A0A096NTN1_PAPAN Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A096NTN1, Species PAPAN (Papio anubis, Olive baboon), Gene ITPKA, Length 461 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	32.6	Very low	39.5	Very low	243 Å²	243	130.3 Å²	130.3	100%	1.197	85%	0.846	S	S	*	*				0	125.8	0	-85.9	170.9	171	0	0	107.9
2	T	39.6	Very low	39	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	85%	0.851	S	S	*	*			trans	-2.6	149.7	168.6	46.1	0	0	0	0	122.4
3	L	38.8	Very low	39.4	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	85%	0.849	S	S	*	*			trans	92.9	157.2	159	-53.5	-180	0	0	0	116.2
4	P	56.9	Low	38.7	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	85%	0.85	S	S	*	*			cis	-130.5	-176.7	-1.5	26.3	-2.2	0	0	0	114.2
5	G	38.3	Very low	38.1	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	85%	0.852	S	S	*	*			trans	-106.9	149.2	176.9	0	0	0	0	0	115.5
6	G	33.4	Very low	37.9	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	85%	0.847	S	S	*	*			trans	60.1	173.6	149.9	0	0	0	0	0	120.8
7	P	61.3	Low	37.5	Very low	118 Å²	118	136.1 Å²	136.1	77%	0.766	85%	0.853	S	S	*	*			cis	-133.5	175.9	-45.6	37.2	-22	0	0	0	111.7
8	T	35.4	Very low	37.6	Very low	146 Å²	146	135.1 Å²	135.1	90%	0.896	85%	0.848	S	S	*	*			trans	147.8	141.6	144.5	45	0	0	0	0	112.9
9	G	33.8	Very low	37.4	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	85%	0.852	S	S	*	*			trans	-93.3	169.3	-177.9	0	0	0	0	0	114.3
10	M	33.3	Very low	37.5	Very low	204 Å²	204	133.8 Å²	133.8	100%	1.005	85%	0.847	S	S	*	*			trans	-164.7	154.2	161.2	-94.1	-101.5	-155.1	0	0	109.3
11	A	31.5	Very low	37.6	Very low	85 Å²	85	133.5 Å²	133.5	70%	0.702	85%	0.846	S	S	*	*			trans	-105.6	145.7	-158.3	0	0	0	0	0	115.3
12	R	33.7	Very low	37.6	Very low	242 Å²	242	125.2 Å²	125.2	91%	0.913	82%	0.823	S	S	*	*			trans	60.1	167	145.6	-71.9	-172.8	174.5	-167.9	-0.7	119
13	P	44.2	Very low	37.7	Very low	126 Å²	126	127.7 Å²	127.7	82%	0.818	83%	0.831	S	S	*	*			cis	-135.9	173.6	-0.5	31.9	-10.1	0	0	0	116.4
14	G	28.8	Very low	37.7	Very low	84 Å²	84	129 Å²	129	87%	0.866	83%	0.832	S	S	*	*			trans	99.9	112.6	131.8	0	0	0	0	0	119.7
15	G	30.2	Very low	37.1	Very low	85 Å²	85	134.5 Å²	134.5	88%	0.876	84%	0.837	S	S	*	*			trans	170.8	101	162.2	0	0	0	0	0	112.8
16	A	34.1	Very low	38	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	83%	0.834	S	S	*	*			trans	-96.5	147.7	-173.1	0	0	0	0	0	113.7
17	R	31.8	Very low	39.1	Very low	248 Å²	248	136.8 Å²	136.8	94%	0.936	83%	0.832	S	S	*	*			trans	159.6	158.5	138.2	-89.6	177.5	-176.5	-157.8	2.6	111.1
18	P	40.1	Very low	38.9	Very low	119 Å²	119	143 Å²	143	77%	0.773	84%	0.84	S	S	*	*				-111.4	143.7	-80	28.9	-9.6	0	0	0	112.7
19	C	32.4	Very low	40.9	Very low	136 Å²	136	143.2 Å²	143.2	92%	0.919	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-78.4	130.4	172.3	-76.2	0	0	0	0	111.6
20	S	40.3	Very low	43	Very low	107 Å²	107	142.9 Å²	142.9	75%	0.748	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.3	150.3	162.1	-50.6	0	0	0	0	111.1	G22	S20-G22 PolarHBondContact O-N 3.32Å
21	P	39.2	Very low	44.5	Very low	129 Å²	129	139.2 Å²	139.2	84%	0.838	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.2	120.2	178.7	26.6	-30.9	0	0	0	109.4	L23	P21-L23 PolarHBondContact O-N 2.84Å
22	G	33.6	Very low	46.5	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.7	125.2	172.3	0	0	0	0	0	109.9	S20 E24	S20-G22 PolarHBondContact O-N 3.32Å; G22-E24 VanDerWaalsContact C-N 3.33Å; G22-E24 PolarHBondContact O-N 2.99Å
23	L	41.7	Very low	48.4	Very low	177 Å²	177	130.4 Å²	130.4	93%	0.927	77%	0.765	S	S	*	*			trans	-60.1	98.2	160.1	-87	150.9	0	0	0	107.6	P21 R25	P21-L23 PolarHBondContact O-N 2.84Å; L23-R25 PolarHBondContact O-N 2.97Å; L23-R25 VanDerWaalsContact O-N 3.13Å
24	E	38.3	Very low	49.6	Very low	190 Å²	190	129.2 Å²	129.2	89%	0.888	75%	0.751	S	S	*	*			trans	-56.3	117.4	166.7	-74.1	-168.7	147.6	0	0	108.4	G22 A26	G22-E24 VanDerWaalsContact C-N 3.33Å; G22-E24 PolarHBondContact O-N 2.99Å; E24-A26 PolarHBondContact O-N 2.79Å; E24-A26 VanDerWaalsContact O-N 3.1Å
25	R	44.4	Very low	51.7	Low	243 Å²	243	133.1 Å²	133.1	92%	0.917	74%	0.74	S	S	*	*			trans	-60.2	113.6	170.2	-102.8	177.2	172.1	175	-0.9	107.7	L23	L23-R25 PolarHBondContact O-N 2.97Å; L23-R25 VanDerWaalsContact O-N 3.13Å
26	A	56.5	Low	53.8	Low	86 Å²	86	134.5 Å²	134.5	71%	0.711	73%	0.727	S	S	*	*			trans	-51.6	137.6	172	0	0	0	0	0	110.2	E24 R28	E24-A26 PolarHBondContact O-N 2.79Å; E24-A26 VanDerWaalsContact O-N 3.1Å; A26-R28 PolarHBondContact O-N 3.45Å
27	P	56.6	Low	55.9	Low	112 Å²	112	133.4 Å²	133.4	73%	0.727	71%	0.708	S	S	*	*			trans	-61.1	136.6	-177.6	22.6	-30.9	0	0	0	110.2	R29	P27-R29 PolarHBondContact O-N 2.82Å
28	R	57.7	Low	57.9	Low	249 Å²	249	128.2 Å²	128.2	94%	0.94	69%	0.692	S	S	*	*			trans	-63.1	107.1	175.3	-78.3	-176.1	166.7	-173.6	-4.5	108.6	A26	A26-R28 PolarHBondContact O-N 3.45Å
29	R	76	Confident	59.7	Low	150 Å²	150	126.7 Å²	126.7	57%	0.566	67%	0.674	S	S	*	*			trans	-69.7	138.7	174.4	-69.8	-176.9	174.7	167.7	-2.1	109.9	P27 E33 L34	P27-R29 PolarHBondContact O-N 2.82Å; R29-E33 VanDerWaalsContact CA-OE2 3.26Å; R29-E33 WeakPolarHBondContact CA-OE2 3.3Å; R29-E33 HydrophobicContact CB-CB 4.15Å; R29-L34 HydrophobicContact CB-CG 4.18Å
30	S	77.9	Confident	61.7	Low	65 Å²	65	123.1 Å²	123.1	46%	0.455	66%	0.655	S	S	.	*			trans	-66.7	159.5	173.6	69.3	0	0	0	0	110.6	G32 E33 L34	S30-G32 PolarHBondContact O-N 2.72Å; S30-E33 PolarHBondContact N-OE2 3.01Å; S30-E33 PolarHBondContact O-N 2.8Å; S30-E33 VanDerWaalsContact O-N 3.09Å; S30-E33 WeakPolarHBondContact OG-CG 3.3Å; S30-E33 PolarHBondContact OG-N 2.95Å; S30-E33 PolarHBondContact OG-OE2 3.47Å; S30-L34 PolarHBondContact O-N 3.41Å; S30-L34 VanDerWaalsContact O-N 3.08Å
31	V	65.3	Low	63.5	Low	126 Å²	126	127.4 Å²	127.4	76%	0.764	65%	0.654	S	S	*	*	H	α-helix	trans	-57.3	-33.7	176.8	179.2	0	0	0	0	111.3	R35	V31-R35 WeakPolarHBondContact O-CB 3.35Å; V31-R35 PolarHBondContact O-N 2.96Å; V31-R35 VanDerWaalsContact O-N 3.08Å
32	G	72.8	Confident	64.7	Low	43 Å²	43	124.2 Å²	124.2	44%	0.443	64%	0.635	S	S	.	*	H	α-helix	trans	-66.2	-41	175.6	0	0	0	0	0	113.3	S30 R35 L36	S30-G32 PolarHBondContact O-N 2.72Å; G32-R35 PolarHBondContact O-N 2.89Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 3.05Å
33	E	74.7	Confident	66.7	Low	99 Å²	99	123.9 Å²	123.9	46%	0.463	63%	0.625	S	S	.	*	H	α-helix	trans	-69	-37.7	177.5	-71.3	169.2	145	0	0	112.1	R29 S30 R35 L36 L37	R29-E33 VanDerWaalsContact CA-OE2 3.26Å; R29-E33 WeakPolarHBondContact CA-OE2 3.3Å; R29-E33 HydrophobicContact CB-CB 4.15Å; S30-E33 PolarHBondContact N-OE2 3.01Å; S30-E33 PolarHBondContact O-N 2.8Å; S30-E33 VanDerWaalsContact O-N 3.09Å; S30-E33 WeakPolarHBondContact OG-CG 3.3Å; S30-E33 PolarHBondContact OG-N 2.95Å; S30-E33 PolarHBondContact OG-OE2 3.47Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-L36 PolarHBondContact O-N 3.23Å; E33-L37 WeakPolarHBondContact O-CB 3.44Å; E33-L37 WeakPolarHBondContact O-CD1 3.24Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.42Å; E33-L37 PolarHBondContact O-N 3.35Å
34	L	69.2	Low	68	Low	101 Å²	101	118.4 Å²	118.4	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-64.2	-39	174.6	-75.9	165.3	0	0	0	111.7	R29 S30 L37 F38	R29-L34 HydrophobicContact CB-CG 4.18Å; S30-L34 PolarHBondContact O-N 3.41Å; S30-L34 VanDerWaalsContact O-N 3.08Å; L34-L37 PolarHBondContact O-N 3.05Å; L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 3.19Å
35	R	73.6	Confident	69.5	Low	166 Å²	166	114.4 Å²	114.4	63%	0.626	59%	0.593	S	S	*	*	H	α-helix	trans	-64.5	-46	175.4	-177.2	175.8	173.2	176.5	0.9	111.9	V31 G32 E33 L37 F38 E39	V31-R35 WeakPolarHBondContact O-CB 3.35Å; V31-R35 PolarHBondContact O-N 2.96Å; V31-R35 VanDerWaalsContact O-N 3.08Å; G32-R35 PolarHBondContact O-N 2.89Å; E33-R35 VanDerWaalsContact C-N 3.33Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.14Å; R35-F38 PolarHBondContact O-N 3.45Å; R35-E39 HydrophobicContact CG-CG 4.49Å; R35-E39 WeakPolarHBondContact CG-OE1 3.45Å; R35-E39 IonicContact CZ-OE1 3.31Å; R35-E39 IonicContact NE-OE1 3.41Å; R35-E39 PolarHBondContact NE-OE1 2.85Å; R35-E39 IonicContact NH2-OE1 2.72Å; R35-E39 WeakPolarHBondContact O-CG 3.31Å; R35-E39 PolarHBondContact O-N 2.81Å
36	L	73.6	Confident	70.3	Confident	114 Å²	114	105.7 Å²	105.7	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-63.3	-38.3	177.6	-74.4	169.8	0	0	0	112.5	G32 E33 F38 A40	G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 3.05Å; E33-L36 PolarHBondContact O-N 3.23Å; L36-F38 VanDerWaalsContact C-N 3.34Å; L36-A40 VanDerWaalsContact O-CB 3.27Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 2.86Å
37	L	78.9	Confident	70.7	Confident	73 Å²	73	104.4 Å²	104.4	38%	0.382	56%	0.563	S	S	.	*	H	α-helix	trans	-66.8	-36.7	175.1	-76.2	161	0	0	0	112.7	E33 L34 R35 R41	E33-L37 WeakPolarHBondContact O-CB 3.44Å; E33-L37 WeakPolarHBondContact O-CD1 3.24Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.42Å; E33-L37 PolarHBondContact O-N 3.35Å; L34-L37 PolarHBondContact O-N 3.05Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.14Å; L37-R41 WeakPolarHBondContact O-CG 3.06Å; L37-R41 PolarHBondContact O-N 2.81Å; L37-R41 VanDerWaalsContact O-N 3.07Å
38	F	73.2	Confident	71.1	Confident	138 Å²	138	102.5 Å²	102.5	61%	0.605	56%	0.557	S	S	*	*	H	α-helix	trans	-67.9	-48.4	175.8	-176.4	-98.5	0	0	0	110.9	L34 R35 L36 A40 R41 C42	L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 3.19Å; R35-F38 PolarHBondContact O-N 3.45Å; L36-F38 VanDerWaalsContact C-N 3.34Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.42Å; F38-R41 PolarHBondContact O-N 3.17Å; F38-R41 VanDerWaalsContact O-N 3.14Å; F38-C42 PolarHBondContact O-N 2.85Å; F38-C42 PolarHBondContact O-SG 3.49Å; F38-C42 VanDerWaalsContact O-SG 3.4Å
39	E	78.2	Confident	71.3	Confident	87 Å²	87	94.7 Å²	94.7	41%	0.407	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-41.6	176.8	-72.7	172.4	-175.6	0	0	111.4	R35 R41 C42 A43	R35-E39 HydrophobicContact CG-CG 4.49Å; R35-E39 WeakPolarHBondContact CG-OE1 3.45Å; R35-E39 IonicContact CZ-OE1 3.31Å; R35-E39 IonicContact NE-OE1 3.41Å; R35-E39 PolarHBondContact NE-OE1 2.85Å; R35-E39 IonicContact NH2-OE1 2.72Å; R35-E39 WeakPolarHBondContact O-CG 3.31Å; R35-E39 PolarHBondContact O-N 2.81Å; E39-R41 PolarHBondContact O-N 3.44Å; E39-C42 PolarHBondContact O-N 3.22Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.45Å
40	A	74.8	Confident	70.6	Confident	61 Å²	61	91.7 Å²	91.7	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-38	175.3	0	0	0	0	0	113.1	L36 F38 A44	L36-A40 VanDerWaalsContact O-CB 3.27Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 2.86Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.42Å; A40-A44 WeakPolarHBondContact O-CB 3.29Å; A40-A44 PolarHBondContact O-N 3.15Å
41	R	76.7	Confident	69.8	Low	197 Å²	197	91.9 Å²	91.9	74%	0.743	56%	0.558	S	S	*	*	H	α-helix	trans	-68.2	-41.4	175	-79.7	-178.4	112	-170.8	3	111.8	L37 F38 E39 A43 A44 V45	L37-R41 WeakPolarHBondContact O-CG 3.06Å; L37-R41 PolarHBondContact O-N 2.81Å; L37-R41 VanDerWaalsContact O-N 3.07Å; F38-R41 PolarHBondContact O-N 3.17Å; F38-R41 VanDerWaalsContact O-N 3.14Å; E39-R41 PolarHBondContact O-N 3.44Å; R41-A43 VanDerWaalsContact C-N 3.35Å; R41-A44 PolarHBondContact O-N 3.49Å; R41-V45 WeakPolarHBondContact O-CG2 3.42Å; R41-V45 PolarHBondContact O-N 2.9Å
42	C	65.8	Low	69.3	Low	63 Å²	63	89.4 Å²	89.4	43%	0.426	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-42.4	175.6	-69.9	0	0	0	0	111.5	F38 E39 A44 V45 A46	F38-C42 PolarHBondContact O-N 2.85Å; F38-C42 PolarHBondContact O-SG 3.49Å; F38-C42 VanDerWaalsContact O-SG 3.4Å; E39-C42 PolarHBondContact O-N 3.22Å; C42-A44 PolarHBondContact O-N 3.16Å; C42-V45 PolarHBondContact O-N 3.01Å; C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 2.72Å
43	A	75.3	Confident	67.8	Low	61 Å²	61	96 Å²	96	50%	0.504	58%	0.577	S	S	.	*	H	α-helix	trans	-63.3	-39.9	175.6	0	0	0	0	0	112.4	E39 R41 A46 A47	E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.45Å; R41-A43 VanDerWaalsContact C-N 3.35Å; A43-A46 PolarHBondContact O-N 2.65Å; A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 3.4Å
44	A	69.2	Low	66.3	Low	62 Å²	62	96.7 Å²	96.7	51%	0.512	59%	0.591	S	S	.	*	H	α-helix	trans	-66.5	-38.7	177.2	0	0	0	0	0	112.8	A40 R41 C42 A47 A48	A40-A44 WeakPolarHBondContact O-CB 3.29Å; A40-A44 PolarHBondContact O-N 3.15Å; R41-A44 PolarHBondContact O-N 3.49Å; C42-A44 PolarHBondContact O-N 3.16Å; A44-A47 PolarHBondContact O-N 2.82Å; A44-A48 WeakPolarHBondContact O-CB 3.07Å; A44-A48 PolarHBondContact O-N 2.85Å
45	V	69.2	Low	64.9	Low	106 Å²	106	104 Å²	104	64%	0.642	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-41	175.6	173.6	0	0	0	0	111	R41 C42 A48 A49	R41-V45 WeakPolarHBondContact O-CG2 3.42Å; R41-V45 PolarHBondContact O-N 2.9Å; C42-V45 PolarHBondContact O-N 3.01Å; V45-A48 PolarHBondContact O-N 3.16Å; V45-A49 PolarHBondContact O-N 3.34Å
46	A	60.8	Low	63	Low	61 Å²	61	100.9 Å²	100.9	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-64.7	-39.9	175	0	0	0	0	0	112.1	C42 A43 A49 A50	C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 2.72Å; A43-A46 PolarHBondContact O-N 2.65Å; A46-A49 PolarHBondContact O-N 2.81Å; A46-A50 WeakPolarHBondContact O-CB 3.15Å; A46-A50 PolarHBondContact O-N 3.14Å
47	A	65.7	Low	61.2	Low	58 Å²	58	107.3 Å²	107.3	48%	0.479	64%	0.637	S	S	.	*	H	α-helix	trans	-66.2	-39.1	175.6	0	0	0	0	0	112.3	A43 A44 A49 A50 A51	A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 3.4Å; A44-A47 PolarHBondContact O-N 2.82Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A50 PolarHBondContact O-N 2.79Å; A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 3.44Å
48	A	64.9	Low	59	Low	72 Å²	72	107.9 Å²	107.9	60%	0.595	66%	0.66	S	S	*	*	H	α-helix	trans	-68.1	-31.2	175.2	0	0	0	0	0	112.9	A44 V45	A44-A48 WeakPolarHBondContact O-CB 3.07Å; A44-A48 PolarHBondContact O-N 2.85Å; V45-A48 PolarHBondContact O-N 3.16Å
49	A	61.4	Low	57.1	Low	85 Å²	85	106 Å²	106	70%	0.702	67%	0.671	S	S	*	*	H	α-helix	trans	-74.5	-31.2	173.6	0	0	0	0	0	112.6	V45 A46 A47	V45-A49 PolarHBondContact O-N 3.34Å; A46-A49 PolarHBondContact O-N 2.81Å; A47-A49 VanDerWaalsContact C-N 3.33Å
50	A	62.5	Low	55.1	Low	88 Å²	88	112.1 Å²	112.1	73%	0.727	70%	0.696	S	S	*	*	H	α-helix	trans	-79.5	-32.5	177.4	0	0	0	0	0	113	A46 A47 G52	A46-A50 WeakPolarHBondContact O-CB 3.15Å; A46-A50 PolarHBondContact O-N 3.14Å; A47-A50 PolarHBondContact O-N 2.79Å; A50-G52 VanDerWaalsContact C-N 3.26Å; A50-G52 PolarHBondContact O-N 3.09Å
51	A	60.5	Low	53.3	Low	68 Å²	68	120.4 Å²	120.4	56%	0.562	71%	0.714	S	S	*	*	S	Bend	trans	-82.9	67.9	174	0	0	0	0	0	110.6	A47 E53	A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 3.44Å; A51-E53 PolarHBondContact O-N 3.25Å; A51-E53 VanDerWaalsContact O-N 3.07Å
52	G	54.2	Low	51.2	Low	74 Å²	74	122.7 Å²	122.7	76%	0.763	72%	0.723	S	S	*	*			trans	-62.2	109.2	173.6	0	0	0	0	0	111	A50	A50-G52 VanDerWaalsContact C-N 3.26Å; A50-G52 PolarHBondContact O-N 3.09Å
53	E	42.3	Very low	49.5	Very low	181 Å²	181	123.6 Å²	123.6	85%	0.846	74%	0.743	S	S	*	*			trans	-117.8	150.6	170.8	-88.8	-141	155.8	0	0	113.5	A51	A51-E53 PolarHBondContact O-N 3.25Å; A51-E53 VanDerWaalsContact O-N 3.07Å
54	P	43.3	Very low	47.3	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	76%	0.756	S	S	*	*			trans	-93.8	136.5	-153.9	34.2	-28.5	0	0	0	112.7	A56	P54-A56 PolarHBondContact O-N 3.05Å
55	R	37.9	Very low	45.5	Very low	254 Å²	254	130.8 Å²	130.8	96%	0.958	78%	0.776	S	S	*	*			trans	-71.1	111.1	169.7	-93.1	-177	165.8	-177.2	-3.4	110.8
56	A	35	Very low	43.8	Very low	100 Å²	100	131.8 Å²	131.8	83%	0.826	78%	0.782	S	S	*	*			trans	-62.8	140.5	170.7	0	0	0	0	0	112.4	P54	P54-A56 PolarHBondContact O-N 3.05Å
57	R	35.7	Very low	43.1	Very low	250 Å²	250	134.5 Å²	134.5	94%	0.943	79%	0.794	S	S	*	*			trans	-71.6	136.8	175.4	-67.9	176.1	178.5	-173.7	-1.1	111.3
58	G	31.9	Very low	41.7	Very low	84 Å²	84	139.3 Å²	139.3	87%	0.866	81%	0.812	S	S	*	*			trans	-133.7	102.2	159.1	0	0	0	0	0	109.5
59	A	34.3	Very low	40	Very low	100 Å²	100	139.4 Å²	139.4	83%	0.826	82%	0.82	S	S	*	*			trans	-109.4	138.7	174.5	0	0	0	0	0	110.4
60	K	35.8	Very low	38.8	Very low	214 Å²	214	143.4 Å²	143.4	93%	0.93	83%	0.829	S	S	*	*			trans	-131.7	117.6	153.3	-101.2	-175.9	178.4	177.4	0	110.3
61	R	36.5	Very low	37.8	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	83%	0.83	S	S	*	*			trans	-14.9	155.7	160.4	-58.1	176	166.8	-149	-4.1	117.2
62	R	33.3	Very low	36.5	Very low	244 Å²	244	153.1 Å²	153.1	92%	0.921	85%	0.847	S	S	*	*			cis	-158.3	161	39.6	-70.1	173.3	165.9	-165.8	-5.3	107.1
63	G	29.9	Very low	35.8	Very low	82 Å²	82	153.8 Å²	153.8	85%	0.845	85%	0.845	S	S	*	*			cis	165.6	158.6	7.2	0	0	0	0	0	107.3
64	G	29.1	Very low	35.8	Very low	77 Å²	77	150.7 Å²	150.7	79%	0.794	84%	0.841	S	S	*	*			trans	136.3	93.3	164.5	0	0	0	0	0	117.2
65	Q	31.6	Very low	35.7	Very low	197 Å²	197	151.1 Å²	151.1	92%	0.921	84%	0.844	S	S	*	*			trans	47.8	123.2	145.1	-88.2	161.9	-13	0	0	123.2
66	V	33.5	Very low	35.6	Very low	127 Å²	127	143.6 Å²	143.6	77%	0.77	84%	0.836	S	S	*	*			trans	-97.5	154.7	157	-173.4	0	0	0	0	107.7
67	P	46.8	Very low	35.4	Very low	118 Å²	118	150.4 Å²	150.4	77%	0.766	84%	0.84	S	S	*	*				-140.4	138.8	105.3	31	-13.7	0	0	0	115.4
68	N	34.8	Very low	35.4	Very low	159 Å²	159	145 Å²	145	85%	0.85	84%	0.835	S	S	*	*			trans	40.5	122.5	144	-69.4	-12.5	0	0	0	122.1
69	G	30.2	Very low	35.5	Very low	74 Å²	74	148 Å²	148	76%	0.763	83%	0.829	S	S	*	*			trans	161.4	100.6	150.3	0	0	0	0	0	113.9
70	L	36.3	Very low	35.4	Very low	170 Å²	170	148.9 Å²	148.9	89%	0.89	83%	0.827	S	S	*	*			trans	-146.5	160.2	160.6	-86.9	-179.8	0	0	0	107.9
71	P	41.7	Very low	35.1	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	82%	0.822	S	S	*	*			cis	-133.9	162.6	4.4	30.5	-10	0	0	0	114.5
72	R	32.3	Very low	34.6	Very low	244 Å²	244	143.8 Å²	143.8	92%	0.921	82%	0.82	S	S	*	*			trans	-149.2	112.9	150	-149.2	170.7	172.6	177.7	-3.2	111.2
73	A	39.5	Very low	34.4	Very low	88 Å²	88	138.1 Å²	138.1	73%	0.727	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.5	145.2	172.1	0	0	0	0	0	110.6
74	P	42.9	Very low	34.2	Very low	117 Å²	117	139.9 Å²	139.9	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.6	146.3	167.6	31.4	-30.4	0	0	0	110.8
75	P	40.5	Very low	34.1	Very low	124 Å²	124	142.6 Å²	142.6	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.3	141.5	-173.4	28.9	-33.3	0	0	0	112.9
76	A	35.6	Very low	33.9	Very low	95 Å²	95	137.3 Å²	137.3	79%	0.785	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.6	142.7	170.4	0	0	0	0	0	111.4
77	R	31.7	Very low	33.8	Very low	243 Å²	243	140 Å²	140	92%	0.917	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.2	134	175.7	-71.5	-178.1	175	-171.9	-2	110.4
78	V	35.5	Very low	33	Very low	138 Å²	138	143 Å²	143	84%	0.836	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.7	124.5	179.8	176.4	0	0	0	0	110.2
79	I	33.2	Very low	33.3	Very low	145 Å²	145	140 Å²	140	74%	0.744	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-90.4	118.8	165.3	-59.6	170.7	0	0	0	106.4	Q81	I79-Q81 PolarHBondContact O-N 3.15Å
80	P	32.5	Very low	33.5	Very low	120 Å²	120	144.5 Å²	144.5	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.2	116.6	169.5	26.4	-28.3	0	0	0	109.4
81	Q	29.5	Very low	33.5	Very low	180 Å²	180	143 Å²	143	84%	0.841	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.3	171.7	-74	-163.4	-19.8	0	0	110.4	I79 T83	I79-Q81 PolarHBondContact O-N 3.15Å; Q81-T83 PolarHBondContact O-N 3.02Å
82	L	26.3	Very low	33.6	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	80%	0.798	S	S	*	*			trans	-70.9	115.7	169.1	-171.4	75.4	0	0	0	108.9	V84	L82-V84 PolarHBondContact O-N 3.35Å
83	T	28.7	Very low	34	Very low	125 Å²	125	136.7 Å²	136.7	77%	0.767	79%	0.791	S	S	*	*			trans	-79.8	117	173.4	-47.1	0	0	0	0	109.3	Q81	Q81-T83 PolarHBondContact O-N 3.02Å
84	V	25.3	Very low	33.7	Very low	120 Å²	120	139.1 Å²	139.1	73%	0.727	80%	0.797	S	S	*	*			trans	-87.8	124.1	169.7	175.3	0	0	0	0	108.1	L82	L82-V84 PolarHBondContact O-N 3.35Å
85	T	28	Very low	33.5	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	80%	0.797	S	S	*	*			trans	-124.7	126.6	157.9	48.2	0	0	0	0	108
86	A	27.9	Very low	33.8	Very low	86 Å²	86	139 Å²	139	71%	0.711	80%	0.799	S	S	*	*			trans	-110	160.7	179.6	0	0	0	0	0	110.7
87	E	29.9	Very low	33.7	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	80%	0.796	S	S	*	*			trans	99.8	91.3	162.9	-51.3	-161.2	149.7	0	0	118.1
88	E	31.8	Very low	34.3	Very low	179 Å²	179	132 Å²	132	84%	0.836	79%	0.789	S	S	*	*				34.5	168.1	109	-63.4	-81.3	129.5	0	0	120.3
89	P	40.6	Very low	34.9	Very low	98 Å²	98	131.7 Å²	131.7	64%	0.636	79%	0.79	S	S	*	*				-131.7	166.9	-55	36.2	-19.5	0	0	0	112.5
90	D	33	Very low	34.8	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	79%	0.793	S	S	*	*			trans	-167	152.6	148.7	-107	-27.3	0	0	0	114.6
91	V	37.8	Very low	34.9	Very low	137 Å²	137	136.8 Å²	136.8	83%	0.83	79%	0.792	S	S	*	*			trans	-90.8	166.1	-157.2	162	0	0	0	0	113.4
92	P	42.7	Very low	34.9	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	80%	0.797	S	S	*	*			trans	-104.5	-176.1	-146.3	42.2	-36.2	0	0	0	115.9
93	P	41.8	Very low	35.3	Very low	118 Å²	118	140 Å²	140	77%	0.766	79%	0.794	S	S	*	*			trans	-134.1	126.5	144.1	32.5	-15.3	0	0	0	115.7
94	T	32.8	Very low	35.3	Very low	138 Å²	138	142 Å²	142	85%	0.847	80%	0.8	S	S	*	*				44.8	122.5	127	-20.1	0	0	0	0	122.7
95	S	39.4	Very low	35.5	Very low	109 Å²	109	142 Å²	142	76%	0.762	80%	0.803	S	S	*	*			trans	-68.9	168.1	164.2	-47.7	0	0	0	0	114.5
96	P	45.9	Very low	35.6	Very low	130 Å²	130	143.5 Å²	143.5	84%	0.844	81%	0.805	S	S	*	*			trans	-126.8	141.3	133.3	13.9	6.5	0	0	0	112.8
97	G	33.8	Very low	36.5	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	81%	0.807	S	S	*	*			trans	-81.8	-175.8	-179.1	0	0	0	0	0	115.5
98	P	44.8	Very low	36.4	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-91.8	160.6	-170.9	36.1	-32.8	0	0	0	113.2
99	P	47.4	Very low	36.3	Very low	131 Å²	131	137.1 Å²	137.1	85%	0.851	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.8	151.4	175.5	34.2	-31.3	0	0	0	113.1
100	E	31.4	Very low	35.6	Very low	171 Å²	171	135.6 Å²	135.6	80%	0.799	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85.8	150.1	-180	-71.6	-172.1	111.1	0	0	114.6
101	R	34	Very low	35.6	Very low	201 Å²	201	133.6 Å²	133.6	76%	0.758	81%	0.807	S	S	*	*			trans	34.4	130.6	136.6	-63.3	-174.2	169.4	-168.5	0.5	121.4
102	E	30.5	Very low	35.2	Very low	202 Å²	202	132.1 Å²	132.1	94%	0.944	80%	0.802	S	S	*	*			trans	-136.1	135.5	131.3	-91.5	177.9	157.7	0	0	110.7
103	R	33.2	Very low	34.7	Very low	209 Å²	209	134.5 Å²	134.5	79%	0.789	80%	0.804	S	S	*	*			trans	-91.7	148.4	169.2	-78.5	175.8	162.1	-158.3	-4.3	107.3
104	D	29.2	Very low	34.3	Very low	167 Å²	167	135.1 Å²	135.1	89%	0.893	80%	0.8	S	S	*	*			trans	-158.5	153.1	138.9	-98.8	-26.4	0	0	0	113.3
105	C	29.7	Very low	34.4	Very low	118 Å²	118	137.4 Å²	137.4	80%	0.797	80%	0.801	S	S	*	*			trans	-89.4	165.1	-160.3	-67.2	0	0	0	0	115.1
106	L	30.4	Very low	34	Very low	166 Å²	166	140.8 Å²	140.8	87%	0.869	81%	0.805	S	S	*	*			trans	-35.4	178.9	163.9	-53.8	169.7	0	0	0	116.3
107	P	45.8	Very low	33.8	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	80%	0.796	S	S	*	*			cis	-151	-178.5	15	42	-19.4	0	0	0	119.3
108	A	28.5	Very low	33.8	Very low	92 Å²	92	148.3 Å²	148.3	76%	0.76	81%	0.808	S	S	*	*			trans	89.6	131.1	134.4	0	0	0	0	0	124.2
109	A	29.1	Very low	33	Very low	109 Å²	109	153 Å²	153	90%	0.901	81%	0.81	S	S	*	*			trans	70.9	138.8	145.3	0	0	0	0	0	119.1
110	G	26	Very low	32.1	Very low	67 Å²	67	154.7 Å²	154.7	69%	0.691	81%	0.811	S	S	*	*			cis	167.6	158.4	2.1	0	0	0	0	0	110.4
111	S	32.8	Very low	32	Very low	125 Å²	125	150.8 Å²	150.8	87%	0.874	80%	0.803	S	S	*	*			trans	65.9	149	163.5	-74.6	0	0	0	0	118.5
112	S	30	Very low	31.7	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	80%	0.802	S	S	*	*			cis	179.9	143.9	-3.9	43.6	0	0	0	0	103.4
113	H	33.2	Very low	31.6	Very low	160 Å²	160	142.3 Å²	142.3	74%	0.741	79%	0.791	S	S	*	*				159.1	137.3	74.8	-163.8	0.7	0	0	0	109
114	L	32.6	Very low	31.3	Very low	132 Å²	132	137.3 Å²	137.3	69%	0.691	79%	0.789	S	S	*	*			trans	63.9	128.7	154	-82.4	161.8	0	0	0	119
115	Q	34.1	Very low	31.3	Very low	185 Å²	185	135.7 Å²	135.7	86%	0.864	78%	0.784	S	S	*	*			cis	-154.7	147.7	44	-99.7	157.6	16.6	0	0	111.8
116	Q	32.3	Very low	31.3	Very low	181 Å²	181	136 Å²	136	85%	0.846	79%	0.788	S	S	*	*			trans	-84.3	-171.6	176.3	-82.4	-175	-13.8	0	0	112.7
117	P	40.8	Very low	31.2	Very low	103 Å²	103	133.4 Å²	133.4	67%	0.669	78%	0.783	S	S	*	*			cis	-138.1	162.7	-42	33.9	-16.8	0	0	0	113.6
118	R	33.1	Very low	30.4	Very low	255 Å²	255	134.8 Å²	134.8	96%	0.962	79%	0.79	S	S	*	*			trans	-141	131.7	135.4	-78.9	-161.5	175.9	130.2	0.6	111.3
119	R	29.4	Very low	30.4	Very low	219 Å²	219	134.1 Å²	134.1	83%	0.826	79%	0.792	S	S	*	*			trans	-48.4	146.5	178.3	-69	166.2	167.2	-108.3	0.9	111.9
120	L	27.6	Very low	30.4	Very low	167 Å²	167	134.6 Å²	134.6	87%	0.874	79%	0.788	S	S	*	*				-149.2	120.5	72.5	-64.9	160	0	0	0	108.3
121	S	30	Very low	30.4	Very low	89 Å²	89	137.2 Å²	137.2	62%	0.622	80%	0.796	S	S	*	*				33	124.8	84.3	-58.1	0	0	0	0	114.2
122	T	27.7	Very low	30.3	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	79%	0.791	S	S	*	*			cis	-172.1	137.9	14.5	16.5	0	0	0	0	109.4
123	S	28.3	Very low	30.2	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	80%	0.797	S	S	*	*			trans	47	105.5	142	60.9	0	0	0	0	122.6
124	S	27	Very low	30.2	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	80%	0.802	S	S	*	*				34.4	127.5	104	-48	0	0	0	0	122.9
125	V	30.1	Very low	30.2	Very low	133 Å²	133	142.3 Å²	142.3	81%	0.806	81%	0.812	S	S	*	*			trans	63.7	116	133.3	-53.9	0	0	0	0	120.8
126	S	28.1	Very low	30.2	Very low	124 Å²	124	140.2 Å²	140.2	87%	0.867	81%	0.807	S	S	*	*				-167.9	150.4	101.3	-75.5	0	0	0	0	112.1
127	S	28.1	Very low	30.5	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	80%	0.796	S	S	*	*			trans	-92.3	136.1	-168.7	44.8	0	0	0	0	114.2
128	T	30.4	Very low	30.2	Very low	144 Å²	144	137.8 Å²	137.8	88%	0.883	80%	0.796	S	S	*	*			trans	-156.4	111.5	146.1	44.5	0	0	0	0	104.3
129	G	28.3	Very low	30.4	Very low	77 Å²	77	131.7 Å²	131.7	79%	0.794	78%	0.783	S	S	*	*				85.4	63.7	60.7	0	0	0	0	0	109.7
130	S	27.7	Very low	30.8	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	77%	0.766	S	S	*	*			trans	-161.3	101.3	161	-79.9	0	0	0	0	109.4	S132	S130-S132 PolarHBondContact O-N 3.01Å
131	S	27.1	Very low	31.1	Very low	122 Å²	122	124.6 Å²	124.6	85%	0.853	76%	0.761	S	S	*	*			trans	-65.9	103.5	167.2	41	0	0	0	0	109.7	L133	S131-L133 PolarHBondContact O-N 3.09Å
132	S	30	Very low	31.5	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	75%	0.752	S	S	*	*			trans	-81.7	104.2	162.9	52.7	0	0	0	0	108.3	S130 L134	S130-S132 PolarHBondContact O-N 3.01Å; S132-L134 PolarHBondContact O-N 3.46Å
133	L	27.8	Very low	32	Very low	165 Å²	165	120.4 Å²	120.4	86%	0.864	73%	0.73	S	S	*	*			trans	-44.2	124.4	160.3	-87	153.6	0	0	0	108.9	S131 E135	S131-L133 PolarHBondContact O-N 3.09Å; L133-E135 PolarHBondContact O-N 2.9Å; L133-E135 VanDerWaalsContact O-N 3.15Å
134	L	33.8	Very low	32.6	Very low	161 Å²	161	117.3 Å²	117.3	84%	0.843	71%	0.706	S	S	*	*			trans	-60.8	112.2	165	-64.4	164.8	0	0	0	106.6	S132 D136	S132-L134 PolarHBondContact O-N 3.46Å; L134-D136 PolarHBondContact O-N 3.27Å
135	E	31.7	Very low	33.9	Very low	194 Å²	194	114.6 Å²	114.6	91%	0.907	69%	0.687	S	S	*	*			trans	-66.8	84	159.9	-83.1	-174.6	132.2	0	0	107.3	L133	L133-E135 PolarHBondContact O-N 2.9Å; L133-E135 VanDerWaalsContact O-N 3.15Å
136	D	34.1	Very low	34.7	Very low	140 Å²	140	111.3 Å²	111.3	75%	0.749	66%	0.663	S	S	*	*			trans	-101.6	92.9	168.3	-176.3	40.1	0	0	0	106.2	L134	L134-D136 PolarHBondContact O-N 3.27Å
137	S	40.4	Very low	35	Very low	87 Å²	87	110 Å²	110	61%	0.608	65%	0.654	S	S	*	*			trans	163.1	81.1	155.5	175.1	0	0	0	0	112.8
138	E	33.2	Very low	35.2	Very low	147 Å²	147	115.6 Å²	115.6	69%	0.687	66%	0.658	S	S	*	*	S	Bend	trans	-136	-14	153.3	52.5	-166.8	107.8	0	0	114.5	D140	E138-D140 PolarHBondContact O-N 2.72Å
139	D	36.8	Very low	35.2	Very low	126 Å²	126	113.5 Å²	113.5	67%	0.674	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-75.1	-20.4	178.4	-77	-37.3	0	0	0	115	L141 L142	D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 PolarHBondContact O-N 2.84Å; D139-L142 PolarHBondContact O-N 2.89Å; D139-L142 VanDerWaalsContact O-N 3.14Å
140	D	39.3	Very low	35.2	Very low	90 Å²	90	120.2 Å²	120.2	48%	0.481	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-74.2	-13.5	-179.2	-92.1	-17.5	0	0	0	113.9	E138 K283	E138-D140 PolarHBondContact O-N 2.72Å; D140-K283 IonicContact OD2-NZ 2.65Å; D140-K283 PolarHBondContact OD2-NZ 2.84Å
141	L	34.4	Very low	35.2	Very low	147 Å²	147	118.6 Å²	118.6	77%	0.77	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-85.5	-13	172.3	-62.5	-179.3	0	0	0	112.3	D139	D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 PolarHBondContact O-N 2.84Å
142	L	37.1	Very low	35.1	Very low	82 Å²	82	119.7 Å²	119.7	43%	0.429	65%	0.649	S	S	.	*	S	Bend	trans	-92.8	-0	-175	-53.5	-177.1	0	0	0	113.3	D139 H194	D139-L142 PolarHBondContact O-N 2.89Å; D139-L142 VanDerWaalsContact O-N 3.14Å; L142-H194 PolarHBondContact O-CE1 3.34Å
143	S	39	Very low	35	Very low	42 Å²	42	120.3 Å²	120.3	29%	0.294	65%	0.647	S	S	.	*	S	Bend	trans	-113.8	9.2	-172.9	-161.7	0	0	0	0	116.2	K312 K419	S143-K312 PolarHBondContact OG-NZ 2.87Å; S143-K419 VanDerWaalsContact OG-CE 3.3Å; S143-K419 WeakPolarHBondContact OG-CE 3.35Å
144	D	40.2	Very low	35	Very low	37 Å²	37	119.3 Å²	119.3	20%	0.198	64%	0.638	C	S	.	*			trans	-142.8	89.1	178.7	-90.8	-47.4	0	0	0	115.4	H194 R285 M288 K312	D144-H194 PolarHBondContact O-NE2 3.19Å; D144-R285 VanDerWaalsContact CB-NH2 3.29Å; D144-R285 IonicContact OD2-CZ 3.29Å; D144-R285 IonicContact OD2-NH1 3.24Å; D144-R285 PolarHBondContact OD2-NH1 2.81Å; D144-R285 IonicContact OD2-NH2 3.25Å; D144-R285 PolarHBondContact OD2-NH2 3.25Å; D144-M288 HydrophobicContact CB-CE 4.36Å; D144-M288 WeakPolarHBondContact OD1-CE 3.21Å; D144-M288 WeakPolarHBondContact OD2-CE 3.45Å; D144-K312 WeakPolarHBondContact OD2-CD 3.3Å; D144-K312 VanDerWaalsContact OD2-CE 3.23Å; D144-K312 WeakPolarHBondContact OD2-CE 3.43Å; D144-K312 IonicContact OD2-NZ 2.68Å
145	S	54.8	Low	34.6	Very low	48 Å²	48	118.8 Å²	118.8	34%	0.336	64%	0.635	S	S	.	*			trans	-84.1	104.1	169.4	49.7	0	0	0	0	110.3	H194	S145-H194 WeakPolarHBondContact CA-CD2 3.31Å; S145-H194 WeakPolarHBondContact CA-NE2 3.42Å; S145-H194 WeakPolarHBondContact CB-CD2 3.32Å; S145-H194 PolarHBondContact N-NE2 3.11Å
146	E	46.5	Very low	34.2	Very low	63 Å²	63	117.1 Å²	117.1	29%	0.294	63%	0.628	S	S	.	*				-159.7	83.8	129.4	-31.2	177.6	126	0	0	108.8	K291 R319	E146-K291 VanDerWaalsContact O-CE 3.29Å; E146-K291 WeakPolarHBondContact O-CE 3.47Å; E146-K291 PolarHBondContact O-NZ 2.82Å; E146-K291 WeakPolarHBondContact OE2-CD 3.39Å; E146-K291 WeakPolarHBondContact OE2-CE 3.37Å; E146-K291 IonicContact OE2-NZ 3.18Å; E146-K291 PolarHBondContact OE2-NZ 2.65Å; E146-K291 VanDerWaalsContact OE2-NZ 3.11Å; E146-R319 IonicContact OE1-NH1 3.43Å; E146-R319 PolarHBondContact OE1-NH1 3.1Å; E146-R319 VanDerWaalsContact OE1-NH1 3.17Å; E146-R319 IonicContact OE1-NH2 2.84Å; E146-R319 IonicContact OE2-NH1 2.98Å
147	S	34.1	Very low	33.9	Very low	97 Å²	97	114.5 Å²	114.5	68%	0.678	63%	0.625	S	S	*	*	S	Bend	trans	-141.4	110	165.1	-78.8	0	0	0	0	107.1
148	R	31.6	Very low	33.2	Very low	229 Å²	229	114 Å²	114	86%	0.864	63%	0.633	S	S	*	*			trans	98.4	29.6	176	-53.9	-178	171.4	-174.3	-1.6	119	R150	R148-R150 PolarHBondContact O-N 2.94Å
149	S	31.6	Very low	32.8	Very low	100 Å²	100	116.1 Å²	116.1	70%	0.699	64%	0.643	S	S	*	*			trans	-78.3	58.3	162.3	-49.3	0	0	0	0	112
150	R	27.5	Very low	32.4	Very low	218 Å²	218	117.6 Å²	117.6	82%	0.823	65%	0.651	S	S	*	*	S	Bend	trans	-87.9	115.3	138.3	-81	-177.5	162	174.7	-4.7	103	R148 N152	R148-R150 PolarHBondContact O-N 2.94Å; R150-N152 VanDerWaalsContact C-N 3.31Å; R150-N152 PolarHBondContact O-N 2.85Å
151	G	27.7	Very low	31.9	Very low	84 Å²	84	119.2 Å²	119.2	87%	0.866	67%	0.665	S	S	*	*			trans	-51.1	97.9	178.4	0	0	0	0	0	109.9
152	N	25.2	Very low	31.5	Very low	146 Å²	146	115.6 Å²	115.6	78%	0.781	66%	0.662	S	S	*	*			trans	-98.4	114.7	172.6	-98.1	1.9	0	0	0	105.7	R150 Q154	R150-N152 VanDerWaalsContact C-N 3.31Å; R150-N152 PolarHBondContact O-N 2.85Å; N152-Q154 PolarHBondContact O-N 3.27Å
153	V	27.5	Very low	31	Very low	123 Å²	123	120.8 Å²	120.8	75%	0.745	68%	0.684	S	S	*	*			trans	-67.4	96.7	166.5	-176.2	0	0	0	0	106.5	L155	V153-L155 HydrophobicContact CG1-CD1 4.43Å; V153-L155 HydrophobicContact CG1-CG 3.97Å; V153-L155 PolarHBondContact O-N 2.72Å
154	Q	27.7	Very low	30.6	Very low	145 Å²	145	128.5 Å²	128.5	68%	0.678	71%	0.713	S	S	*	*			trans	-83.9	95.3	170	-169.4	145.9	-12.9	0	0	108.4	N152 E156	N152-Q154 PolarHBondContact O-N 3.27Å; Q154-E156 HydrophobicContact CG-CG 4.44Å; Q154-E156 PolarHBondContact NE2-OE1 2.77Å; Q154-E156 PolarHBondContact O-N 2.8Å
155	L	25.7	Very low	30.1	Very low	149 Å²	149	131.7 Å²	131.7	78%	0.78	74%	0.738	S	S	*	*			trans	-76.3	93.5	168.7	-75.1	159.5	0	0	0	108.2	V153 A157	V153-L155 HydrophobicContact CG1-CD1 4.43Å; V153-L155 HydrophobicContact CG1-CG 3.97Å; V153-L155 PolarHBondContact O-N 2.72Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.44Å; L155-A157 VanDerWaalsContact O-N 3.09Å
156	E	24.9	Very low	29	Very low	160 Å²	160	137.8 Å²	137.8	75%	0.748	76%	0.761	S	S	*	*			trans	-75	92.1	159.9	-68.3	-78.9	137.1	0	0	106.9	Q154 G158	Q154-E156 HydrophobicContact CG-CG 4.44Å; Q154-E156 PolarHBondContact NE2-OE1 2.77Å; Q154-E156 PolarHBondContact O-N 2.8Å; E156-G158 PolarHBondContact O-N 2.71Å
157	A	26.5	Very low	28	Very low	84 Å²	84	145.4 Å²	145.4	69%	0.694	79%	0.787	S	S	*	*			trans	-76.6	112.4	164.1	0	0	0	0	0	106.9	L155 E159	L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.44Å; L155-A157 VanDerWaalsContact O-N 3.09Å; A157-E159 PolarHBondContact O-N 3.4Å; A157-E159 VanDerWaalsContact O-N 3.14Å
158	G	26.3	Very low	28	Very low	76 Å²	76	150.2 Å²	150.2	78%	0.784	80%	0.799	S	S	*	*			trans	-51	122.6	173	0	0	0	0	0	110.3	E156 D160	E156-G158 PolarHBondContact O-N 2.71Å; G158-D160 PolarHBondContact O-N 2.62Å
159	E	25.1	Very low	28.4	Very low	192 Å²	192	148 Å²	148	90%	0.897	80%	0.795	S	S	*	*			trans	-65.1	102.7	174.2	-69.5	-179.7	124.7	0	0	108.8	A157 V161	A157-E159 PolarHBondContact O-N 3.4Å; A157-E159 VanDerWaalsContact O-N 3.14Å; E159-V161 PolarHBondContact O-N 3.01Å
160	D	27.5	Very low	28.7	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	80%	0.795	S	S	*	*			trans	-84.5	101.6	166.1	-152.4	-9.6	0	0	0	107.1	G158 G162	G158-D160 PolarHBondContact O-N 2.62Å; D160-G162 PolarHBondContact O-N 2.9Å
161	V	28.2	Very low	28.8	Very low	125 Å²	125	151.4 Å²	151.4	76%	0.758	80%	0.802	S	S	*	*			trans	-62.9	102.8	174.7	173.3	0	0	0	0	107.9	E159 Q163	E159-V161 PolarHBondContact O-N 3.01Å; V161-Q163 PolarHBondContact O-N 2.88Å
162	G	26	Very low	28.9	Very low	70 Å²	70	152.5 Å²	152.5	72%	0.722	79%	0.792	S	S	*	*			trans	-61.4	104.5	179.5	0	0	0	0	0	112.6	D160	D160-G162 PolarHBondContact O-N 2.9Å
163	Q	26.9	Very low	29.1	Very low	191 Å²	191	154.1 Å²	154.1	89%	0.893	80%	0.797	S	S	*	*			trans	-92.4	100.1	149.8	-81.2	-166.5	-28.3	0	0	109.5	V161 S165	V161-Q163 PolarHBondContact O-N 2.88Å; Q163-S165 PolarHBondContact O-N 2.92Å
164	K	30.5	Very low	29.4	Very low	204 Å²	204	154.4 Å²	154.4	89%	0.887	80%	0.799	S	S	*	*			trans	-74	114	160.2	-73.4	176.9	178	173.6	0	108.4
165	S	30	Very low	29.6	Very low	105 Å²	105	155.9 Å²	155.9	73%	0.734	81%	0.811	S	S	*	*				-178	144.3	125.2	64.2	0	0	0	0	112.6	Q163	Q163-S165 PolarHBondContact O-N 2.92Å
166	H	31.6	Very low	29.8	Very low	175 Å²	175	154.4 Å²	154.4	81%	0.81	80%	0.803	S	S	*	*			trans	70.1	75.6	151.1	-92.5	-143.1	0	0	0	119.6
167	W	27	Very low	30	Very low	223 Å²	223	152.6 Å²	152.6	85%	0.845	81%	0.805	S	S	*	*			trans	-145.4	27.1	147	-80	111.4	0	0	0	114.5	K169 I170	W167-K169 PolarHBondContact O-N 3.3Å; W167-I170 HydrophobicContact CZ3-CD1 4.21Å
168	Q	34.2	Very low	30.2	Very low	198 Å²	198	154.3 Å²	154.3	93%	0.925	81%	0.807	S	S	*	*			trans	-71.8	16.3	172.5	-101.6	178.7	-12.4	0	0	115
169	K	39	Very low	30.6	Very low	182 Å²	182	158 Å²	158	79%	0.791	81%	0.807	S	S	*	*			trans	-144.9	89.8	173.4	-71.9	-177.9	-179.8	172.5	0	109.9	W167	W167-K169 PolarHBondContact O-N 3.3Å
170	I	37.5	Very low	31	Very low	136 Å²	136	152 Å²	152	70%	0.697	79%	0.787	S	S	*	*				-168.7	105.9	125.7	-85.6	146	0	0	0	106	W167	W167-I170 HydrophobicContact CZ3-CD1 4.21Å
171	R	29.1	Very low	31.5	Very low	254 Å²	254	149.5 Å²	149.5	96%	0.958	78%	0.779	S	S	*	*			trans	-103.9	95.7	164.7	-165.3	176.3	176	153	-1.1	104.7
172	T	30.6	Very low	31.8	Very low	108 Å²	108	152.4 Å²	152.4	66%	0.663	78%	0.782	S	S	*	*			trans	-138.8	100.9	172	-40.9	0	0	0	0	108.7
173	M	30.3	Very low	32.3	Very low	179 Å²	179	158.1 Å²	158.1	88%	0.882	79%	0.786	S	S	*	*			trans	24.2	103	150	-66.3	169.2	71	0	0	118.1
174	V	32.5	Very low	33	Very low	130 Å²	130	155.5 Å²	155.5	79%	0.788	77%	0.772	S	S	*	*			trans	-149.4	122.1	130.6	-121.8	0	0	0	0	109.2	L176	V174-L176 HydrophobicContact CB-CD1 4.09Å; V174-L176 HydrophobicContact CG1-CD1 3.89Å; V174-L176 PolarHBondContact O-N 3.47Å
175	N	31.4	Very low	33.5	Very low	175 Å²	175	157.4 Å²	157.4	94%	0.936	77%	0.774	S	S	*	*			trans	-85.9	88.7	173.5	-144.4	16.2	0	0	0	106.8
176	L	31.6	Very low	34.4	Very low	118 Å²	118	157 Å²	157	62%	0.618	76%	0.757	S	S	*	*			trans	-116.6	135.2	165.4	-93.5	94.9	0	0	0	108.3	V174 V178	V174-L176 HydrophobicContact CB-CD1 4.09Å; V174-L176 HydrophobicContact CG1-CD1 3.89Å; V174-L176 PolarHBondContact O-N 3.47Å; L176-V178 HydrophobicContact CB-CG2 4.48Å; L176-V178 PolarHBondContact O-N 3.06Å
177	P	27.9	Very low	35.3	Very low	122 Å²	122	152.2 Å²	152.2	79%	0.792	75%	0.748	S	S	*	*			trans	-71	87.6	164.9	30.8	-28.5	0	0	0	106.8	I179	P177-I179 VanDerWaalsContact C-N 3.32Å; P177-I179 PolarHBondContact O-N 3.09Å
178	V	30.4	Very low	36.6	Very low	120 Å²	120	147.6 Å²	147.6	73%	0.727	73%	0.73	S	S	*	*			trans	-67.5	101.9	164.9	178	0	0	0	0	105.1	L176 S180	L176-V178 HydrophobicContact CB-CG2 4.48Å; L176-V178 PolarHBondContact O-N 3.06Å; V178-S180 PolarHBondContact O-N 3.09Å
179	I	35.7	Very low	37.7	Very low	155 Å²	155	139.9 Å²	139.9	80%	0.795	70%	0.696	S	S	*	*			trans	-61.2	91	160.6	-60.9	167.8	0	0	0	104.5	P177 P181	P177-I179 VanDerWaalsContact C-N 3.32Å; P177-I179 PolarHBondContact O-N 3.09Å; I179-P181 VanDerWaalsContact O-CD 3.3Å; I179-P181 WeakPolarHBondContact O-CD 3.19Å
180	S	33.1	Very low	38.7	Very low	66 Å²	66	133.2 Å²	133.2	46%	0.462	67%	0.668	S	S	.	*			trans	-60.4	118.6	165.9	-177.6	0	0	0	0	105.5	V178 F182	V178-S180 PolarHBondContact O-N 3.09Å; S180-F182 PolarHBondContact O-N 3.46Å
181	P	39	Very low	39.6	Very low	104 Å²	104	128 Å²	128	68%	0.675	64%	0.642	S	S	*	*			trans	-67.2	98.3	166.5	28.3	-27.9	0	0	0	104.1	I179 K183	I179-P181 VanDerWaalsContact O-CD 3.3Å; I179-P181 WeakPolarHBondContact O-CD 3.19Å; P181-K183 PolarHBondContact O-N 3.44Å
182	F	34.2	Very low	40.6	Very low	186 Å²	186	117.2 Å²	117.2	82%	0.816	61%	0.607	S	S	*	*			trans	-54.3	98	165.9	-75.1	-87.6	0	0	0	105.6	S180 K184	S180-F182 PolarHBondContact O-N 3.46Å; F182-K184 PolarHBondContact O-N 3.13Å
183	K	36.4	Very low	41.6	Very low	189 Å²	189	113.9 Å²	113.9	82%	0.822	59%	0.594	S	S	*	*			trans	-59.9	97.8	170	-80.5	-176.3	175.5	-177.4	0	105	P181 R185	P181-K183 PolarHBondContact O-N 3.44Å; K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 3.33Å
184	K	41.7	Very low	42.6	Very low	136 Å²	136	107.4 Å²	107.4	59%	0.591	56%	0.562	S	S	*	*			trans	-61.7	99.8	172.2	-80.4	178.5	156.5	-154.1	0	106.2	F182 Y186 D256	F182-K184 PolarHBondContact O-N 3.13Å; K184-Y186 VanDerWaalsContact C-N 3.3Å; K184-Y186 HydrophobicContact CB-CD2 3.96Å; K184-Y186 HydrophobicContact CB-CE2 3.56Å; K184-Y186 HydrophobicContact CD-CE2 3.78Å; K184-Y186 WeakPolarHBondContact CD-OH 3.04Å; K184-Y186 HydrophobicContact CG-CE2 4.22Å; K184-Y186 PolarHBondContact NZ-OH 3.49Å; K184-Y186 PolarHBondContact O-N 2.95Å; K184-D256 IonicContact NZ-OD1 3.19Å; K184-D256 PolarHBondContact NZ-OD1 3.01Å
185	R	39.6	Very low	43.6	Very low	245 Å²	245	106.6 Å²	106.6	93%	0.925	56%	0.557	S	S	*	*			trans	-75.4	88.8	172.1	-75.3	-175	178.6	171.7	-1.2	107	K183	K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 3.33Å
186	Y	48.7	Very low	45.1	Very low	95 Å²	95	100.5 Å²	100.5	37%	0.373	54%	0.536	S	S	.	.			trans	-78.3	128.9	163.7	-68.5	-72.8	0	0	0	108.2	K184 W188 F255 D256	K184-Y186 VanDerWaalsContact C-N 3.3Å; K184-Y186 HydrophobicContact CB-CD2 3.96Å; K184-Y186 HydrophobicContact CB-CE2 3.56Å; K184-Y186 HydrophobicContact CD-CE2 3.78Å; K184-Y186 WeakPolarHBondContact CD-OH 3.04Å; K184-Y186 HydrophobicContact CG-CE2 4.22Å; K184-Y186 PolarHBondContact NZ-OH 3.49Å; K184-Y186 PolarHBondContact O-N 2.95Å; Y186-W188 PolarHBondContact O-N 3.23Å; Y186-F255 PolarHBondContact OH-O 3.18Å; Y186-D256 PolarHBondContact OH-OD1 3.48Å
187	A	51.8	Low	47.2	Very low	75 Å²	75	95.6 Å²	95.6	62%	0.62	51%	0.511	S	S	*	.			trans	-73.1	114.6	166.5	0	0	0	0	0	107	V189	A187-V189 WeakPolarHBondContact O-CG2 3.38Å
188	W	53.6	Low	49.8	Very low	126 Å²	126	91.7 Å²	91.7	48%	0.477	48%	0.482	S	S	.	.			trans	-55.8	153	178	61.7	-94.2	0	0	0	110.8	Y186 Q190	Y186-W188 PolarHBondContact O-N 3.23Å; W188-Q190 HydrophobicContact CE3-CB 4.21Å; W188-Q190 HydrophobicContact CZ3-CB 3.66Å
189	V	57.5	Low	52.4	Low	36 Å²	36	88.8 Å²	88.8	22%	0.218	46%	0.459	C	S	.	.			trans	-129.2	119.2	-171.9	-170.5	0	0	0	0	109.5	A187 L191 L252 K336	A187-V189 WeakPolarHBondContact O-CG2 3.38Å; V189-L191 HydrophobicContact CG1-CD2 3.73Å; V189-L191 HydrophobicContact CG1-CG 4.34Å; V189-L252 HydrophobicContact CB-CD1 4.09Å; V189-L252 HydrophobicContact CG2-CD1 4.04Å; V189-K336 HydrophobicContact CB-CD 3.99Å; V189-K336 HydrophobicContact CG1-CB 4.24Å; V189-K336 HydrophobicContact CG1-CD 3.2Å; V189-K336 HydrophobicContact CG1-CG 4.34Å; V189-K336 HydrophobicContact CG2-CD 3.65Å
190	Q	61.3	Low	54.8	Low	43 Å²	43	85.1 Å²	85.1	20%	0.201	45%	0.452	C	S	.	.			trans	-104.7	112.7	166.1	-178.9	172.2	10.3	0	0	108.7	W188 A192 G193 H194 F198	W188-Q190 HydrophobicContact CE3-CB 4.21Å; W188-Q190 HydrophobicContact CZ3-CB 3.66Å; Q190-A192 WeakPolarHBondContact CG-O 3.36Å; Q190-A192 PolarHBondContact NE2-O 2.71Å; Q190-G193 PolarHBondContact NE2-O 3.24Å; Q190-H194 VanDerWaalsContact NE2-C 3.28Å; Q190-H194 PolarHBondContact NE2-O 3.13Å; Q190-H194 PolarHBondContact OE1-O 3.22Å; Q190-F198 HydrophobicContact CG-CD2 4.24Å; Q190-F198 HydrophobicContact CG-CE2 4.31Å
191	L	56	Low	57.1	Low	26 Å²	26	82.8 Å²	82.8	14%	0.136	44%	0.437	C	S	.	.	S	Bend	trans	-81.3	-35.2	176.1	-63.5	-172.2	0	0	0	112.4	V189 V260 D262 K336 L401	V189-L191 HydrophobicContact CG1-CD2 3.73Å; V189-L191 HydrophobicContact CG1-CG 4.34Å; L191-V260 HydrophobicContact CD1-CB 3.7Å; L191-V260 HydrophobicContact CD1-CG1 3.33Å; L191-V260 HydrophobicContact CG-CB 4.42Å; L191-V260 HydrophobicContact CG-CG1 4.14Å; L191-D262 HydrophobicContact CB-CB 4.32Å; L191-D262 HydrophobicContact CD1-CB 4.07Å; L191-K336 HydrophobicContact CD2-CB 3.37Å; L191-L401 HydrophobicContact CD1-CD1 4.46Å
192	A	49.9	Very low	59.2	Low	27 Å²	27	82.3 Å²	82.3	22%	0.223	45%	0.451	C	S	.	.	S	Bend	trans	-143.1	163.2	-178	0	0	0	0	0	111.3	Q190	Q190-A192 WeakPolarHBondContact CG-O 3.36Å; Q190-A192 PolarHBondContact NE2-O 2.71Å
193	G	51.9	Low	61.6	Low	39 Å²	39	77.4 Å²	77.4	40%	0.402	44%	0.437	S	S	.	.	S	Bend	trans	93.3	-176.5	179.9	0	0	0	0	0	115.5	Q190	Q190-G193 PolarHBondContact NE2-O 3.24Å
194	H	50.8	Low	64.1	Low	43 Å²	43	73.9 Å²	73.9	20%	0.199	44%	0.436	C	S	.	.			trans	-72.8	128.6	-176.3	-68.1	148	0	0	0	113.3	L142 D144 S145 Q190 G196 S197	L142-H194 PolarHBondContact O-CE1 3.34Å; D144-H194 PolarHBondContact O-NE2 3.19Å; S145-H194 WeakPolarHBondContact CA-CD2 3.31Å; S145-H194 WeakPolarHBondContact CA-NE2 3.42Å; S145-H194 WeakPolarHBondContact CB-CD2 3.32Å; S145-H194 PolarHBondContact N-NE2 3.11Å; Q190-H194 VanDerWaalsContact NE2-C 3.28Å; Q190-H194 PolarHBondContact NE2-O 3.13Å; Q190-H194 PolarHBondContact OE1-O 3.22Å; H194-G196 PolarHBondContact O-N 3.39Å; H194-S197 WeakPolarHBondContact CB-OG 3.34Å; H194-S197 WeakPolarHBondContact O-CB 3.19Å; H194-S197 PolarHBondContact O-N 3.32Å; H194-S197 PolarHBondContact O-OG 3.33Å
195	T	53.2	Low	66.4	Low	112 Å²	112	68.2 Å²	68.2	69%	0.687	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	127.7	166.4	50.2	0	0	0	0	109.8
196	G	63	Low	69	Low	48 Å²	48	57.8 Å²	57.8	50%	0.495	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	0.1	-178.1	0	0	0	0	0	114.8	H194 F198	H194-G196 PolarHBondContact O-N 3.39Å; G196-F198 VanDerWaalsContact C-N 3.25Å; G196-F198 PolarHBondContact O-N 3.14Å
197	S	75.8	Confident	71.2	Confident	14 Å²	14	54.6 Å²	54.6	10%	0.098	37%	0.367	C	S	.	.	S	Bend	trans	-72.8	-18	170.7	-77.1	0	0	0	0	113.6	H194 K209 R210	H194-S197 WeakPolarHBondContact CB-OG 3.34Å; H194-S197 WeakPolarHBondContact O-CB 3.19Å; H194-S197 PolarHBondContact O-N 3.32Å; H194-S197 PolarHBondContact O-OG 3.33Å; S197-K209 CarbonylContact O-C 3.52Å; S197-K209 WeakPolarHBondContact O-CA 3.33Å; S197-R210 PolarHBondContact O-N 2.95Å
198	F	83.1	Confident	73.2	Confident	41 Å²	41	51.6 Å²	51.6	18%	0.18	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.2	-178.5	-65.7	-89	0	0	0	111.1	Q190 G196 I207 L208 K209	Q190-F198 HydrophobicContact CG-CD2 4.24Å; Q190-F198 HydrophobicContact CG-CE2 4.31Å; G196-F198 VanDerWaalsContact C-N 3.25Å; G196-F198 PolarHBondContact O-N 3.14Å; F198-I207 HydrophobicContact CB-CD1 4.26Å; F198-I207 HydrophobicContact CD1-CD1 3.76Å; F198-I207 HydrophobicContact CD1-CG1 4.14Å; F198-I207 HydrophobicContact CG-CD1 4.34Å; F198-L208 CarbonylContact C-O 3.48Å; F198-L208 WeakPolarHBondContact CA-O 3.42Å; F198-K209 HydrophobicContact CD1-CB 3.93Å; F198-K209 HydrophobicContact CD1-CG 4.13Å; F198-K209 HydrophobicContact CE1-CB 3.69Å; F198-K209 HydrophobicContact CE1-CD 3.72Å; F198-K209 HydrophobicContact CE1-CG 3.6Å; F198-K209 HydrophobicContact CZ-CB 4.46Å; F198-K209 HydrophobicContact CZ-CD 3.77Å; F198-K209 HydrophobicContact CZ-CG 3.87Å
199	K	85	Confident	75.1	Confident	58 Å²	58	46.7 Å²	46.7	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	171.9	-68.6	-177	175.1	176	0	109	A201 L208 D241 Y245	K199-A201 PolarHBondContact O-N 2.85Å; K199-L208 HydrophobicContact CB-CB 4.12Å; K199-L208 HydrophobicContact CB-CD1 4.49Å; K199-L208 PolarHBondContact N-O 3.46Å; K199-L208 WeakPolarHBondContact O-CB 3.41Å; K199-L208 PolarHBondContact O-N 3.1Å; K199-D241 IonicContact NZ-OD2 3.37Å; K199-D241 PolarHBondContact NZ-OD2 3.49Å; K199-D241 VanDerWaalsContact NZ-OD2 3.14Å; K199-Y245 HydrophobicContact CD-CE1 3.9Å; K199-Y245 HydrophobicContact CD-CE2 4.41Å; K199-Y245 WeakPolarHBondContact CE-OH 3.49Å; K199-Y245 HydrophobicContact CG-CE1 4.13Å; K199-Y245 PolarHBondContact NZ-OH 2.68Å
200	A	84.4	Confident	76.8	Confident	78 Å²	78	48.1 Å²	48.1	65%	0.645	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.1	170.1	0	0	0	0	0	109.1
201	A	83.3	Confident	78.3	Confident	18 Å²	18	47.4 Å²	47.4	15%	0.149	32%	0.324	C	S	.	.			trans	-75.9	153.5	170.5	0	0	0	0	0	110.2	K199 T203 L206 L208	K199-A201 PolarHBondContact O-N 2.85Å; A201-T203 PolarHBondContact O-N 3.2Å; A201-L206 HydrophobicContact CB-CB 3.68Å; A201-L206 VanDerWaalsContact CB-O 3.3Å; A201-L206 WeakPolarHBondContact CB-O 3.39Å; A201-L208 HydrophobicContact CB-CD2 4.21Å; A201-L208 HydrophobicContact CB-CG 4.09Å
202	G	81.5	Confident	80.1	Confident	94 Å²	94	48 Å²	48	97%	0.969	33%	0.33	S	S	*	.	S	Bend	trans	-65.8	-14.9	171.3	0	0	0	0	0	113.8
203	T	85.4	Confident	82.3	Confident	83 Å²	83	52.3 Å²	52.3	51%	0.509	35%	0.346	S	S	.	.	S	Bend	trans	-104.9	131.6	-179.8	-56.3	0	0	0	0	110	A201 L206	A201-T203 PolarHBondContact O-N 3.2Å; T203-L206 HydrophobicContact CG2-CD1 3.95Å; T203-L206 HydrophobicContact CG2-CG 4.37Å; T203-L206 PolarHBondContact O-N 3.22Å
204	S	88.4	Confident	84.3	Confident	115 Å²	115	53.1 Å²	53.1	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	140.7	177.7	-166.2	0	0	0	0	111.6	L206	S204-L206 VanDerWaalsContact C-N 3.27Å; S204-L206 PolarHBondContact O-N 2.96Å
205	G	90.8	Very high	86.6	Confident	16 Å²	16	51.4 Å²	51.4	17%	0.165	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	6.2	179.4	0	0	0	0	0	114.8	D250	G205-D250 PolarHBondContact O-N 2.59Å
206	L	94.4	Very high	88.7	Confident	27 Å²	27	51 Å²	51	14%	0.141	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.3	176.1	-58.2	-177.4	0	0	0	111.6	A201 T203 S204 H235 Q247 L248	A201-L206 HydrophobicContact CB-CB 3.68Å; A201-L206 VanDerWaalsContact CB-O 3.3Å; A201-L206 WeakPolarHBondContact CB-O 3.39Å; T203-L206 HydrophobicContact CG2-CD1 3.95Å; T203-L206 HydrophobicContact CG2-CG 4.37Å; T203-L206 PolarHBondContact O-N 3.22Å; S204-L206 VanDerWaalsContact C-N 3.27Å; S204-L206 PolarHBondContact O-N 2.96Å; L206-H235 VanDerWaalsContact CD2-CE1 3.44Å; L206-H235 WeakPolarHBondContact CD2-CE1 3.28Å; L206-Q247 HydrophobicContact CB-CG 4.4Å; L206-Q247 HydrophobicContact CD1-CG 3.88Å; L206-L248 CarbonylContact C-O 3.54Å; L206-L248 VanDerWaalsContact CA-O 3.24Å; L206-L248 WeakPolarHBondContact CA-O 3.42Å
207	I	94.2	Very high	90.4	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.138	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.9	175.2	-165.5	169.1	0	0	0	110	F198 L248 D250	F198-I207 HydrophobicContact CB-CD1 4.26Å; F198-I207 HydrophobicContact CD1-CD1 3.76Å; F198-I207 HydrophobicContact CD1-CG1 4.14Å; F198-I207 HydrophobicContact CG-CD1 4.34Å; I207-L248 HydrophobicContact CG2-CB 3.94Å; I207-L248 PolarHBondContact N-O 2.89Å; I207-L248 PolarHBondContact O-N 3.04Å; I207-D250 HydrophobicContact CB-CB 4.36Å
208	L	93.4	Very high	91.5	Very high	13 Å²	13	52.1 Å²	52.1	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.2	174.3	-60.5	-174.6	0	0	0	109.2	F198 K199 A201 V238 Y245 L246 Q247	F198-L208 CarbonylContact C-O 3.48Å; F198-L208 WeakPolarHBondContact CA-O 3.42Å; K199-L208 HydrophobicContact CB-CB 4.12Å; K199-L208 HydrophobicContact CB-CD1 4.49Å; K199-L208 PolarHBondContact N-O 3.46Å; K199-L208 WeakPolarHBondContact O-CB 3.41Å; K199-L208 PolarHBondContact O-N 3.1Å; A201-L208 HydrophobicContact CB-CD2 4.21Å; A201-L208 HydrophobicContact CB-CG 4.09Å; L208-V238 HydrophobicContact CD1-CG2 4.21Å; L208-V238 HydrophobicContact CD2-CG2 3.58Å; L208-Y245 HydrophobicContact CB-CD1 3.95Å; L208-Y245 HydrophobicContact CB-CG 4.18Å; L208-L246 WeakPolarHBondContact CA-O 3.34Å; L208-Q247 HydrophobicContact CD2-CB 4Å; L208-Q247 HydrophobicContact CD2-CG 4.05Å
209	K	94.2	Very high	92.2	Very high	22 Å²	22	50.3 Å²	50.3	10%	0.096	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	172.1	-177	179.4	178.7	-177.6	0	109	S197 F198 C211 E215 Y245 L246 L248 D416	S197-K209 CarbonylContact O-C 3.52Å; S197-K209 WeakPolarHBondContact O-CA 3.33Å; F198-K209 HydrophobicContact CD1-CB 3.93Å; F198-K209 HydrophobicContact CD1-CG 4.13Å; F198-K209 HydrophobicContact CE1-CB 3.69Å; F198-K209 HydrophobicContact CE1-CD 3.72Å; F198-K209 HydrophobicContact CE1-CG 3.6Å; F198-K209 HydrophobicContact CZ-CB 4.46Å; F198-K209 HydrophobicContact CZ-CD 3.77Å; F198-K209 HydrophobicContact CZ-CG 3.87Å; K209-C211 PolarHBondContact O-N 3.19Å; K209-E215 WeakPolarHBondContact CE-OE2 3.42Å; K209-E215 IonicContact NZ-OE1 2.79Å; K209-E215 PolarHBondContact NZ-OE1 3.4Å; K209-E215 IonicContact NZ-OE2 2.72Å; K209-E215 PolarHBondContact NZ-OE2 2.89Å; K209-Y245 CarbonylContact O-C 3.53Å; K209-Y245 VanDerWaalsContact O-CA 3.29Å; K209-Y245 WeakPolarHBondContact O-CA 3.19Å; K209-L246 HydrophobicContact CB-CB 4.42Å; K209-L246 PolarHBondContact N-O 3.28Å; K209-L246 PolarHBondContact O-N 3.27Å; K209-L248 HydrophobicContact CB-CD1 3.96Å; K209-L248 HydrophobicContact CD-CD1 4.21Å; K209-D416 IonicContact NZ-OD1 2.71Å; K209-D416 PolarHBondContact NZ-OD1 2.72Å
210	R	93.3	Very high	92.8	Very high	66 Å²	66	50 Å²	50	25%	0.249	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	129.8	177.9	-174.6	173.8	64.7	-169.7	0.2	109.9	S197 Y245	S197-R210 PolarHBondContact O-N 2.95Å; R210-Y245 HydrophobicContact CB-CD1 4.45Å; R210-Y245 HydrophobicContact CB-CE1 4.26Å
211	C	92.4	Very high	93.5	Very high	28 Å²	28	51.9 Å²	51.9	19%	0.189	30%	0.3	C	S	.	.			trans	-69.6	137.4	-173.1	-170.1	0	0	0	0	111.3	K209 S244 L246	K209-C211 PolarHBondContact O-N 3.19Å; C211-S244 WeakPolarHBondContact CB-O 3.21Å; C211-S244 PolarHBondContact N-O 2.96Å; C211-L246 HydrophobicContact CB-CD2 4.24Å; C211-L246 HydrophobicContact CB-CG 4.29Å
212	S	93.8	Very high	94.3	Very high	40 Å²	40	51 Å²	51	28%	0.28	29%	0.293	S	S	.	.			trans	-126.3	140.5	160	67.7	0	0	0	0	107.6	E215 R216	S212-E215 PolarHBondContact O-N 3.44Å; S212-E215 WeakPolarHBondContact OG-CB 3.3Å; S212-R216 WeakPolarHBondContact O-CB 3.26Å; S212-R216 PolarHBondContact O-N 3.49Å
213	E	95.3	Very high	95.1	Very high	117 Å²	117	47.7 Å²	47.7	55%	0.547	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-41.8	-178	-79.6	-60.5	142.6	0	0	113.3	E215 R216 Y217	E213-E215 PolarHBondContact O-N 3.39Å; E213-R216 PolarHBondContact O-N 3.03Å; E213-R216 IonicContact OE1-NH1 3.14Å; E213-R216 PolarHBondContact OE1-NH1 2.97Å; E213-Y217 WeakPolarHBondContact O-CB 3.39Å; E213-Y217 PolarHBondContact O-N 3.3Å
214	P	95.7	Very high	95.7	Very high	55 Å²	55	48.4 Å²	48.4	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-43.8	175.2	-24.7	34.6	0	0	0	112.9	Y217 C218 G418	P214-Y217 PolarHBondContact O-N 3.29Å; P214-C218 WeakPolarHBondContact O-CB 3.35Å; P214-C218 PolarHBondContact O-N 3.45Å; P214-C218 PolarHBondContact O-SG 3.28Å; P214-G418 WeakPolarHBondContact CB-O 3.45Å
215	E	97.4	Very high	96.2	Very high	7 Å²	7	44 Å²	44	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-40.4	-179	-173.6	162.1	-140.9	0	0	112	K209 S212 E213 Y217 C218 L219 L246 D416 F417	K209-E215 WeakPolarHBondContact CE-OE2 3.42Å; K209-E215 IonicContact NZ-OE1 2.79Å; K209-E215 PolarHBondContact NZ-OE1 3.4Å; K209-E215 IonicContact NZ-OE2 2.72Å; K209-E215 PolarHBondContact NZ-OE2 2.89Å; S212-E215 PolarHBondContact O-N 3.44Å; S212-E215 WeakPolarHBondContact OG-CB 3.3Å; E213-E215 PolarHBondContact O-N 3.39Å; E215-Y217 VanDerWaalsContact C-N 3.34Å; E215-Y217 PolarHBondContact O-N 2.83Å; E215-C218 PolarHBondContact O-N 2.79Å; E215-L219 HydrophobicContact CG-CD1 3.85Å; E215-L219 HydrophobicContact CG-CG 4.3Å; E215-L219 WeakPolarHBondContact O-CB 3.39Å; E215-L219 VanDerWaalsContact O-CG 3.32Å; E215-L219 WeakPolarHBondContact O-CG 3.35Å; E215-L219 PolarHBondContact O-N 2.83Å; E215-L246 HydrophobicContact CB-CD1 4.17Å; E215-L246 HydrophobicContact CG-CD1 3.68Å; E215-D416 WeakPolarHBondContact OE1-CA 3.28Å; E215-F417 HydrophobicContact CG-CB 4.18Å; E215-F417 PolarHBondContact OE1-N 3.07Å
216	R	98	Very high	96.6	Very high	105 Å²	105	45.9 Å²	45.9	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-49.1	173.5	-178.8	-170.1	174	176.4	1.8	111	S212 E213 A220 F234 V237 L246	S212-R216 WeakPolarHBondContact O-CB 3.26Å; S212-R216 PolarHBondContact O-N 3.49Å; E213-R216 PolarHBondContact O-N 3.03Å; E213-R216 IonicContact OE1-NH1 3.14Å; E213-R216 PolarHBondContact OE1-NH1 2.97Å; R216-A220 WeakPolarHBondContact O-CB 3.47Å; R216-A220 PolarHBondContact O-N 2.97Å; R216-F234 HydrophobicContact CG-CZ 4.35Å; R216-V237 HydrophobicContact CG-CG2 3.96Å; R216-L246 HydrophobicContact CB-CD2 3.85Å; R216-L246 HydrophobicContact CG-CD2 4.23Å
217	Y	98.4	Very high	96.8	Very high	85 Å²	85	44.7 Å²	44.7	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-57.5	-49.8	176.8	165.2	-96	0	0	0	110.9	E213 P214 E215 A220 R221 H393 P422	E213-Y217 WeakPolarHBondContact O-CB 3.39Å; E213-Y217 PolarHBondContact O-N 3.3Å; P214-Y217 PolarHBondContact O-N 3.29Å; E215-Y217 VanDerWaalsContact C-N 3.34Å; E215-Y217 PolarHBondContact O-N 2.83Å; Y217-A220 PolarHBondContact O-N 2.89Å; Y217-R221 HydrophobicContact CD2-CG 4.38Å; Y217-R221 HydrophobicContact CE1-CG 4.35Å; Y217-R221 HydrophobicContact CE2-CG 3.95Å; Y217-R221 WeakPolarHBondContact O-CG 3.39Å; Y217-R221 PolarHBondContact O-N 3.35Å; Y217-R221 VanDerWaalsContact O-N 3.11Å; Y217-R221 PolarHBondContact OH-NH1 2.92Å; Y217-H393 AromaticContact CE1-NE2 3.41Å; Y217-H393 WeakPolarHBondContact CE1-NE2 3.42Å; Y217-H393 AromaticContact CZ-NE2 3.91Å; Y217-H393 PolarHBondContact OH-NE2 2.95Å; Y217-P422 HydrophobicContact CE1-CG 4.28Å
218	C	98.6	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-50.3	-179	-70.2	0	0	0	0	111.9	P214 E215 A220 R221 L222 F389 F417 T420	P214-C218 WeakPolarHBondContact O-CB 3.35Å; P214-C218 PolarHBondContact O-N 3.45Å; P214-C218 PolarHBondContact O-SG 3.28Å; E215-C218 PolarHBondContact O-N 2.79Å; C218-A220 VanDerWaalsContact C-N 3.34Å; C218-A220 PolarHBondContact O-N 2.77Å; C218-R221 PolarHBondContact O-N 3.18Å; C218-R221 VanDerWaalsContact O-N 3.14Å; C218-L222 HydrophobicContact CB-CD1 4.4Å; C218-L222 WeakPolarHBondContact O-CB 3.41Å; C218-L222 WeakPolarHBondContact O-CD1 3.26Å; C218-L222 VanDerWaalsContact O-CG 3.26Å; C218-L222 WeakPolarHBondContact O-CG 3.46Å; C218-L222 PolarHBondContact O-N 2.83Å; C218-F389 HydrophobicContact CB-CE2 4.14Å; C218-F389 HydrophobicContact CB-CZ 3.86Å; C218-F417 HydrophobicContact CB-CB 3.56Å; C218-F417 HydrophobicContact CB-CG 4.08Å; C218-T420 PolarHBondContact SG-O 2.93Å; C218-T420 VanDerWaalsContact SG-O 3.35Å
219	L	98.6	Very high	97.2	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-42.4	-179.7	-73.1	167.5	0	0	0	112	E215 R221 L222 M223 F234 L246 L248 F417	E215-L219 HydrophobicContact CG-CD1 3.85Å; E215-L219 HydrophobicContact CG-CG 4.3Å; E215-L219 WeakPolarHBondContact O-CB 3.39Å; E215-L219 VanDerWaalsContact O-CG 3.32Å; E215-L219 WeakPolarHBondContact O-CG 3.35Å; E215-L219 PolarHBondContact O-N 2.83Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.37Å; L219-L222 PolarHBondContact O-N 3.2Å; L219-M223 VanDerWaalsContact O-CG 3.31Å; L219-M223 WeakPolarHBondContact O-CG 3.09Å; L219-M223 PolarHBondContact O-N 2.98Å; L219-F234 HydrophobicContact CB-CB 3.92Å; L219-F234 HydrophobicContact CB-CD1 3.81Å; L219-F234 HydrophobicContact CB-CD2 4.23Å; L219-F234 HydrophobicContact CB-CE1 4.36Å; L219-F234 HydrophobicContact CB-CG 3.73Å; L219-F234 HydrophobicContact CD1-CD2 4.07Å; L219-F234 HydrophobicContact CD1-CG 4.33Å; L219-F234 HydrophobicContact CD2-CB 4.41Å; L219-L246 HydrophobicContact CD1-CD1 3.87Å; L219-L248 HydrophobicContact CD1-CD2 3.61Å; L219-L248 HydrophobicContact CD2-CD2 4.39Å; L219-F417 HydrophobicContact CD2-CD2 3.95Å; L219-F417 HydrophobicContact CD2-CE2 4.03Å; L219-F417 HydrophobicContact CG-CD2 4.28Å
220	A	98.5	Very high	97.4	Very high	52 Å²	52	51.7 Å²	51.7	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-41.3	176	0	0	0	0	0	112	R216 Y217 C218 F234	R216-A220 WeakPolarHBondContact O-CB 3.47Å; R216-A220 PolarHBondContact O-N 2.97Å; Y217-A220 PolarHBondContact O-N 2.89Å; C218-A220 VanDerWaalsContact C-N 3.34Å; C218-A220 PolarHBondContact O-N 2.77Å; A220-F234 HydrophobicContact CB-CE1 4.18Å
221	R	98.6	Very high	97.7	Very high	117 Å²	117	48.7 Å²	48.7	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-44	175.9	-66.1	-66.5	-65.1	-106.6	-0.9	112.1	Y217 C218 L219 M223 A224 D225 F389	Y217-R221 HydrophobicContact CD2-CG 4.38Å; Y217-R221 HydrophobicContact CE1-CG 4.35Å; Y217-R221 HydrophobicContact CE2-CG 3.95Å; Y217-R221 WeakPolarHBondContact O-CG 3.39Å; Y217-R221 PolarHBondContact O-N 3.35Å; Y217-R221 VanDerWaalsContact O-N 3.11Å; Y217-R221 PolarHBondContact OH-NH1 2.92Å; C218-R221 PolarHBondContact O-N 3.18Å; C218-R221 VanDerWaalsContact O-N 3.14Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.37Å; R221-M223 VanDerWaalsContact C-N 3.25Å; R221-M223 PolarHBondContact O-N 2.89Å; R221-A224 PolarHBondContact O-N 3.42Å; R221-D225 PolarHBondContact O-N 3.2Å; R221-F389 HydrophobicContact CB-CD2 3.77Å; R221-F389 HydrophobicContact CB-CE2 4.03Å
222	L	98.8	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-31.6	179.7	-75.7	160.5	0	0	0	112.5	C218 L219 A224 D225 L227 R228 V231 F389 F417	C218-L222 HydrophobicContact CB-CD1 4.4Å; C218-L222 WeakPolarHBondContact O-CB 3.41Å; C218-L222 WeakPolarHBondContact O-CD1 3.26Å; C218-L222 VanDerWaalsContact O-CG 3.26Å; C218-L222 WeakPolarHBondContact O-CG 3.46Å; C218-L222 PolarHBondContact O-N 2.83Å; L219-L222 PolarHBondContact O-N 3.2Å; L222-A224 PolarHBondContact O-N 2.85Å; L222-A224 VanDerWaalsContact O-N 3.15Å; L222-D225 PolarHBondContact O-N 2.81Å; L222-D225 VanDerWaalsContact O-N 3.1Å; L222-L227 HydrophobicContact CD2-CB 3.65Å; L222-L227 HydrophobicContact CD2-CD1 3.82Å; L222-L227 HydrophobicContact CD2-CG 4.42Å; L222-R228 WeakPolarHBondContact O-CA 3.32Å; L222-R228 WeakPolarHBondContact O-CB 3.26Å; L222-R228 PolarHBondContact O-N 3.49Å; L222-V231 HydrophobicContact CB-CG2 4.14Å; L222-V231 HydrophobicContact CD1-CG1 4.12Å; L222-V231 HydrophobicContact CD2-CG1 4.19Å; L222-F389 HydrophobicContact CD1-CE1 4.19Å; L222-F389 HydrophobicContact CD1-CZ 4.16Å; L222-F389 HydrophobicContact CD2-CB 4.46Å; L222-F389 HydrophobicContact CD2-CD1 3.52Å; L222-F389 HydrophobicContact CD2-CD2 4.45Å; L222-F389 HydrophobicContact CD2-CE1 3.78Å; L222-F389 HydrophobicContact CD2-CG 3.89Å; L222-F389 HydrophobicContact CD2-CZ 4.35Å; L222-F389 HydrophobicContact CG-CD1 4.08Å; L222-F389 HydrophobicContact CG-CD2 4.28Å; L222-F389 HydrophobicContact CG-CE1 4Å; L222-F389 HydrophobicContact CG-CE2 4.2Å; L222-F389 HydrophobicContact CG-CG 4.22Å; L222-F389 HydrophobicContact CG-CZ 4.06Å; L222-F417 HydrophobicContact CD1-CD1 4.14Å; L222-F417 HydrophobicContact CD1-CD2 3.93Å; L222-F417 HydrophobicContact CD1-CE1 3.87Å; L222-F417 HydrophobicContact CD1-CE2 3.65Å; L222-F417 HydrophobicContact CD1-CG 4.17Å; L222-F417 HydrophobicContact CD1-CZ 3.62Å
223	M	98.6	Very high	98.2	Very high	25 Å²	25	47.3 Å²	47.3	12%	0.123	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.8	175.3	-71	-55.7	99.1	0	0	114	L219 R221 R228 V231 F234	L219-M223 VanDerWaalsContact O-CG 3.31Å; L219-M223 WeakPolarHBondContact O-CG 3.09Å; L219-M223 PolarHBondContact O-N 2.98Å; R221-M223 VanDerWaalsContact C-N 3.25Å; R221-M223 PolarHBondContact O-N 2.89Å; M223-R228 HydrophobicContact CE-CG 4.46Å; M223-R228 WeakPolarHBondContact O-CD 3.22Å; M223-R228 PolarHBondContact O-NH1 3.33Å; M223-R228 HydrophobicContact SD-CG 4.43Å; M223-V231 HydrophobicContact CE-CG2 3.42Å; M223-V231 VanDerWaalsContact CE-CG2 3.42Å; M223-F234 HydrophobicContact CE-CB 4.31Å; M223-F234 HydrophobicContact CG-CB 3.86Å; M223-F234 HydrophobicContact CG-CD1 4.34Å; M223-F234 HydrophobicContact SD-CB 4.07Å; M223-F234 PolarHBondContact SD-N 2.89Å
224	A	98.4	Very high	98.3	Very high	97 Å²	97	43.2 Å²	43.2	80%	0.802	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	7.7	175.4	0	0	0	0	0	113.2	R221 L222	R221-A224 PolarHBondContact O-N 3.42Å; L222-A224 PolarHBondContact O-N 2.85Å; L222-A224 VanDerWaalsContact O-N 3.15Å
225	D	98.8	Very high	98.4	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-103.5	165.5	-178.5	-173.5	-98.8	0	0	0	111.8	R221 L222 L227 R228 S387 E388 F389	R221-D225 PolarHBondContact O-N 3.2Å; L222-D225 PolarHBondContact O-N 2.81Å; L222-D225 VanDerWaalsContact O-N 3.1Å; D225-L227 PolarHBondContact O-N 2.97Å; D225-L227 WeakPolarHBondContact OD1-CB 3.46Å; D225-L227 WeakPolarHBondContact OD1-CG 3.26Å; D225-L227 PolarHBondContact OD1-N 2.99Å; D225-R228 VanDerWaalsContact O-CB 3.3Å; D225-R228 WeakPolarHBondContact O-CB 3.31Å; D225-R228 PolarHBondContact O-N 2.78Å; D225-S387 VanDerWaalsContact CG-OG 3.22Å; D225-S387 WeakPolarHBondContact OD1-CB 3.26Å; D225-S387 PolarHBondContact OD1-OG 3.43Å; D225-S387 PolarHBondContact OD2-OG 3.26Å; D225-E388 PolarHBondContact OD2-N 3.47Å; D225-F389 HydrophobicContact CB-CB 4.05Å; D225-F389 VanDerWaalsContact CG-CB 3.48Å; D225-F389 WeakPolarHBondContact OD2-CB 3.25Å; D225-F389 PolarHBondContact OD2-N 2.93Å
226	A	98.6	Very high	98.4	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-53.3	-33.7	170.5	0	0	0	0	0	112.3	R228 T383 V386	A226-R228 PolarHBondContact O-N 3.36Å; A226-T383 VanDerWaalsContact C-CG2 3.48Å; A226-T383 HydrophobicContact CB-CG2 3.9Å; A226-T383 VanDerWaalsContact O-CG2 3.28Å; A226-T383 WeakPolarHBondContact O-CG2 3.42Å; A226-V386 HydrophobicContact CB-CG2 4.48Å
227	L	98.7	Very high	98.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-72.2	0.3	177.9	-70.3	171.5	0	0	0	115	L222 D225 G229 C230 V231 T383 L384 S387 F389 F390	L222-L227 HydrophobicContact CD2-CB 3.65Å; L222-L227 HydrophobicContact CD2-CD1 3.82Å; L222-L227 HydrophobicContact CD2-CG 4.42Å; D225-L227 PolarHBondContact O-N 2.97Å; D225-L227 WeakPolarHBondContact OD1-CB 3.46Å; D225-L227 WeakPolarHBondContact OD1-CG 3.26Å; D225-L227 PolarHBondContact OD1-N 2.99Å; L227-G229 PolarHBondContact O-N 3.06Å; L227-G229 VanDerWaalsContact O-N 3.09Å; L227-C230 HydrophobicContact CB-CB 4.41Å; L227-C230 HydrophobicContact CD2-CB 3.89Å; L227-C230 WeakPolarHBondContact O-CA 3.43Å; L227-C230 WeakPolarHBondContact O-CB 3.32Å; L227-C230 PolarHBondContact O-N 3.38Å; L227-V231 PolarHBondContact O-N 3.16Å; L227-T383 HydrophobicContact CD2-CG2 3.79Å; L227-T383 HydrophobicContact CG-CG2 4.28Å; L227-L384 HydrophobicContact CD1-CD2 3.8Å; L227-L384 HydrophobicContact CD2-CD2 3.58Å; L227-L384 HydrophobicContact CD2-CG 3.88Å; L227-L384 HydrophobicContact CG-CD2 4.31Å; L227-S387 VanDerWaalsContact CD1-OG 3.31Å; L227-S387 WeakPolarHBondContact CD1-OG 3.47Å; L227-F389 HydrophobicContact CD1-CD1 4.24Å; L227-F390 HydrophobicContact CD1-CB 4.07Å
228	R	98.7	Very high	98.2	Very high	155 Å²	155	41.7 Å²	41.7	59%	0.585	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-48.9	-41.1	178.6	179.5	-173.5	174.7	119.6	-2.2	112.8	L222 M223 D225 A226 C230	L222-R228 WeakPolarHBondContact O-CA 3.32Å; L222-R228 WeakPolarHBondContact O-CB 3.26Å; L222-R228 PolarHBondContact O-N 3.49Å; M223-R228 HydrophobicContact CE-CG 4.46Å; M223-R228 WeakPolarHBondContact O-CD 3.22Å; M223-R228 PolarHBondContact O-NH1 3.33Å; M223-R228 HydrophobicContact SD-CG 4.43Å; D225-R228 VanDerWaalsContact O-CB 3.3Å; D225-R228 WeakPolarHBondContact O-CB 3.31Å; D225-R228 PolarHBondContact O-N 2.78Å; A226-R228 PolarHBondContact O-N 3.36Å; R228-C230 VanDerWaalsContact C-N 3.27Å; R228-C230 PolarHBondContact O-N 3.38Å
229	G	98.2	Very high	98	Very high	51 Å²	51	49.4 Å²	49.4	53%	0.526	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-80.7	-2.8	178.9	0	0	0	0	0	114.7	L227 R376	L227-G229 PolarHBondContact O-N 3.06Å; L227-G229 VanDerWaalsContact O-N 3.09Å; G229-R376 PolarHBondContact O-NH1 3.48Å; G229-R376 PolarHBondContact O-NH2 3.39Å
230	C	98.7	Very high	97.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.014	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-104.2	-4	-177.8	-60.5	0	0	0	0	113	L227 R228 I380 W413 L414	L227-C230 HydrophobicContact CB-CB 4.41Å; L227-C230 HydrophobicContact CD2-CB 3.89Å; L227-C230 WeakPolarHBondContact O-CA 3.43Å; L227-C230 WeakPolarHBondContact O-CB 3.32Å; L227-C230 PolarHBondContact O-N 3.38Å; R228-C230 VanDerWaalsContact C-N 3.27Å; R228-C230 PolarHBondContact O-N 3.38Å; C230-I380 HydrophobicContact CB-CG1 4.38Å; C230-W413 CarbonylContact O-C 3.54Å; C230-W413 VanDerWaalsContact O-CA 3.26Å; C230-W413 WeakPolarHBondContact O-CA 3.35Å; C230-L414 HydrophobicContact CB-CD1 3.94Å; C230-L414 WeakPolarHBondContact O-CD1 3.28Å; C230-L414 PolarHBondContact O-N 3.31Å
231	V	98.7	Very high	96.7	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	32%	0.317	C	S	.	.	S	Bend	trans	-127.8	161.8	-176.3	-55.4	0	0	0	0	110.2	L222 M223 L227 L414 F417	L222-V231 HydrophobicContact CB-CG2 4.14Å; L222-V231 HydrophobicContact CD1-CG1 4.12Å; L222-V231 HydrophobicContact CD2-CG1 4.19Å; M223-V231 HydrophobicContact CE-CG2 3.42Å; M223-V231 VanDerWaalsContact CE-CG2 3.42Å; L227-V231 PolarHBondContact O-N 3.16Å; V231-L414 HydrophobicContact CG1-CB 4.15Å; V231-F417 HydrophobicContact CB-CE2 4.37Å; V231-F417 HydrophobicContact CB-CZ 4.39Å; V231-F417 HydrophobicContact CG1-CE2 4.1Å; V231-F417 HydrophobicContact CG1-CZ 3.66Å
232	P	98.1	Very high	96.3	Very high	8 Å²	8	55 Å²	55	5%	0.052	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.9	138.1	171.2	25.2	-33.8	0	0	0	110.6	F234 Q249 L251 L414 I415	P232-F234 PolarHBondContact O-N 2.78Å; P232-Q249 HydrophobicContact CB-CB 4.25Å; P232-L251 HydrophobicContact CB-CD1 4.23Å; P232-L251 HydrophobicContact CB-CD2 3.95Å; P232-L251 HydrophobicContact CB-CG 4.1Å; P232-L414 VanDerWaalsContact CD-O 3.26Å; P232-L414 WeakPolarHBondContact CD-O 3.47Å; P232-I415 HydrophobicContact CG-CG2 4.38Å
233	A	98.3	Very high	95.9	Very high	31 Å²	31	59.1 Å²	59.1	26%	0.256	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.8	128.4	175.7	0	0	0	0	0	110.6	H235 L248 Q249	A233-H235 PolarHBondContact O-CE1 3.45Å; A233-H235 PolarHBondContact O-ND1 3.22Å; A233-H235 VanDerWaalsContact O-ND1 3.17Å; A233-L248 CarbonylContact O-C 3.51Å; A233-L248 WeakPolarHBondContact O-CA 3.5Å; A233-Q249 HydrophobicContact CB-CB 4.05Å; A233-Q249 PolarHBondContact O-N 3.2Å
234	F	98.2	Very high	95.7	Very high	32 Å²	32	60.3 Å²	60.3	14%	0.14	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.9	179.4	171.9	-122.7	0	0	0	110.4	R216 L219 A220 M223 P232 G236 V237 L246 L248	R216-F234 HydrophobicContact CG-CZ 4.35Å; L219-F234 HydrophobicContact CB-CB 3.92Å; L219-F234 HydrophobicContact CB-CD1 3.81Å; L219-F234 HydrophobicContact CB-CD2 4.23Å; L219-F234 HydrophobicContact CB-CE1 4.36Å; L219-F234 HydrophobicContact CB-CG 3.73Å; L219-F234 HydrophobicContact CD1-CD2 4.07Å; L219-F234 HydrophobicContact CD1-CG 4.33Å; L219-F234 HydrophobicContact CD2-CB 4.41Å; A220-F234 HydrophobicContact CB-CE1 4.18Å; M223-F234 HydrophobicContact CE-CB 4.31Å; M223-F234 HydrophobicContact CG-CB 3.86Å; M223-F234 HydrophobicContact CG-CD1 4.34Å; M223-F234 HydrophobicContact SD-CB 4.07Å; M223-F234 PolarHBondContact SD-N 2.89Å; P232-F234 PolarHBondContact O-N 2.78Å; F234-G236 VanDerWaalsContact CE2-C 3.42Å; F234-G236 WeakPolarHBondContact CE2-O 3.48Å; F234-G236 VanDerWaalsContact CZ-CA 3.48Å; F234-V237 HydrophobicContact CZ-CG2 4.16Å; F234-L246 HydrophobicContact CE2-CB 4.21Å; F234-L246 HydrophobicContact CE2-CD2 3.86Å; F234-L246 HydrophobicContact CZ-CD2 4.33Å; F234-L248 HydrophobicContact CB-CD2 4.19Å; F234-L248 HydrophobicContact CD2-CD2 3.77Å; F234-L248 HydrophobicContact CG-CD2 4.44Å
235	H	97.5	Very high	95.6	Very high	103 Å²	103	55.8 Å²	55.8	48%	0.477	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	9.3	-172.8	-59.9	82.2	0	0	0	112.9	L206 A233 Q247	L206-H235 VanDerWaalsContact CD2-CE1 3.44Å; L206-H235 WeakPolarHBondContact CD2-CE1 3.28Å; A233-H235 PolarHBondContact O-CE1 3.45Å; A233-H235 PolarHBondContact O-ND1 3.22Å; A233-H235 VanDerWaalsContact O-ND1 3.17Å; H235-Q247 HydrophobicContact CB-CB 4.18Å; H235-Q247 HydrophobicContact CB-CG 4.04Å; H235-Q247 PolarHBondContact N-O 2.78Å
236	G	96.7	Very high	95.4	Very high	24 Å²	24	54.7 Å²	54.7	25%	0.247	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-169.7	-177.1	0	0	0	0	0	113	F234 Q247	F234-G236 VanDerWaalsContact CE2-C 3.42Å; F234-G236 WeakPolarHBondContact CE2-O 3.48Å; F234-G236 VanDerWaalsContact CZ-CA 3.48Å; G236-Q247 PolarHBondContact O-N 2.98Å
237	V	96.8	Very high	95.4	Very high	48 Å²	48	54 Å²	54	29%	0.291	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.2	-179	-175	0	0	0	0	108.8	R216 F234 Y245 L246	R216-V237 HydrophobicContact CG-CG2 3.96Å; F234-V237 HydrophobicContact CZ-CG2 4.16Å; V237-Y245 CarbonylContact C-O 3.44Å; V237-Y245 VanDerWaalsContact CA-O 3.29Å; V237-Y245 WeakPolarHBondContact CA-O 3.45Å; V237-Y245 WeakPolarHBondContact CG1-O 3.4Å; V237-L246 HydrophobicContact CG2-CD2 4.18Å
238	V	95.6	Very high	95.3	Very high	45 Å²	45	54.4 Å²	54.4	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	173.8	-61.4	0	0	0	0	109.8	L208 Y245 Q247	L208-V238 HydrophobicContact CD1-CG2 4.21Å; L208-V238 HydrophobicContact CD2-CG2 3.58Å; V238-Y245 PolarHBondContact N-O 3.2Å; V238-Y245 PolarHBondContact O-N 3.18Å; V238-Q247 HydrophobicContact CG1-CB 4.46Å
239	E	94.4	Very high	95.2	Very high	161 Å²	161	50.5 Å²	50.5	75%	0.752	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.1	172.6	-67.8	-173.6	167.9	0	0	110.4	E243	E239-E243 WeakPolarHBondContact CA-O 3.15Å
240	H	85.7	Confident	95.1	Very high	87 Å²	87	49.9 Å²	49.9	40%	0.403	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	126.8	175.3	-168.6	63.3	0	0	0	109.6	G242 E243 Y245	H240-G242 PolarHBondContact O-N 2.61Å; H240-E243 PolarHBondContact N-O 3.42Å; H240-E243 PolarHBondContact O-N 3.03Å; H240-Y245 HydrophobicContact CB-CD2 4.03Å; H240-Y245 HydrophobicContact CB-CE2 4.07Å
241	D	85.3	Confident	95	Very high	123 Å²	123	50.4 Å²	50.4	66%	0.658	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	32.3	-177	-50.9	-39.1	0	0	0	114.8	K199 E243	K199-D241 IonicContact NZ-OD2 3.37Å; K199-D241 PolarHBondContact NZ-OD2 3.49Å; K199-D241 VanDerWaalsContact NZ-OD2 3.14Å; D241-E243 PolarHBondContact O-N 2.85Å
242	G	88.7	Confident	94.8	Very high	80 Å²	80	51.5 Å²	51.5	83%	0.825	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	4	-177.5	0	0	0	0	0	114.7	H240	H240-G242 PolarHBondContact O-N 2.61Å
243	E	91.8	Very high	94.6	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147	173.3	-68.7	-172	133.2	0	0	111.4	E239 H240 D241 Y245	E239-E243 WeakPolarHBondContact CA-O 3.15Å; H240-E243 PolarHBondContact N-O 3.42Å; H240-E243 PolarHBondContact O-N 3.03Å; D241-E243 PolarHBondContact O-N 2.85Å; E243-Y245 HydrophobicContact CB-CD2 4.39Å; E243-Y245 HydrophobicContact CB-CE2 3.6Å; E243-Y245 WeakPolarHBondContact O-CD2 3.28Å; E243-Y245 PolarHBondContact OE2-OH 3.1Å
244	S	94.1	Very high	94.3	Very high	50 Å²	50	55.7 Å²	55.7	35%	0.35	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.1	175	-75.2	0	0	0	0	111.8	C211	C211-S244 WeakPolarHBondContact CB-O 3.21Å; C211-S244 PolarHBondContact N-O 2.96Å
245	Y	95.6	Very high	94.2	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.8	179	-67.6	-96.3	0	0	0	111.6	K199 L208 K209 R210 V237 V238 H240 E243	K199-Y245 HydrophobicContact CD-CE1 3.9Å; K199-Y245 HydrophobicContact CD-CE2 4.41Å; K199-Y245 WeakPolarHBondContact CE-OH 3.49Å; K199-Y245 HydrophobicContact CG-CE1 4.13Å; K199-Y245 PolarHBondContact NZ-OH 2.68Å; L208-Y245 HydrophobicContact CB-CD1 3.95Å; L208-Y245 HydrophobicContact CB-CG 4.18Å; K209-Y245 CarbonylContact O-C 3.53Å; K209-Y245 VanDerWaalsContact O-CA 3.29Å; K209-Y245 WeakPolarHBondContact O-CA 3.19Å; R210-Y245 HydrophobicContact CB-CD1 4.45Å; R210-Y245 HydrophobicContact CB-CE1 4.26Å; V237-Y245 CarbonylContact C-O 3.44Å; V237-Y245 VanDerWaalsContact CA-O 3.29Å; V237-Y245 WeakPolarHBondContact CA-O 3.45Å; V237-Y245 WeakPolarHBondContact CG1-O 3.4Å; V238-Y245 PolarHBondContact N-O 3.2Å; V238-Y245 PolarHBondContact O-N 3.18Å; H240-Y245 HydrophobicContact CB-CD2 4.03Å; H240-Y245 HydrophobicContact CB-CE2 4.07Å; E243-Y245 HydrophobicContact CB-CD2 4.39Å; E243-Y245 HydrophobicContact CB-CE2 3.6Å; E243-Y245 WeakPolarHBondContact O-CD2 3.28Å; E243-Y245 PolarHBondContact OE2-OH 3.1Å
246	L	96.1	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.9	165.6	-51.2	170.9	0	0	0	108.7	L208 K209 C211 E215 R216 L219 F234 V237 L248	L208-L246 WeakPolarHBondContact CA-O 3.34Å; K209-L246 HydrophobicContact CB-CB 4.42Å; K209-L246 PolarHBondContact N-O 3.28Å; K209-L246 PolarHBondContact O-N 3.27Å; C211-L246 HydrophobicContact CB-CD2 4.24Å; C211-L246 HydrophobicContact CB-CG 4.29Å; E215-L246 HydrophobicContact CB-CD1 4.17Å; E215-L246 HydrophobicContact CG-CD1 3.68Å; R216-L246 HydrophobicContact CB-CD2 3.85Å; R216-L246 HydrophobicContact CG-CD2 4.23Å; L219-L246 HydrophobicContact CD1-CD1 3.87Å; F234-L246 HydrophobicContact CE2-CB 4.21Å; F234-L246 HydrophobicContact CE2-CD2 3.86Å; F234-L246 HydrophobicContact CZ-CD2 4.33Å; V237-L246 HydrophobicContact CG2-CD2 4.18Å; L246-L248 HydrophobicContact CB-CD1 4.45Å; L246-L248 HydrophobicContact CB-CD2 4.18Å; L246-L248 HydrophobicContact CB-CG 4.13Å
247	Q	96.8	Very high	93.9	Very high	41 Å²	41	52.7 Å²	52.7	19%	0.192	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.9	172.2	-172.3	175.4	84.5	0	0	109.5	L206 L208 H235 G236 V238	L206-Q247 HydrophobicContact CB-CG 4.4Å; L206-Q247 HydrophobicContact CD1-CG 3.88Å; L208-Q247 HydrophobicContact CD2-CB 4Å; L208-Q247 HydrophobicContact CD2-CG 4.05Å; H235-Q247 HydrophobicContact CB-CB 4.18Å; H235-Q247 HydrophobicContact CB-CG 4.04Å; H235-Q247 PolarHBondContact N-O 2.78Å; G236-Q247 PolarHBondContact O-N 2.98Å; V238-Q247 HydrophobicContact CG1-CB 4.46Å
248	L	97.4	Very high	93.9	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.1	-173	-55.8	177.9	0	0	0	110.9	L206 I207 K209 L219 A233 F234 L246 D250	L206-L248 CarbonylContact C-O 3.54Å; L206-L248 VanDerWaalsContact CA-O 3.24Å; L206-L248 WeakPolarHBondContact CA-O 3.42Å; I207-L248 HydrophobicContact CG2-CB 3.94Å; I207-L248 PolarHBondContact N-O 2.89Å; I207-L248 PolarHBondContact O-N 3.04Å; K209-L248 HydrophobicContact CB-CD1 3.96Å; K209-L248 HydrophobicContact CD-CD1 4.21Å; L219-L248 HydrophobicContact CD1-CD2 3.61Å; L219-L248 HydrophobicContact CD2-CD2 4.39Å; A233-L248 CarbonylContact O-C 3.51Å; A233-L248 WeakPolarHBondContact O-CA 3.5Å; F234-L248 HydrophobicContact CB-CD2 4.19Å; F234-L248 HydrophobicContact CD2-CD2 3.77Å; F234-L248 HydrophobicContact CG-CD2 4.44Å; L246-L248 HydrophobicContact CB-CD1 4.45Å; L246-L248 HydrophobicContact CB-CD2 4.18Å; L246-L248 HydrophobicContact CB-CG 4.13Å; L248-D250 PolarHBondContact O-N 3.29Å
249	Q	97.2	Very high	94	Very high	72 Å²	72	49.3 Å²	49.3	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	131.5	162.6	179.7	-179.1	5.4	0	0	110	P232 A233 L251	P232-Q249 HydrophobicContact CB-CB 4.25Å; A233-Q249 HydrophobicContact CB-CB 4.05Å; A233-Q249 PolarHBondContact O-N 3.2Å; Q249-L251 HydrophobicContact CG-CD2 4.32Å; Q249-L251 PolarHBondContact O-N 3.47Å
250	D	95.9	Very high	94.1	Very high	39 Å²	39	41.8 Å²	41.8	21%	0.209	25%	0.253	C	S	.	.			trans	-74.6	108.8	165.4	-176.2	-2.8	0	0	0	108.7	G205 I207 L248 L252 D253	G205-D250 PolarHBondContact O-N 2.59Å; I207-D250 HydrophobicContact CB-CB 4.36Å; L248-D250 PolarHBondContact O-N 3.29Å; D250-L252 PolarHBondContact O-N 3.28Å; D250-L252 WeakPolarHBondContact OD1-CB 3.47Å; D250-L252 PolarHBondContact OD1-N 3.49Å; D250-D253 HydrophobicContact CB-CB 4.05Å; D250-D253 WeakPolarHBondContact O-CB 3.45Å; D250-D253 PolarHBondContact O-N 2.69Å; D250-D253 VanDerWaalsContact O-N 3.16Å
251	L	96.3	Very high	94.7	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.2	-179.1	-63.2	179.2	0	0	0	113.1	P232 Q249 F255 L401 W413 I415	P232-L251 HydrophobicContact CB-CD1 4.23Å; P232-L251 HydrophobicContact CB-CD2 3.95Å; P232-L251 HydrophobicContact CB-CG 4.1Å; Q249-L251 HydrophobicContact CG-CD2 4.32Å; Q249-L251 PolarHBondContact O-N 3.47Å; L251-F255 WeakPolarHBondContact O-CE2 3.41Å; L251-L401 HydrophobicContact CB-CD2 4.41Å; L251-L401 HydrophobicContact CD1-CD2 3.93Å; L251-W413 HydrophobicContact CB-CE3 4.4Å; L251-W413 HydrophobicContact CD1-CB 3.71Å; L251-W413 HydrophobicContact CD1-CD2 4.06Å; L251-W413 HydrophobicContact CD1-CE3 4.18Å; L251-W413 HydrophobicContact CD1-CG 3.87Å; L251-W413 HydrophobicContact CD2-CB 4.47Å; L251-W413 HydrophobicContact CD2-CD2 3.75Å; L251-W413 HydrophobicContact CD2-CE3 4.32Å; L251-W413 HydrophobicContact CD2-CG 3.8Å; L251-W413 HydrophobicContact CD2-CZ2 4.42Å; L251-W413 HydrophobicContact CG-CD2 4.37Å; L251-W413 HydrophobicContact CG-CG 4.46Å; L251-I415 HydrophobicContact CD1-CG2 3.84Å
252	L	95.1	Very high	95.3	Very high	26 Å²	26	32 Å²	32	14%	0.136	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.5	174.8	-52.5	-172.5	0	0	0	111.6	V189 D250 G254 F255 P258 V260 V403	V189-L252 HydrophobicContact CB-CD1 4.09Å; V189-L252 HydrophobicContact CG2-CD1 4.04Å; D250-L252 PolarHBondContact O-N 3.28Å; D250-L252 WeakPolarHBondContact OD1-CB 3.47Å; D250-L252 PolarHBondContact OD1-N 3.49Å; L252-G254 PolarHBondContact O-N 3.37Å; L252-F255 PolarHBondContact O-N 2.96Å; L252-F255 VanDerWaalsContact O-N 3.15Å; L252-P258 HydrophobicContact CB-CG 4.33Å; L252-P258 HydrophobicContact CD2-CB 4.38Å; L252-P258 HydrophobicContact CD2-CG 4.42Å; L252-V260 HydrophobicContact CD1-CG2 4.48Å; L252-V260 HydrophobicContact CD2-CG1 4.49Å; L252-V260 HydrophobicContact CD2-CG2 3.6Å; L252-V403 HydrophobicContact CD2-CB 4.48Å; L252-V403 HydrophobicContact CD2-CG1 3.79Å; L252-V403 HydrophobicContact CD2-CG2 3.78Å
253	D	93.3	Very high	95.8	Very high	84 Å²	84	28.2 Å²	28.2	45%	0.449	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	138.8	174.3	-171.6	56	0	0	0	110.2	D250 F255	D250-D253 HydrophobicContact CB-CB 4.05Å; D250-D253 WeakPolarHBondContact O-CB 3.45Å; D250-D253 PolarHBondContact O-N 2.69Å; D250-D253 VanDerWaalsContact O-N 3.16Å; D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 3.11Å
254	G	92.9	Very high	96.1	Very high	42 Å²	42	25.8 Å²	25.8	43%	0.433	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-14.8	-174.2	0	0	0	0	0	115.1	L252 R409	L252-G254 PolarHBondContact O-N 3.37Å; G254-R409 PolarHBondContact O-NH1 3.32Å; G254-R409 PolarHBondContact O-NH2 3.29Å; G254-R409 VanDerWaalsContact O-NH2 3.16Å
255	F	95.6	Very high	96.3	Very high	20 Å²	20	23.4 Å²	23.4	9%	0.088	14%	0.136	C	C	.	.			trans	-87.9	153.8	171.5	-68.6	-97.1	0	0	0	111.8	Y186 L251 L252 D253 P258 V403 D405 R409 W413	Y186-F255 PolarHBondContact OH-O 3.18Å; L251-F255 WeakPolarHBondContact O-CE2 3.41Å; L252-F255 PolarHBondContact O-N 2.96Å; L252-F255 VanDerWaalsContact O-N 3.15Å; D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 3.11Å; F255-P258 HydrophobicContact CB-CB 3.91Å; F255-P258 HydrophobicContact CB-CG 4.45Å; F255-V403 HydrophobicContact CB-CG1 4.49Å; F255-V403 HydrophobicContact CD1-CG1 3.84Å; F255-V403 HydrophobicContact CD2-CG1 3.79Å; F255-V403 HydrophobicContact CE1-CB 4.27Å; F255-V403 HydrophobicContact CE1-CG1 3.89Å; F255-V403 HydrophobicContact CE2-CB 4.22Å; F255-V403 HydrophobicContact CE2-CG1 3.86Å; F255-V403 HydrophobicContact CG-CG1 3.78Å; F255-V403 HydrophobicContact CZ-CB 4.03Å; F255-V403 HydrophobicContact CZ-CG1 3.91Å; F255-D405 WeakPolarHBondContact CA-OD2 3.41Å; F255-D405 HydrophobicContact CB-CB 4.31Å; F255-D405 HydrophobicContact CD1-CB 4.07Å; F255-R409 HydrophobicContact CD1-CB 3.92Å; F255-R409 HydrophobicContact CE1-CB 3.71Å; F255-W413 AromaticContact CE2-CH2 3.9Å; F255-W413 HydrophobicContact CE2-CH2 3.9Å; F255-W413 HydrophobicContact CE2-CZ3 4.41Å; F255-W413 AromaticContact CZ-CH2 3.92Å; F255-W413 HydrophobicContact CZ-CH2 3.92Å; F255-W413 HydrophobicContact CZ-CZ3 4.37Å
256	D	94.6	Very high	96.4	Very high	50 Å²	50	23.3 Å²	23.3	27%	0.267	14%	0.136	S	C	.	.	S	Bend	trans	-114	100.7	178.4	-166.1	45.1	0	0	0	111.9	K184 Y186 D405 H406	K184-D256 IonicContact NZ-OD1 3.19Å; K184-D256 PolarHBondContact NZ-OD1 3.01Å; Y186-D256 PolarHBondContact OH-OD1 3.48Å; D256-D405 PolarHBondContact N-OD2 3.43Å; D256-D405 WeakPolarHBondContact O-CB 3.31Å; D256-H406 PolarHBondContact O-CD2 3.23Å; D256-H406 PolarHBondContact O-NE2 2.85Å; D256-H406 IonicContact OD2-CD2 2.65Å; D256-H406 IonicContact OD2-CE1 3.83Å; D256-H406 PolarHBondContact OD2-CE1 3.12Å; D256-H406 IonicContact OD2-NE2 2.83Å; D256-H406 PolarHBondContact OD2-NE2 3.24Å
257	G	93.1	Very high	96.5	Very high	26 Å²	26	24.4 Å²	24.4	27%	0.268	14%	0.142	S	C	.	.	S	Bend	trans	66	61.6	-172.7	0	0	0	0	0	111.6	C259 A338	G257-C259 PolarHBondContact O-N 2.99Å; G257-A338 WeakPolarHBondContact O-CB 3.48Å
258	P	96.1	Very high	96.4	Very high	18 Å²	18	22.5 Å²	22.5	12%	0.117	13%	0.133	C	C	.	.			trans	-65.8	134.9	-172	26.2	-34.1	0	0	0	112.6	L252 F255 V260 V403 H404	L252-P258 HydrophobicContact CB-CG 4.33Å; L252-P258 HydrophobicContact CD2-CB 4.38Å; L252-P258 HydrophobicContact CD2-CG 4.42Å; F255-P258 HydrophobicContact CB-CB 3.91Å; F255-P258 HydrophobicContact CB-CG 4.45Å; P258-V260 HydrophobicContact CB-CG2 4.12Å; P258-V403 HydrophobicContact CB-CG1 3.75Å; P258-H404 CarbonylContact C-O 3.5Å; P258-H404 VanDerWaalsContact CA-O 3.32Å; P258-H404 WeakPolarHBondContact CA-O 3.35Å
259	C	97.3	Very high	96.2	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.034	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.1	156.2	-71.3	0	0	0	0	108.4	G257 K336 A338 F362 V403 H404	G257-C259 PolarHBondContact O-N 2.99Å; C259-K336 CarbonylContact C-O 3.57Å; C259-K336 VanDerWaalsContact CA-O 3.28Å; C259-K336 WeakPolarHBondContact CA-O 3.46Å; C259-A338 PolarHBondContact SG-N 3.22Å; C259-F362 HydrophobicContact CB-CE2 3.86Å; C259-F362 HydrophobicContact CB-CZ 4.31Å; C259-V403 WeakPolarHBondContact O-CA 3.24Å; C259-H404 VanDerWaalsContact CB-CD2 3.45Å; C259-H404 WeakPolarHBondContact CB-CD2 3.49Å; C259-H404 WeakPolarHBondContact CB-NE2 3.31Å; C259-H404 PolarHBondContact N-O 2.79Å; C259-H404 PolarHBondContact O-N 3.25Å
260	V	97.8	Very high	96	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.6	-173.3	-169.1	0	0	0	0	109.5	L191 L252 P258 I335 K336 L401 F402 V403	L191-V260 HydrophobicContact CD1-CB 3.7Å; L191-V260 HydrophobicContact CD1-CG1 3.33Å; L191-V260 HydrophobicContact CG-CB 4.42Å; L191-V260 HydrophobicContact CG-CG1 4.14Å; L252-V260 HydrophobicContact CD1-CG2 4.48Å; L252-V260 HydrophobicContact CD2-CG1 4.49Å; L252-V260 HydrophobicContact CD2-CG2 3.6Å; P258-V260 HydrophobicContact CB-CG2 4.12Å; V260-I335 CarbonylContact O-C 3.48Å; V260-I335 VanDerWaalsContact O-CA 3.29Å; V260-I335 WeakPolarHBondContact O-CA 3.15Å; V260-K336 PolarHBondContact N-O 3.44Å; V260-K336 PolarHBondContact O-N 2.93Å; V260-L401 HydrophobicContact CG1-CD1 3.53Å; V260-L401 HydrophobicContact CG1-CD2 4.46Å; V260-L401 HydrophobicContact CG1-CG 4Å; V260-F402 CarbonylContact C-O 3.52Å; V260-F402 VanDerWaalsContact CA-O 3.24Å; V260-F402 WeakPolarHBondContact CA-O 3.12Å; V260-V403 HydrophobicContact CG1-CG2 4.31Å; V260-V403 HydrophobicContact CG2-CG1 4.39Å
261	L	98.3	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.9	172.7	178.2	161.4	0	0	0	109.3	C263 I332 G334 I335 F359 F362 F402	L261-C263 HydrophobicContact CD2-CB 3.92Å; L261-I332 HydrophobicContact CD1-CD1 4.45Å; L261-I332 HydrophobicContact CD1-CG2 4.37Å; L261-I332 HydrophobicContact CD2-CG2 4.39Å; L261-I332 HydrophobicContact CG-CG2 4.18Å; L261-G334 WeakPolarHBondContact CA-O 3.35Å; L261-I335 HydrophobicContact CB-CG1 4.05Å; L261-I335 HydrophobicContact CD1-CD1 3.67Å; L261-I335 HydrophobicContact CD1-CG1 3.82Å; L261-I335 HydrophobicContact CG-CD1 4.23Å; L261-I335 HydrophobicContact CG-CG1 3.79Å; L261-F359 HydrophobicContact CD1-CD1 4.21Å; L261-F359 HydrophobicContact CD1-CE1 3.82Å; L261-F359 HydrophobicContact CD1-CZ 4.1Å; L261-F359 HydrophobicContact CD2-CE1 4.21Å; L261-F359 HydrophobicContact CD2-CZ 4.03Å; L261-F362 HydrophobicContact CB-CD1 4.09Å; L261-F362 HydrophobicContact CB-CD2 4.13Å; L261-F362 HydrophobicContact CB-CE1 3.63Å; L261-F362 HydrophobicContact CB-CE2 3.68Å; L261-F362 HydrophobicContact CB-CG 4.31Å; L261-F362 HydrophobicContact CB-CZ 3.41Å; L261-F362 VanDerWaalsContact CB-CZ 3.41Å; L261-F362 HydrophobicContact CD1-CB 4.26Å; L261-F362 HydrophobicContact CD1-CD1 3.8Å; L261-F362 HydrophobicContact CD1-CD2 4.33Å; L261-F362 HydrophobicContact CD1-CE1 4.18Å; L261-F362 HydrophobicContact CD1-CG 3.88Å; L261-F402 HydrophobicContact CB-CB 4.11Å; L261-F402 HydrophobicContact CD2-CD2 3.8Å; L261-F402 HydrophobicContact CD2-CE2 4.38Å; L261-F402 HydrophobicContact CD2-CG 4.41Å; L261-F402 PolarHBondContact N-O 3.02Å; L261-F402 PolarHBondContact O-N 3.09Å
262	D	98.2	Very high	95.7	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.5	175.9	-171.3	-37.3	0	0	0	109.5	L191 E333 G334 S399 L401	L191-D262 HydrophobicContact CB-CB 4.32Å; L191-D262 HydrophobicContact CD1-CB 4.07Å; D262-E333 HydrophobicContact CB-CB 4.38Å; D262-E333 PolarHBondContact O-N 3.38Å; D262-G334 PolarHBondContact N-O 2.96Å; D262-S399 WeakPolarHBondContact OD1-CB 3.2Å; D262-S399 PolarHBondContact OD1-OG 2.74Å; D262-L401 HydrophobicContact CB-CD1 4.36Å
263	C	98.1	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.2	179.6	-170.8	0	0	0	0	109.9	L261 M265 F330 R331 S399 L400 F402	L261-C263 HydrophobicContact CD2-CB 3.92Å; C263-M265 PolarHBondContact O-N 3.17Å; C263-F330 WeakPolarHBondContact SG-CD2 3.39Å; C263-R331 CarbonylContact C-O 3.32Å; C263-R331 WeakPolarHBondContact CA-O 3.42Å; C263-S399 CarbonylContact O-C 3.47Å; C263-S399 WeakPolarHBondContact O-CA 3.36Å; C263-S399 WeakPolarHBondContact O-CB 3.45Å; C263-L400 HydrophobicContact CB-CB 4.41Å; C263-L400 PolarHBondContact N-O 3.18Å; C263-L400 PolarHBondContact O-N 3.23Å; C263-F402 HydrophobicContact CB-CD2 4.39Å; C263-F402 HydrophobicContact CB-CE2 4.01Å
264	K	98.4	Very high	95.3	Very high	34 Å²	34	18.8 Å²	18.8	15%	0.148	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.2	176.6	-169.9	165.5	-70.5	-77.8	0	110.1	T269 F330 R331 E333 G397 S399	K264-T269 HydrophobicContact CD-CG2 3.91Å; K264-T269 HydrophobicContact CG-CG2 4.11Å; K264-F330 CarbonylContact O-C 3.53Å; K264-F330 WeakPolarHBondContact O-CA 3.48Å; K264-F330 WeakPolarHBondContact O-CB 3.24Å; K264-R331 HydrophobicContact CB-CG 4.14Å; K264-R331 VanDerWaalsContact CD-NH2 3.29Å; K264-R331 PolarHBondContact N-O 3.4Å; K264-R331 PolarHBondContact O-N 3.39Å; K264-E333 HydrophobicContact CB-CG 3.69Å; K264-E333 HydrophobicContact CD-CG 4.4Å; K264-E333 VanDerWaalsContact CE-OE2 3.29Å; K264-E333 WeakPolarHBondContact CE-OE2 3.48Å; K264-G397 PolarHBondContact NZ-O 3.19Å; K264-S399 WeakPolarHBondContact CA-OG 3.48Å
265	M	98.7	Very high	95.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	153.5	-172.3	-59.3	-56.3	-64.1	0	0	112.1	C263 F330 S398 L400 Y444 L448	C263-M265 PolarHBondContact O-N 3.17Å; M265-F330 HydrophobicContact CE-CB 4.16Å; M265-F330 HydrophobicContact SD-CB 3.82Å; M265-S398 PolarHBondContact N-O 3.39Å; M265-L400 HydrophobicContact CE-CD1 3.88Å; M265-L400 HydrophobicContact CG-CB 4.44Å; M265-L400 HydrophobicContact CG-CD1 4.22Å; M265-L400 HydrophobicContact CG-CG 3.86Å; M265-L400 HydrophobicContact SD-CB 4.29Å; M265-L400 HydrophobicContact SD-CD1 3.64Å; M265-L400 HydrophobicContact SD-CG 3.87Å; M265-Y444 HydrophobicContact CB-CD2 3.61Å; M265-Y444 HydrophobicContact CB-CE1 4.43Å; M265-Y444 HydrophobicContact CB-CE2 3.3Å; M265-Y444 HydrophobicContact CB-CG 4.29Å; M265-Y444 HydrophobicContact CE-CE1 4.35Å; M265-Y444 HydrophobicContact CG-CD2 4.5Å; M265-Y444 HydrophobicContact CG-CE1 4.41Å; M265-Y444 HydrophobicContact CG-CE2 3.79Å; M265-L448 HydrophobicContact CE-CB 4.28Å
266	G	98.3	Very high	94.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	101.7	155.5	178	0	0	0	0	0	113.6	G329 D442	G266-G329 CarbonylContact C-O 3.52Å; G266-G329 VanDerWaalsContact C-O 3.32Å; G266-G329 WeakPolarHBondContact CA-O 3.47Å; G266-G329 PolarHBondContact N-O 3.35Å; G266-G329 CarbonylContact O-C 3.49Å; G266-D442 CarbonylContact C-O 3.03Å; G266-D442 WeakPolarHBondContact CA-O 3.4Å
267	V	97.8	Very high	94.6	Very high	22 Å²	22	22.6 Å²	22.6	13%	0.133	12%	0.119	C	C	.	.	S	Bend	trans	-75.2	-19.9	172.3	-62.9	0	0	0	0	112.4	S325 W435 D442 L446	V267-S325 WeakPolarHBondContact CA-O 3.49Å; V267-W435 HydrophobicContact CG2-CB 4.13Å; V267-D442 WeakPolarHBondContact CG2-O 3.27Å; V267-D442 PolarHBondContact N-O 3.18Å; V267-L446 HydrophobicContact CG1-CD2 3.82Å
268	R	94.9	Very high	94.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	11%	0.114	C	C	.	.			trans	-129.7	144.5	-176.8	177.3	171.1	53.3	86.5	1	110.2	Y270 E394 I396 R440 E441	R268-Y270 WeakPolarHBondContact CD-O 3.21Å; R268-Y270 HydrophobicContact CG-CD1 3.92Å; R268-Y270 HydrophobicContact CG-CD2 4.39Å; R268-Y270 HydrophobicContact CG-CE1 3.73Å; R268-Y270 HydrophobicContact CG-CE2 4.22Å; R268-Y270 HydrophobicContact CG-CG 4.25Å; R268-Y270 VanDerWaalsContact CG-O 3.3Å; R268-Y270 WeakPolarHBondContact CG-O 3.15Å; R268-Y270 PolarHBondContact NH1-O 3.36Å; R268-E394 IonicContact CZ-OE1 3.88Å; R268-E394 IonicContact NH1-OE1 3.11Å; R268-E394 PolarHBondContact NH1-OE1 3.28Å; R268-E394 IonicContact NH2-OE1 3.63Å; R268-E394 PolarHBondContact NH2-OE1 2.84Å; R268-I396 HydrophobicContact CB-CD1 4.27Å; R268-I396 HydrophobicContact CG-CD1 4.36Å; R268-I396 VanDerWaalsContact O-CD1 3.31Å; R268-I396 WeakPolarHBondContact O-CD1 3.41Å; R268-R440 PolarHBondContact NH2-O 3.31Å; R268-E441 PolarHBondContact NH2-O 3.3Å
269	T	93.5	Very high	93.9	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	14%	0.138	C	C	.	.			trans	-129.7	15.8	-174.2	56.6	0	0	0	0	115	K264 M316 E320 R331	K264-T269 HydrophobicContact CD-CG2 3.91Å; K264-T269 HydrophobicContact CG-CG2 4.11Å; T269-M316 WeakPolarHBondContact OG1-CE 3.49Å; T269-E320 WeakPolarHBondContact CA-OE1 3.22Å; T269-E320 WeakPolarHBondContact CB-OE1 3.5Å; T269-E320 PolarHBondContact N-OE1 2.85Å; T269-E320 PolarHBondContact OG1-OE1 3.2Å; T269-R331 PolarHBondContact OG1-NH1 3.13Å; T269-R331 PolarHBondContact OG1-NH2 2.88Å
270	Y	92.4	Very high	93.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	17%	0.168	C	C	.	.	S	Bend	trans	-132.1	149.7	170.9	57.8	-85.3	0	0	0	109.1	R268 E274 L275 M316 Q317 E320	R268-Y270 WeakPolarHBondContact CD-O 3.21Å; R268-Y270 HydrophobicContact CG-CD1 3.92Å; R268-Y270 HydrophobicContact CG-CD2 4.39Å; R268-Y270 HydrophobicContact CG-CE1 3.73Å; R268-Y270 HydrophobicContact CG-CE2 4.22Å; R268-Y270 HydrophobicContact CG-CG 4.25Å; R268-Y270 VanDerWaalsContact CG-O 3.3Å; R268-Y270 WeakPolarHBondContact CG-O 3.15Å; R268-Y270 PolarHBondContact NH1-O 3.36Å; Y270-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y270-E274 WeakPolarHBondContact CB-OE2 3.24Å; Y270-L275 HydrophobicContact CE2-CB 4.25Å; Y270-L275 HydrophobicContact CE2-CD1 4.32Å; Y270-L275 HydrophobicContact CE2-CD2 4.48Å; Y270-M316 HydrophobicContact CD1-CB 3.62Å; Y270-M316 HydrophobicContact CD1-CG 4.45Å; Y270-M316 HydrophobicContact CE1-CB 4.33Å; Y270-M316 HydrophobicContact CG-CB 4.38Å; Y270-Q317 HydrophobicContact CE1-CG 3.63Å; Y270-Q317 WeakPolarHBondContact OH-CG 3.28Å; Y270-Q317 PolarHBondContact OH-NE2 3.31Å; Y270-E320 WeakPolarHBondContact CD1-OE1 3.3Å; Y270-E320 WeakPolarHBondContact CE1-OE1 3.33Å; Y270-E320 WeakPolarHBondContact CE1-OE2 3.27Å
271	L	94.1	Very high	93.2	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	20%	0.201	C	C	.	.			trans	-74.5	152.6	177	-70.3	167.7	0	0	0	111.2	E273 E274 L275 E394 I396 K419 T421	L271-E273 HydrophobicContact CB-CG 3.61Å; L271-E273 HydrophobicContact CD1-CG 4.16Å; L271-E273 HydrophobicContact CG-CG 4.48Å; L271-E273 PolarHBondContact O-N 3.1Å; L271-E274 HydrophobicContact CB-CG 4.2Å; L271-E274 PolarHBondContact N-OE2 2.88Å; L271-E274 WeakPolarHBondContact O-CB 3.27Å; L271-E274 PolarHBondContact O-N 2.93Å; L271-L275 PolarHBondContact O-N 2.91Å; L271-E394 HydrophobicContact CD2-CG 4.35Å; L271-I396 HydrophobicContact CD2-CB 4.1Å; L271-I396 HydrophobicContact CD2-CG1 4.17Å; L271-I396 HydrophobicContact CD2-CG2 4.49Å; L271-K419 HydrophobicContact CD1-CB 4.33Å; L271-K419 WeakPolarHBondContact CD2-O 3.45Å; L271-K419 HydrophobicContact CG-CB 4.42Å; L271-T421 HydrophobicContact CD1-CG2 4.08Å; L271-T421 HydrophobicContact CD2-CG2 4.22Å
272	E	92.1	Very high	92.8	Very high	23 Å²	23	48.4 Å²	48.4	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-36.9	174.9	-68.4	-165.8	167.2	0	0	112	E274 L275 T276 W435 G438 R440	E272-E274 VanDerWaalsContact C-N 3.25Å; E272-E274 PolarHBondContact O-N 3.23Å; E272-L275 WeakPolarHBondContact O-CA 3.47Å; E272-L275 VanDerWaalsContact O-CB 3.23Å; E272-L275 WeakPolarHBondContact O-CB 3.41Å; E272-L275 PolarHBondContact O-N 3.49Å; E272-T276 PolarHBondContact O-N 3.39Å; E272-T276 PolarHBondContact O-OG1 2.99Å; E272-W435 HydrophobicContact CG-CZ2 4.48Å; E272-W435 PolarHBondContact OE1-NE1 3.01Å; E272-G438 PolarHBondContact OE1-N 3.32Å; E272-G438 WeakPolarHBondContact OE2-CA 3.29Å; E272-G438 PolarHBondContact OE2-N 3.02Å; E272-R440 WeakPolarHBondContact OE1-CA 3.25Å; E272-R440 PolarHBondContact OE1-N 3.09Å; E272-R440 WeakPolarHBondContact OE2-CG 3.23Å
273	E	89.8	Confident	92.4	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-30.1	173.9	51.5	159.7	-118.5	0	0	113.5	L271 L275 T276 K277	L271-E273 HydrophobicContact CB-CG 3.61Å; L271-E273 HydrophobicContact CD1-CG 4.16Å; L271-E273 HydrophobicContact CG-CG 4.48Å; L271-E273 PolarHBondContact O-N 3.1Å; E273-L275 VanDerWaalsContact C-N 3.26Å; E273-L275 PolarHBondContact O-N 3.48Å; E273-T276 PolarHBondContact O-N 3.18Å; E273-K277 VanDerWaalsContact O-CB 3.3Å; E273-K277 WeakPolarHBondContact O-CB 3.4Å; E273-K277 WeakPolarHBondContact O-CG 3.04Å; E273-K277 PolarHBondContact O-N 2.7Å; E273-K277 IonicContact OE1-NZ 2.63Å; E273-K277 PolarHBondContact OE1-NZ 3Å
274	E	89.2	Confident	92.2	Very high	29 Å²	29	58 Å²	58	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-31.6	173.3	-69.2	179.7	114.4	0	0	110.5	Y270 L271 E272 A278 K312 K419	Y270-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y270-E274 WeakPolarHBondContact CB-OE2 3.24Å; L271-E274 HydrophobicContact CB-CG 4.2Å; L271-E274 PolarHBondContact N-OE2 2.88Å; L271-E274 WeakPolarHBondContact O-CB 3.27Å; L271-E274 PolarHBondContact O-N 2.93Å; E272-E274 VanDerWaalsContact C-N 3.25Å; E272-E274 PolarHBondContact O-N 3.23Å; E274-A278 VanDerWaalsContact O-CB 3.29Å; E274-A278 WeakPolarHBondContact O-CB 3.4Å; E274-A278 PolarHBondContact O-N 2.83Å; E274-A278 VanDerWaalsContact O-N 3.09Å; E274-K312 WeakPolarHBondContact OE1-CE 3.23Å; E274-K312 IonicContact OE1-NZ 3.1Å; E274-K312 PolarHBondContact OE1-NZ 3.14Å; E274-K419 VanDerWaalsContact CD-NZ 3.26Å; E274-K419 IonicContact OE1-NZ 3.02Å; E274-K419 PolarHBondContact OE1-NZ 3.31Å; E274-K419 IonicContact OE2-NZ 2.86Å; E274-K419 PolarHBondContact OE2-NZ 3.23Å
275	L	88.9	Confident	92.1	Very high	13 Å²	13	59 Å²	59	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-46.7	175	-168.5	68	0	0	0	111	Y270 L271 E272 E273 A278 R279 P313 W435 E437	Y270-L275 HydrophobicContact CE2-CB 4.25Å; Y270-L275 HydrophobicContact CE2-CD1 4.32Å; Y270-L275 HydrophobicContact CE2-CD2 4.48Å; L271-L275 PolarHBondContact O-N 2.91Å; E272-L275 WeakPolarHBondContact O-CA 3.47Å; E272-L275 VanDerWaalsContact O-CB 3.23Å; E272-L275 WeakPolarHBondContact O-CB 3.41Å; E272-L275 PolarHBondContact O-N 3.49Å; E273-L275 VanDerWaalsContact C-N 3.26Å; E273-L275 PolarHBondContact O-N 3.48Å; L275-A278 PolarHBondContact O-N 2.9Å; L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.1Å; L275-P313 HydrophobicContact CD1-CB 3.76Å; L275-P313 HydrophobicContact CD1-CG 4.43Å; L275-W435 HydrophobicContact CD2-CH2 4.4Å; L275-E437 HydrophobicContact CD2-CG 4.31Å
276	T	89.7	Confident	92	Very high	62 Å²	62	65.8 Å²	65.8	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-49.8	175.7	-49.4	0	0	0	0	111.1	E272 E273 A278 R279 E280	E272-T276 PolarHBondContact O-N 3.39Å; E272-T276 PolarHBondContact O-OG1 2.99Å; E273-T276 PolarHBondContact O-N 3.18Å; T276-A278 VanDerWaalsContact C-N 3.3Å; T276-A278 PolarHBondContact O-N 2.82Å; T276-R279 WeakPolarHBondContact O-CB 3.29Å; T276-R279 PolarHBondContact O-N 2.96Å; T276-R279 VanDerWaalsContact O-N 3.08Å; T276-E280 PolarHBondContact O-N 2.88Å
277	K	89.8	Confident	91.7	Very high	118 Å²	118	68.1 Å²	68.1	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-39.7	177.7	-74.2	169.7	-176.4	168.5	0	112.1	E273 R279 E280 R281	E273-K277 VanDerWaalsContact O-CB 3.3Å; E273-K277 WeakPolarHBondContact O-CB 3.4Å; E273-K277 WeakPolarHBondContact O-CG 3.04Å; E273-K277 PolarHBondContact O-N 2.7Å; E273-K277 IonicContact OE1-NZ 2.63Å; E273-K277 PolarHBondContact OE1-NZ 3Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 3.39Å; K277-E280 PolarHBondContact O-N 3.4Å; K277-R281 CarbonylContact O-C 3.59Å; K277-R281 PolarHBondContact O-N 2.63Å
278	A	88	Confident	91.6	Very high	20 Å²	20	67 Å²	67	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-28.2	178.2	0	0	0	0	0	113.5	E274 L275 T276 P282 P313	E274-A278 VanDerWaalsContact O-CB 3.29Å; E274-A278 WeakPolarHBondContact O-CB 3.4Å; E274-A278 PolarHBondContact O-N 2.83Å; E274-A278 VanDerWaalsContact O-N 3.09Å; L275-A278 PolarHBondContact O-N 2.9Å; T276-A278 VanDerWaalsContact C-N 3.3Å; T276-A278 PolarHBondContact O-N 2.82Å; A278-P282 VanDerWaalsContact O-CA 3.29Å; A278-P282 WeakPolarHBondContact O-CA 3.46Å; A278-P282 WeakPolarHBondContact O-CB 3.36Å; A278-P313 HydrophobicContact CB-CG 3.61Å
279	R	87.7	Confident	91.7	Very high	161 Å²	161	68 Å²	68	61%	0.608	31%	0.313	S	S	*	.	H	α-helix	trans	-72.9	-40.4	172.6	-71.5	-179.2	-179.2	167.3	8.4	111.8	L275 T276 K277 E437	L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.1Å; T276-R279 WeakPolarHBondContact O-CB 3.29Å; T276-R279 PolarHBondContact O-N 2.96Å; T276-R279 VanDerWaalsContact O-N 3.08Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 3.39Å; R279-E437 IonicContact CZ-OE1 2.71Å; R279-E437 VanDerWaalsContact CZ-OE1 3.31Å; R279-E437 IonicContact CZ-OE2 3.56Å; R279-E437 IonicContact NH1-OE1 3.41Å; R279-E437 PolarHBondContact NH1-OE1 3.23Å; R279-E437 IonicContact NH1-OE2 3.16Å; R279-E437 PolarHBondContact NH1-OE2 3.32Å; R279-E437 IonicContact NH2-OE1 3.98Å; R279-E437 PolarHBondContact NH2-OE1 3.45Å; R279-E437 IonicContact NH2-OE2 3.88Å; R279-E437 PolarHBondContact NH2-OE2 3.2Å
280	E	90.8	Very high	91.8	Very high	144 Å²	144	74.8 Å²	74.8	67%	0.673	34%	0.343	S	S	*	.	H	α-helix	trans	-73.7	-44.8	179	-67.9	177.5	-178.7	0	0	112.5	T276 K277	T276-E280 PolarHBondContact O-N 2.88Å; K277-E280 PolarHBondContact O-N 3.4Å
281	R	89.6	Confident	91.8	Very high	186 Å²	186	76.4 Å²	76.4	70%	0.702	35%	0.35	S	S	*	.	S	Bend	trans	-139.2	79.1	-173.5	-61.7	-178.8	75.1	-175.9	2.2	109.9	K277 K283	K277-R281 CarbonylContact O-C 3.59Å; K277-R281 PolarHBondContact O-N 2.63Å; R281-K283 PolarHBondContact O-N 2.9Å
282	P	88.4	Confident	91.8	Very high	82 Å²	82	76 Å²	76	53%	0.532	35%	0.347	S	S	.	.			trans	-64.8	110.1	-176.7	24.7	-33.2	0	0	0	111.2	A278 T311	A278-P282 VanDerWaalsContact O-CA 3.29Å; A278-P282 WeakPolarHBondContact O-CA 3.46Å; A278-P282 WeakPolarHBondContact O-CB 3.36Å; P282-T311 HydrophobicContact CB-CG2 4.16Å
283	K	91.4	Very high	91.9	Very high	118 Å²	118	77.7 Å²	77.7	51%	0.513	36%	0.357	S	S	.	.			trans	-89.7	112.1	169.9	-69.7	-174.5	-176.8	176.7	0	109.6	D140 R281	D140-K283 IonicContact OD2-NZ 2.65Å; D140-K283 PolarHBondContact OD2-NZ 2.84Å; R281-K283 PolarHBondContact O-N 2.9Å
284	L	93.6	Very high	92.1	Very high	88 Å²	88	77.1 Å²	77.1	46%	0.461	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.1	-179.4	-68.2	179.2	0	0	0	112.3	Q307 A309 T311	L284-Q307 VanDerWaalsContact CD1-OE1 3.27Å; L284-A309 HydrophobicContact CB-CB 3.76Å; L284-T311 HydrophobicContact CD2-CG2 4.14Å
285	R	95.3	Very high	92.3	Very high	56 Å²	56	78.8 Å²	78.8	21%	0.211	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	106.6	-172.8	-64.6	-67.7	-63.6	-82	-7.3	111.6	D144 D287 M288 Y289 V310	D144-R285 VanDerWaalsContact CB-NH2 3.29Å; D144-R285 IonicContact OD2-CZ 3.29Å; D144-R285 IonicContact OD2-NH1 3.24Å; D144-R285 PolarHBondContact OD2-NH1 2.81Å; D144-R285 IonicContact OD2-NH2 3.25Å; D144-R285 PolarHBondContact OD2-NH2 3.25Å; R285-D287 WeakPolarHBondContact CB-OD1 3.26Å; R285-D287 IonicContact CZ-OD1 3.88Å; R285-D287 IonicContact CZ-OD2 3.19Å; R285-D287 IonicContact NE-OD1 2.71Å; R285-D287 PolarHBondContact NE-OD1 3.12Å; R285-D287 IonicContact NE-OD2 3.8Å; R285-D287 IonicContact NH2-OD1 3.74Å; R285-D287 IonicContact NH2-OD2 2.71Å; R285-D287 PolarHBondContact NH2-OD2 3.32Å; R285-M288 HydrophobicContact CB-CB 4Å; R285-M288 HydrophobicContact CB-CG 4.04Å; R285-M288 HydrophobicContact CB-SD 3.87Å; R285-M288 HydrophobicContact CG-SD 4.07Å; R285-Y289 PolarHBondContact O-N 3.43Å; R285-V310 WeakPolarHBondContact CA-O 3.3Å; R285-V310 WeakPolarHBondContact CB-O 3.33Å; R285-V310 PolarHBondContact N-O 2.92Å; R285-V310 PolarHBondContact O-N 3.04Å
286	K	96.1	Very high	92.4	Very high	142 Å²	142	81.1 Å²	81.1	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-70.5	-31.5	179.1	-64.7	-175.8	177.3	175.6	0	112.8	K290 R308 A309	K286-K290 WeakPolarHBondContact O-CG 3.37Å; K286-K290 PolarHBondContact O-N 3.28Å; K286-K290 VanDerWaalsContact O-N 3.16Å; K286-R308 WeakPolarHBondContact CG-O 3.3Å; K286-A309 HydrophobicContact CG-CB 4.09Å
287	D	93.5	Very high	92.7	Very high	49 Å²	49	81.7 Å²	81.7	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-66.1	-44.5	177.4	58.9	-50.8	0	0	0	111.5	R285 K290 K291	R285-D287 WeakPolarHBondContact CB-OD1 3.26Å; R285-D287 IonicContact CZ-OD1 3.88Å; R285-D287 IonicContact CZ-OD2 3.19Å; R285-D287 IonicContact NE-OD1 2.71Å; R285-D287 PolarHBondContact NE-OD1 3.12Å; R285-D287 IonicContact NE-OD2 3.8Å; R285-D287 IonicContact NH2-OD1 3.74Å; R285-D287 IonicContact NH2-OD2 2.71Å; R285-D287 PolarHBondContact NH2-OD2 3.32Å; D287-K290 PolarHBondContact O-N 3.06Å; D287-K291 WeakPolarHBondContact O-CG 3.2Å; D287-K291 PolarHBondContact O-N 2.81Å
288	M	94.7	Very high	93	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-65.1	-41.9	176.1	-72.4	178.6	169.1	0	0	112.5	D144 R285 K290 K291 M292 V310 K312 Y315	D144-M288 HydrophobicContact CB-CE 4.36Å; D144-M288 WeakPolarHBondContact OD1-CE 3.21Å; D144-M288 WeakPolarHBondContact OD2-CE 3.45Å; R285-M288 HydrophobicContact CB-CB 4Å; R285-M288 HydrophobicContact CB-CG 4.04Å; R285-M288 HydrophobicContact CB-SD 3.87Å; R285-M288 HydrophobicContact CG-SD 4.07Å; M288-K290 PolarHBondContact O-N 3.15Å; M288-K291 PolarHBondContact O-N 2.94Å; M288-M292 WeakPolarHBondContact O-CB 3.32Å; M288-M292 PolarHBondContact O-N 3.14Å; M288-V310 HydrophobicContact CB-CG2 3.48Å; M288-V310 VanDerWaalsContact CB-CG2 3.48Å; M288-K312 HydrophobicContact CE-CB 4.11Å; M288-K312 HydrophobicContact CE-CD 4.43Å; M288-K312 HydrophobicContact CE-CG 3.87Å; M288-K312 HydrophobicContact SD-CB 4Å; M288-K312 HydrophobicContact SD-CG 4.36Å; M288-Y315 HydrophobicContact CB-CD1 4.36Å; M288-Y315 HydrophobicContact CB-CD2 3.79Å; M288-Y315 HydrophobicContact CB-CE2 4.36Å; M288-Y315 HydrophobicContact CB-CG 3.78Å; M288-Y315 HydrophobicContact CE-CD1 4.02Å; M288-Y315 HydrophobicContact CG-CD1 3.92Å; M288-Y315 HydrophobicContact CG-CD2 4.23Å; M288-Y315 HydrophobicContact CG-CE1 4.38Å; M288-Y315 HydrophobicContact CG-CG 3.84Å; M288-Y315 HydrophobicContact SD-CD1 3.93Å; M288-Y315 HydrophobicContact SD-CG 3.94Å
289	Y	96.5	Very high	93.3	Very high	22 Å²	22	83.7 Å²	83.7	9%	0.086	41%	0.409	C	S	.	.	H	α-helix	trans	-57.4	-48.3	174.8	168.6	-98.9	0	0	0	111.8	R285 K291 M292 L293 P300 H305 R308 V310	R285-Y289 PolarHBondContact O-N 3.43Å; Y289-K291 VanDerWaalsContact C-N 3.28Å; Y289-K291 PolarHBondContact O-N 2.91Å; Y289-M292 PolarHBondContact O-N 2.89Å; Y289-L293 HydrophobicContact CE1-CD2 4.22Å; Y289-L293 WeakPolarHBondContact O-CB 3.24Å; Y289-L293 PolarHBondContact O-N 2.72Å; Y289-P300 HydrophobicContact CD2-CB 4.22Å; Y289-P300 HydrophobicContact CD2-CG 4.23Å; Y289-P300 HydrophobicContact CE2-CB 3.87Å; Y289-P300 HydrophobicContact CE2-CG 3.88Å; Y289-H305 AromaticContact CE2-ND1 3.71Å; Y289-H305 AromaticContact CZ-ND1 3.76Å; Y289-H305 PolarHBondContact OH-ND1 3.27Å; Y289-R308 VanDerWaalsContact CD1-C 3.44Å; Y289-R308 HydrophobicContact CD1-CB 4.1Å; Y289-R308 WeakPolarHBondContact CD1-O 3.29Å; Y289-R308 HydrophobicContact CE1-CB 3.93Å; Y289-R308 HydrophobicContact CE1-CG 4.31Å; Y289-R308 VanDerWaalsContact CG-C 3.41Å; Y289-V310 HydrophobicContact CD2-CG1 4.18Å
290	K	95.8	Very high	93.8	Very high	146 Å²	146	76.4 Å²	76.4	64%	0.635	38%	0.383	S	S	*	.	H	α-helix	trans	-59.8	-38.2	178.4	-73.6	176.8	-177.4	-178.8	0	112.6	K286 D287 M288 A294	K286-K290 WeakPolarHBondContact O-CG 3.37Å; K286-K290 PolarHBondContact O-N 3.28Å; K286-K290 VanDerWaalsContact O-N 3.16Å; D287-K290 PolarHBondContact O-N 3.06Å; M288-K290 PolarHBondContact O-N 3.15Å; K290-A294 VanDerWaalsContact O-CB 3.29Å; K290-A294 WeakPolarHBondContact O-CB 3.11Å; K290-A294 PolarHBondContact O-N 3.08Å
291	K	92.6	Very high	94.1	Very high	37 Å²	37	72.5 Å²	72.5	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-43	176.5	-68.7	163.8	177.3	-174.6	0	111.6	E146 D287 M288 Y289 A294 V295 Y315	E146-K291 VanDerWaalsContact O-CE 3.29Å; E146-K291 WeakPolarHBondContact O-CE 3.47Å; E146-K291 PolarHBondContact O-NZ 2.82Å; E146-K291 WeakPolarHBondContact OE2-CD 3.39Å; E146-K291 WeakPolarHBondContact OE2-CE 3.37Å; E146-K291 IonicContact OE2-NZ 3.18Å; E146-K291 PolarHBondContact OE2-NZ 2.65Å; E146-K291 VanDerWaalsContact OE2-NZ 3.11Å; D287-K291 WeakPolarHBondContact O-CG 3.2Å; D287-K291 PolarHBondContact O-N 2.81Å; M288-K291 PolarHBondContact O-N 2.94Å; Y289-K291 VanDerWaalsContact C-N 3.28Å; Y289-K291 PolarHBondContact O-N 2.91Å; K291-A294 PolarHBondContact O-N 3.49Å; K291-V295 WeakPolarHBondContact O-CG2 3.42Å; K291-V295 PolarHBondContact O-N 2.91Å; K291-Y315 HydrophobicContact CB-CE2 3.96Å
292	M	94.8	Very high	94.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.7	-51.2	177.4	-162.7	161.1	82.8	0	0	110.3	M288 Y289 A294 V295 D296 A299 P300 V310 Y315 W318	M288-M292 WeakPolarHBondContact O-CB 3.32Å; M288-M292 PolarHBondContact O-N 3.14Å; Y289-M292 PolarHBondContact O-N 2.89Å; M292-A294 VanDerWaalsContact C-N 3.3Å; M292-A294 PolarHBondContact O-N 3.09Å; M292-V295 PolarHBondContact O-N 3.21Å; M292-V295 VanDerWaalsContact O-N 3.1Å; M292-D296 PolarHBondContact O-N 3.01Å; M292-A299 HydrophobicContact CG-CB 3.98Å; M292-P300 HydrophobicContact CE-CB 3.5Å; M292-P300 VanDerWaalsContact CE-CB 3.5Å; M292-P300 HydrophobicContact CE-CG 3.46Å; M292-P300 VanDerWaalsContact CE-CG 3.46Å; M292-V310 HydrophobicContact CE-CG1 3.6Å; M292-V310 HydrophobicContact SD-CG1 4.48Å; M292-Y315 HydrophobicContact CB-CD2 4.35Å; M292-Y315 HydrophobicContact CB-CE2 4.45Å; M292-W318 HydrophobicContact CB-CE3 4.33Å; M292-W318 HydrophobicContact CB-CH2 4.25Å; M292-W318 HydrophobicContact CB-CZ2 4.5Å; M292-W318 HydrophobicContact CB-CZ3 4.15Å; M292-W318 HydrophobicContact CG-CD2 3.59Å; M292-W318 HydrophobicContact CG-CE3 3.73Å; M292-W318 HydrophobicContact CG-CG 4.19Å; M292-W318 HydrophobicContact CG-CH2 3.96Å; M292-W318 HydrophobicContact CG-CZ2 3.79Å; M292-W318 HydrophobicContact CG-CZ3 3.93Å; M292-W318 HydrophobicContact SD-CB 4.19Å; M292-W318 HydrophobicContact SD-CD2 3.8Å; M292-W318 HydrophobicContact SD-CE3 4.03Å; M292-W318 HydrophobicContact SD-CG 3.85Å
293	L	94.6	Very high	94.9	Very high	59 Å²	59	72.8 Å²	72.8	31%	0.309	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-36.2	177.2	-166.2	77.5	0	0	0	113.4	Y289 V295 P297 P300	Y289-L293 HydrophobicContact CE1-CD2 4.22Å; Y289-L293 WeakPolarHBondContact O-CB 3.24Å; Y289-L293 PolarHBondContact O-N 2.72Å; L293-V295 VanDerWaalsContact C-N 3.27Å; L293-V295 PolarHBondContact O-N 2.83Å; L293-P297 HydrophobicContact CD1-CB 4.34Å; L293-P300 HydrophobicContact CD1-CG 4.23Å
294	A	93.2	Very high	95.1	Very high	87 Å²	87	68.1 Å²	68.1	72%	0.719	35%	0.351	S	S	*	.	H	α-helix	trans	-69.8	-24	179.3	0	0	0	0	0	113.3	K290 K291 M292	K290-A294 VanDerWaalsContact O-CB 3.29Å; K290-A294 WeakPolarHBondContact O-CB 3.11Å; K290-A294 PolarHBondContact O-N 3.08Å; K291-A294 PolarHBondContact O-N 3.49Å; M292-A294 VanDerWaalsContact C-N 3.3Å; M292-A294 PolarHBondContact O-N 3.09Å
295	V	92.8	Very high	95.3	Very high	65 Å²	65	66.3 Å²	66.3	39%	0.394	34%	0.34	S	S	.	.	H	α-helix	trans	-94	-44.7	177.9	175.8	0	0	0	0	110.8	K291 M292 L293 W318 I322 T348	K291-V295 WeakPolarHBondContact O-CG2 3.42Å; K291-V295 PolarHBondContact O-N 2.91Å; M292-V295 PolarHBondContact O-N 3.21Å; M292-V295 VanDerWaalsContact O-N 3.1Å; L293-V295 VanDerWaalsContact C-N 3.27Å; L293-V295 PolarHBondContact O-N 2.83Å; V295-W318 HydrophobicContact CB-CH2 3.64Å; V295-W318 HydrophobicContact CB-CZ2 3.82Å; V295-W318 HydrophobicContact CG1-CH2 3.91Å; V295-W318 HydrophobicContact CG1-CZ2 3.82Å; V295-W318 HydrophobicContact CG2-CH2 3.97Å; V295-I322 HydrophobicContact CG1-CD1 3.83Å; V295-T348 HydrophobicContact CG1-CG2 3.81Å
296	D	92.6	Very high	95.4	Very high	62 Å²	62	67.7 Å²	67.7	33%	0.332	36%	0.363	S	S	.	.			trans	-145.9	105.2	-179.2	-175.8	-2.6	0	0	0	109.8	M292 E298 A299 W318	M292-D296 PolarHBondContact O-N 3.01Å; D296-E298 PolarHBondContact O-N 2.68Å; D296-E298 PolarHBondContact OD1-N 3.04Å; D296-E298 VanDerWaalsContact OD1-N 3.11Å; D296-A299 HydrophobicContact CB-CB 3.78Å; D296-A299 WeakPolarHBondContact O-CB 3.4Å; D296-A299 PolarHBondContact O-N 2.87Å; D296-W318 HydrophobicContact CB-CZ2 4.36Å
297	P	95.3	Very high	95.4	Very high	73 Å²	73	65.8 Å²	65.8	47%	0.474	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.4	-179.7	-25.8	35.6	0	0	0	114.7	L293 P300 H305	L293-P297 HydrophobicContact CD1-CB 4.34Å; P297-P300 WeakPolarHBondContact O-CD 3.43Å; P297-H305 PolarHBondContact O-CE1 3.3Å; P297-H305 VanDerWaalsContact O-CE1 3.31Å; P297-H305 PolarHBondContact O-NE2 3.28Å
298	E	95.6	Very high	95.6	Very high	165 Å²	165	71.9 Å²	71.9	77%	0.771	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.4	-176.5	-56.1	-63.2	124.5	0	0	112.4	D296	D296-E298 PolarHBondContact O-N 2.68Å; D296-E298 PolarHBondContact OD1-N 3.04Å; D296-E298 VanDerWaalsContact OD1-N 3.11Å
299	A	95.3	Very high	95.6	Very high	16 Å²	16	72 Å²	72	13%	0.132	38%	0.377	C	S	.	.	S	Bend	trans	-70	-35.2	178.8	0	0	0	0	0	114.9	M292 D296 R314 W318	M292-A299 HydrophobicContact CG-CB 3.98Å; D296-A299 HydrophobicContact CB-CB 3.78Å; D296-A299 WeakPolarHBondContact O-CB 3.4Å; D296-A299 PolarHBondContact O-N 2.87Å; A299-R314 PolarHBondContact O-NH2 2.79Å; A299-W318 VanDerWaalsContact CB-NE1 3.27Å
300	P	97.3	Very high	95.6	Very high	8 Å²	8	71 Å²	71	5%	0.052	37%	0.373	C	S	.	.	S	Bend	trans	-71.3	147	173.4	-11.5	26	0	0	0	111.8	Y289 M292 L293 P297 E304 H305	Y289-P300 HydrophobicContact CD2-CB 4.22Å; Y289-P300 HydrophobicContact CD2-CG 4.23Å; Y289-P300 HydrophobicContact CE2-CB 3.87Å; Y289-P300 HydrophobicContact CE2-CG 3.88Å; M292-P300 HydrophobicContact CE-CB 3.5Å; M292-P300 VanDerWaalsContact CE-CB 3.5Å; M292-P300 HydrophobicContact CE-CG 3.46Å; M292-P300 VanDerWaalsContact CE-CG 3.46Å; L293-P300 HydrophobicContact CD1-CG 4.23Å; P297-P300 WeakPolarHBondContact O-CD 3.43Å; P300-E304 HydrophobicContact CB-CB 4.03Å; P300-H305 PolarHBondContact O-NE2 3.25Å
301	T	97.3	Very high	95.5	Very high	62 Å²	62	65.7 Å²	65.7	38%	0.38	35%	0.353	S	S	.	.			trans	-73.1	163.9	170.4	55.2	0	0	0	0	111.3	E303 E304 H305	T301-E303 PolarHBondContact O-N 2.96Å; T301-E304 PolarHBondContact N-OE2 3.02Å; T301-E304 PolarHBondContact O-N 3.34Å; T301-E304 VanDerWaalsContact O-N 3.09Å; T301-E304 WeakPolarHBondContact OG1-CB 3.49Å; T301-E304 VanDerWaalsContact OG1-CD 3.26Å; T301-E304 WeakPolarHBondContact OG1-CG 3.36Å; T301-E304 PolarHBondContact OG1-N 3.38Å; T301-E304 PolarHBondContact OG1-OE2 2.69Å; T301-H305 PolarHBondContact O-CD2 3.27Å; T301-H305 VanDerWaalsContact O-CD2 3.24Å; T301-H305 PolarHBondContact O-N 3.05Å
302	E	97.2	Very high	95.4	Very high	149 Å²	149	65 Å²	65	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-56.4	-39.7	175.7	-65.6	-61.1	156	0	0	111.9	H305 A306	E302-H305 PolarHBondContact O-N 2.9Å; E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 2.83Å
303	E	96.7	Very high	95.2	Very high	124 Å²	124	65.3 Å²	65.3	58%	0.579	35%	0.352	S	S	*	.	H	α-helix	trans	-65.5	-42.3	175.8	-63.7	74	-160.5	0	0	111.8	T301 H305 A306 Q307	T301-E303 PolarHBondContact O-N 2.96Å; E303-H305 VanDerWaalsContact C-N 3.35Å; E303-A306 PolarHBondContact O-N 3.06Å; E303-Q307 WeakPolarHBondContact O-CB 3.34Å; E303-Q307 VanDerWaalsContact O-CG 3.27Å; E303-Q307 WeakPolarHBondContact O-CG 3.44Å; E303-Q307 PolarHBondContact O-N 3.02Å
304	E	97	Very high	95.1	Very high	20 Å²	20	65.4 Å²	65.4	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-36	176.5	-72.4	169.9	134.5	0	0	111.9	P300 T301 Q307 R308 A309 V310 R314	P300-E304 HydrophobicContact CB-CB 4.03Å; T301-E304 PolarHBondContact N-OE2 3.02Å; T301-E304 PolarHBondContact O-N 3.34Å; T301-E304 VanDerWaalsContact O-N 3.09Å; T301-E304 WeakPolarHBondContact OG1-CB 3.49Å; T301-E304 VanDerWaalsContact OG1-CD 3.26Å; T301-E304 WeakPolarHBondContact OG1-CG 3.36Å; T301-E304 PolarHBondContact OG1-N 3.38Å; T301-E304 PolarHBondContact OG1-OE2 2.69Å; E304-Q307 PolarHBondContact O-N 3.02Å; E304-R308 WeakPolarHBondContact O-CA 3.2Å; E304-R308 PolarHBondContact O-N 3.47Å; E304-A309 PolarHBondContact O-N 3.15Å; E304-V310 HydrophobicContact CB-CG1 4.09Å; E304-V310 HydrophobicContact CG-CG1 3.92Å; E304-V310 VanDerWaalsContact OE1-CG1 3.3Å; E304-V310 WeakPolarHBondContact OE1-CG1 3.36Å; E304-R314 WeakPolarHBondContact OE1-CG 3.11Å; E304-R314 IonicContact OE1-CZ 3.39Å; E304-R314 IonicContact OE1-NE 3.86Å; E304-R314 IonicContact OE2-CZ 2.92Å; E304-R314 IonicContact OE2-NE 2.81Å; E304-R314 IonicContact OE2-NH2 2.94Å; E304-R314 PolarHBondContact OE2-NH2 2.62Å
305	H	97.8	Very high	95.2	Very high	51 Å²	51	61.8 Å²	61.8	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-45.6	171.8	-79	-56.9	0	0	0	111.9	Y289 P297 P300 T301 E302 E303 Q307 R308	Y289-H305 AromaticContact CE2-ND1 3.71Å; Y289-H305 AromaticContact CZ-ND1 3.76Å; Y289-H305 PolarHBondContact OH-ND1 3.27Å; P297-H305 PolarHBondContact O-CE1 3.3Å; P297-H305 VanDerWaalsContact O-CE1 3.31Å; P297-H305 PolarHBondContact O-NE2 3.28Å; P300-H305 PolarHBondContact O-NE2 3.25Å; T301-H305 PolarHBondContact O-CD2 3.27Å; T301-H305 VanDerWaalsContact O-CD2 3.24Å; T301-H305 PolarHBondContact O-N 3.05Å; E302-H305 PolarHBondContact O-N 2.9Å; E303-H305 VanDerWaalsContact C-N 3.35Å; H305-Q307 VanDerWaalsContact C-N 3.32Å; H305-Q307 PolarHBondContact O-N 2.9Å; H305-R308 WeakPolarHBondContact O-CG 3.42Å; H305-R308 PolarHBondContact O-N 3.4Å
306	A	97	Very high	95.2	Very high	85 Å²	85	59.7 Å²	59.7	70%	0.702	30%	0.302	S	S	*	.	H	α-helix	trans	-60.9	-42.3	177	0	0	0	0	0	111.6	E302 E303	E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 2.83Å; E303-A306 PolarHBondContact O-N 3.06Å
307	Q	96.1	Very high	95.2	Very high	102 Å²	102	60.3 Å²	60.3	48%	0.477	30%	0.303	S	S	.	.	H	α-helix	trans	-79.2	-19.2	179.5	-66.3	173.5	18.8	0	0	113.5	L284 E303 E304 H305 A309	L284-Q307 VanDerWaalsContact CD1-OE1 3.27Å; E303-Q307 WeakPolarHBondContact O-CB 3.34Å; E303-Q307 VanDerWaalsContact O-CG 3.27Å; E303-Q307 WeakPolarHBondContact O-CG 3.44Å; E303-Q307 PolarHBondContact O-N 3.02Å; E304-Q307 PolarHBondContact O-N 3.02Å; H305-Q307 VanDerWaalsContact C-N 3.32Å; H305-Q307 PolarHBondContact O-N 2.9Å; Q307-A309 PolarHBondContact O-N 2.88Å
308	R	96.8	Very high	95.3	Very high	177 Å²	177	58 Å²	58	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36	-172.1	-57.4	-179	175.7	-174.4	-1.9	112.7	K286 Y289 E304 H305	K286-R308 WeakPolarHBondContact CG-O 3.3Å; Y289-R308 VanDerWaalsContact CD1-C 3.44Å; Y289-R308 HydrophobicContact CD1-CB 4.1Å; Y289-R308 WeakPolarHBondContact CD1-O 3.29Å; Y289-R308 HydrophobicContact CE1-CB 3.93Å; Y289-R308 HydrophobicContact CE1-CG 4.31Å; Y289-R308 VanDerWaalsContact CG-C 3.41Å; E304-R308 WeakPolarHBondContact O-CA 3.2Å; E304-R308 PolarHBondContact O-N 3.47Å; H305-R308 WeakPolarHBondContact O-CG 3.42Å; H305-R308 PolarHBondContact O-N 3.4Å
309	A	96.1	Very high	95.2	Very high	3 Å²	3	51 Å²	51	3%	0.025	25%	0.252	C	S	.	.			trans	-156.3	152	-175.6	0	0	0	0	0	110.2	L284 K286 E304 Q307	L284-A309 HydrophobicContact CB-CB 3.76Å; K286-A309 HydrophobicContact CG-CB 4.09Å; E304-A309 PolarHBondContact O-N 3.15Å; Q307-A309 PolarHBondContact O-N 2.88Å
310	V	95.9	Very high	95.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.9	174.4	-59.2	0	0	0	0	109.6	R285 M288 Y289 M292 E304	R285-V310 WeakPolarHBondContact CA-O 3.3Å; R285-V310 WeakPolarHBondContact CB-O 3.33Å; R285-V310 PolarHBondContact N-O 2.92Å; R285-V310 PolarHBondContact O-N 3.04Å; M288-V310 HydrophobicContact CB-CG2 3.48Å; M288-V310 VanDerWaalsContact CB-CG2 3.48Å; Y289-V310 HydrophobicContact CD2-CG1 4.18Å; M292-V310 HydrophobicContact CE-CG1 3.6Å; M292-V310 HydrophobicContact SD-CG1 4.48Å; E304-V310 HydrophobicContact CB-CG1 4.09Å; E304-V310 HydrophobicContact CG-CG1 3.92Å; E304-V310 VanDerWaalsContact OE1-CG1 3.3Å; E304-V310 WeakPolarHBondContact OE1-CG1 3.36Å
311	T	93.4	Very high	95	Very high	33 Å²	33	51.8 Å²	51.8	20%	0.202	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	156.4	169.7	66.7	0	0	0	0	110.6	P282 L284 R314 Y315	P282-T311 HydrophobicContact CB-CG2 4.16Å; L284-T311 HydrophobicContact CD2-CG2 4.14Å; T311-R314 PolarHBondContact O-N 3.17Å; T311-R314 VanDerWaalsContact OG1-CB 3.23Å; T311-R314 WeakPolarHBondContact OG1-CB 3.34Å; T311-R314 PolarHBondContact OG1-N 3.35Å; T311-Y315 PolarHBondContact O-N 3.34Å
312	K	90.3	Very high	94.9	Very high	23 Å²	23	50.1 Å²	50.1	10%	0.1	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-51.8	177.7	173.6	177.7	-167	-164.6	0	112.4	S143 D144 E274 M288 R314 Y315 M316	S143-K312 PolarHBondContact OG-NZ 2.87Å; D144-K312 WeakPolarHBondContact OD2-CD 3.3Å; D144-K312 VanDerWaalsContact OD2-CE 3.23Å; D144-K312 WeakPolarHBondContact OD2-CE 3.43Å; D144-K312 IonicContact OD2-NZ 2.68Å; E274-K312 WeakPolarHBondContact OE1-CE 3.23Å; E274-K312 IonicContact OE1-NZ 3.1Å; E274-K312 PolarHBondContact OE1-NZ 3.14Å; M288-K312 HydrophobicContact CE-CB 4.11Å; M288-K312 HydrophobicContact CE-CD 4.43Å; M288-K312 HydrophobicContact CE-CG 3.87Å; M288-K312 HydrophobicContact SD-CB 4Å; M288-K312 HydrophobicContact SD-CG 4.36Å; K312-R314 VanDerWaalsContact C-N 3.29Å; K312-R314 PolarHBondContact O-N 2.87Å; K312-Y315 PolarHBondContact O-N 3.45Å; K312-Y315 VanDerWaalsContact O-N 3.13Å; K312-M316 HydrophobicContact CG-CG 4.23Å; K312-M316 VanDerWaalsContact O-CG 3.31Å; K312-M316 WeakPolarHBondContact O-CG 3.01Å; K312-M316 PolarHBondContact O-N 2.81Å
313	P	90.6	Very high	94.8	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.045	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-39.5	179.1	-27.2	37.7	0	0	0	113.2	L275 A278 Y315 M316 Q317	L275-P313 HydrophobicContact CD1-CB 3.76Å; L275-P313 HydrophobicContact CD1-CG 4.43Å; A278-P313 HydrophobicContact CB-CG 3.61Å; P313-Y315 PolarHBondContact O-N 3.31Å; P313-M316 PolarHBondContact O-N 2.91Å; P313-Q317 WeakPolarHBondContact O-CB 3.13Å; P313-Q317 VanDerWaalsContact O-CG 3.28Å; P313-Q317 WeakPolarHBondContact O-CG 3.26Å; P313-Q317 PolarHBondContact O-N 3.21Å
314	R	94	Very high	94.9	Very high	61 Å²	61	37.2 Å²	37.2	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-39.6	176.7	174.2	54.2	-177.5	84	4.1	113	A299 E304 T311 K312 W318	A299-R314 PolarHBondContact O-NH2 2.79Å; E304-R314 WeakPolarHBondContact OE1-CG 3.11Å; E304-R314 IonicContact OE1-CZ 3.39Å; E304-R314 IonicContact OE1-NE 3.86Å; E304-R314 IonicContact OE2-CZ 2.92Å; E304-R314 IonicContact OE2-NE 2.81Å; E304-R314 IonicContact OE2-NH2 2.94Å; E304-R314 PolarHBondContact OE2-NH2 2.62Å; T311-R314 PolarHBondContact O-N 3.17Å; T311-R314 VanDerWaalsContact OG1-CB 3.23Å; T311-R314 WeakPolarHBondContact OG1-CB 3.34Å; T311-R314 PolarHBondContact OG1-N 3.35Å; K312-R314 VanDerWaalsContact C-N 3.29Å; K312-R314 PolarHBondContact O-N 2.87Å; R314-W318 VanDerWaalsContact NH1-CB 3.29Å; R314-W318 PolarHBondContact O-N 2.78Å
315	Y	94.6	Very high	95	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-44	173	176.5	-100.4	0	0	0	111.8	M288 K291 M292 T311 K312 P313 W318 R319	M288-Y315 HydrophobicContact CB-CD1 4.36Å; M288-Y315 HydrophobicContact CB-CD2 3.79Å; M288-Y315 HydrophobicContact CB-CE2 4.36Å; M288-Y315 HydrophobicContact CB-CG 3.78Å; M288-Y315 HydrophobicContact CE-CD1 4.02Å; M288-Y315 HydrophobicContact CG-CD1 3.92Å; M288-Y315 HydrophobicContact CG-CD2 4.23Å; M288-Y315 HydrophobicContact CG-CE1 4.38Å; M288-Y315 HydrophobicContact CG-CG 3.84Å; M288-Y315 HydrophobicContact SD-CD1 3.93Å; M288-Y315 HydrophobicContact SD-CG 3.94Å; K291-Y315 HydrophobicContact CB-CE2 3.96Å; M292-Y315 HydrophobicContact CB-CD2 4.35Å; M292-Y315 HydrophobicContact CB-CE2 4.45Å; T311-Y315 PolarHBondContact O-N 3.34Å; K312-Y315 PolarHBondContact O-N 3.45Å; K312-Y315 VanDerWaalsContact O-N 3.13Å; P313-Y315 PolarHBondContact O-N 3.31Å; Y315-W318 AromaticContact CD2-CE3 3.97Å; Y315-W318 HydrophobicContact CD2-CE3 3.97Å; Y315-W318 HydrophobicContact CD2-CZ3 4.1Å; Y315-W318 AromaticContact CE2-CE3 3.9Å; Y315-W318 HydrophobicContact CE2-CE3 3.9Å; Y315-W318 AromaticContact CE2-CZ3 3.56Å; Y315-W318 HydrophobicContact CE2-CZ3 3.56Å; Y315-W318 PolarHBondContact O-N 2.99Å; Y315-R319 HydrophobicContact CD1-CG 4.09Å; Y315-R319 HydrophobicContact CE1-CG 3.55Å; Y315-R319 HydrophobicContact CE2-CG 4.08Å; Y315-R319 PolarHBondContact O-N 3.5Å; Y315-R319 PolarHBondContact OH-NH1 2.86Å
316	M	92.8	Very high	94.9	Very high	22 Å²	22	37.5 Å²	37.5	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-45	-179.7	-62.1	-54.3	-65.6	0	0	111.6	T269 Y270 K312 P313 W318 R319 E320	T269-M316 WeakPolarHBondContact OG1-CE 3.49Å; Y270-M316 HydrophobicContact CD1-CB 3.62Å; Y270-M316 HydrophobicContact CD1-CG 4.45Å; Y270-M316 HydrophobicContact CE1-CB 4.33Å; Y270-M316 HydrophobicContact CG-CB 4.38Å; K312-M316 HydrophobicContact CG-CG 4.23Å; K312-M316 VanDerWaalsContact O-CG 3.31Å; K312-M316 WeakPolarHBondContact O-CG 3.01Å; K312-M316 PolarHBondContact O-N 2.81Å; P313-M316 PolarHBondContact O-N 2.91Å; M316-W318 VanDerWaalsContact C-N 3.32Å; M316-W318 PolarHBondContact O-N 3.41Å; M316-R319 WeakPolarHBondContact O-CB 3.46Å; M316-R319 PolarHBondContact O-N 2.95Å; M316-E320 WeakPolarHBondContact O-CB 3.29Å; M316-E320 VanDerWaalsContact O-CD 3.3Å; M316-E320 WeakPolarHBondContact O-CG 3.47Å; M316-E320 PolarHBondContact O-N 3.23Å
317	Q	93.3	Very high	94.9	Very high	75 Å²	75	37.7 Å²	37.7	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-58.5	-42	174.9	-73.9	171.3	-16.5	0	0	112.2	Y270 P313 E320 G321	Y270-Q317 HydrophobicContact CE1-CG 3.63Å; Y270-Q317 WeakPolarHBondContact OH-CG 3.28Å; Y270-Q317 PolarHBondContact OH-NE2 3.31Å; P313-Q317 WeakPolarHBondContact O-CB 3.13Å; P313-Q317 VanDerWaalsContact O-CG 3.28Å; P313-Q317 WeakPolarHBondContact O-CG 3.26Å; P313-Q317 PolarHBondContact O-N 3.21Å; Q317-E320 PolarHBondContact O-N 3.48Å; Q317-G321 PolarHBondContact O-N 3.22Å; Q317-G321 VanDerWaalsContact O-N 3.09Å
318	W	95.9	Very high	95.1	Very high	25 Å²	25	33.8 Å²	33.8	10%	0.095	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-45.9	174.7	166.5	84.6	0	0	0	112.1	M292 V295 D296 A299 R314 Y315 M316 E320 G321 I322	M292-W318 HydrophobicContact CB-CE3 4.33Å; M292-W318 HydrophobicContact CB-CH2 4.25Å; M292-W318 HydrophobicContact CB-CZ2 4.5Å; M292-W318 HydrophobicContact CB-CZ3 4.15Å; M292-W318 HydrophobicContact CG-CD2 3.59Å; M292-W318 HydrophobicContact CG-CE3 3.73Å; M292-W318 HydrophobicContact CG-CG 4.19Å; M292-W318 HydrophobicContact CG-CH2 3.96Å; M292-W318 HydrophobicContact CG-CZ2 3.79Å; M292-W318 HydrophobicContact CG-CZ3 3.93Å; M292-W318 HydrophobicContact SD-CB 4.19Å; M292-W318 HydrophobicContact SD-CD2 3.8Å; M292-W318 HydrophobicContact SD-CE3 4.03Å; M292-W318 HydrophobicContact SD-CG 3.85Å; V295-W318 HydrophobicContact CB-CH2 3.64Å; V295-W318 HydrophobicContact CB-CZ2 3.82Å; V295-W318 HydrophobicContact CG1-CH2 3.91Å; V295-W318 HydrophobicContact CG1-CZ2 3.82Å; V295-W318 HydrophobicContact CG2-CH2 3.97Å; D296-W318 HydrophobicContact CB-CZ2 4.36Å; A299-W318 VanDerWaalsContact CB-NE1 3.27Å; R314-W318 VanDerWaalsContact NH1-CB 3.29Å; R314-W318 PolarHBondContact O-N 2.78Å; Y315-W318 AromaticContact CD2-CE3 3.97Å; Y315-W318 HydrophobicContact CD2-CE3 3.97Å; Y315-W318 HydrophobicContact CD2-CZ3 4.1Å; Y315-W318 AromaticContact CE2-CE3 3.9Å; Y315-W318 HydrophobicContact CE2-CE3 3.9Å; Y315-W318 AromaticContact CE2-CZ3 3.56Å; Y315-W318 HydrophobicContact CE2-CZ3 3.56Å; Y315-W318 PolarHBondContact O-N 2.99Å; M316-W318 VanDerWaalsContact C-N 3.32Å; M316-W318 PolarHBondContact O-N 3.41Å; W318-E320 PolarHBondContact O-N 3.05Å; W318-G321 PolarHBondContact O-N 3.33Å; W318-G321 VanDerWaalsContact O-N 3.12Å; W318-I322 HydrophobicContact CD2-CD1 4.38Å; W318-I322 HydrophobicContact CE3-CD1 4.43Å; W318-I322 HydrophobicContact CH2-CD1 3.53Å; W318-I322 HydrophobicContact CZ2-CD1 3.5Å; W318-I322 VanDerWaalsContact CZ2-CD1 3.5Å; W318-I322 HydrophobicContact CZ2-CG1 4.37Å; W318-I322 HydrophobicContact CZ2-CG2 4.43Å; W318-I322 HydrophobicContact CZ3-CD1 4.03Å; W318-I322 WeakPolarHBondContact O-CG1 3.46Å; W318-I322 PolarHBondContact O-N 3.34Å
319	R	94.2	Very high	95.1	Very high	18 Å²	18	25.3 Å²	25.3	7%	0.068	14%	0.138	C	C	.	.	H	α-helix	trans	-56.5	-40	174.6	-80.7	-69.4	-68	-110.2	-0.6	111.8	E146 Y315 M316 S323 E333	E146-R319 IonicContact OE1-NH1 3.43Å; E146-R319 PolarHBondContact OE1-NH1 3.1Å; E146-R319 VanDerWaalsContact OE1-NH1 3.17Å; E146-R319 IonicContact OE1-NH2 2.84Å; E146-R319 IonicContact OE2-NH1 2.98Å; Y315-R319 HydrophobicContact CD1-CG 4.09Å; Y315-R319 HydrophobicContact CE1-CG 3.55Å; Y315-R319 HydrophobicContact CE2-CG 4.08Å; Y315-R319 PolarHBondContact O-N 3.5Å; Y315-R319 PolarHBondContact OH-NH1 2.86Å; M316-R319 WeakPolarHBondContact O-CB 3.46Å; M316-R319 PolarHBondContact O-N 2.95Å; R319-S323 VanDerWaalsContact O-CB 3.29Å; R319-S323 WeakPolarHBondContact O-CB 3.23Å; R319-S323 PolarHBondContact O-N 3.46Å; R319-S323 PolarHBondContact O-OG 3.16Å; R319-E333 IonicContact NH2-OE1 3.42Å
320	E	93.4	Very high	95.3	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-42.8	177.3	-72.5	156.2	-169.4	0	0	111.5	T269 Y270 M316 Q317 W318 S323 T326	T269-E320 WeakPolarHBondContact CA-OE1 3.22Å; T269-E320 WeakPolarHBondContact CB-OE1 3.5Å; T269-E320 PolarHBondContact N-OE1 2.85Å; T269-E320 PolarHBondContact OG1-OE1 3.2Å; Y270-E320 WeakPolarHBondContact CD1-OE1 3.3Å; Y270-E320 WeakPolarHBondContact CE1-OE1 3.33Å; Y270-E320 WeakPolarHBondContact CE1-OE2 3.27Å; M316-E320 WeakPolarHBondContact O-CB 3.29Å; M316-E320 VanDerWaalsContact O-CD 3.3Å; M316-E320 WeakPolarHBondContact O-CG 3.47Å; M316-E320 PolarHBondContact O-N 3.23Å; Q317-E320 PolarHBondContact O-N 3.48Å; W318-E320 PolarHBondContact O-N 3.05Å; E320-S323 VanDerWaalsContact O-O 3.1Å; E320-S323 PolarHBondContact O-OG 3.47Å; E320-T326 WeakPolarHBondContact CB-OG1 3.39Å; E320-T326 PolarHBondContact O-N 3.02Å; E320-T326 PolarHBondContact O-OG1 3.48Å
321	G	94.1	Very high	95.4	Very high	32 Å²	32	25.6 Å²	25.6	33%	0.33	14%	0.139	S	C	.	.	H	α-helix	trans	-76.8	-26.3	-178.9	0	0	0	0	0	115.8	Q317 W318 T326 R350	Q317-G321 PolarHBondContact O-N 3.22Å; Q317-G321 VanDerWaalsContact O-N 3.09Å; W318-G321 PolarHBondContact O-N 3.33Å; W318-G321 VanDerWaalsContact O-N 3.12Å; G321-T326 PolarHBondContact N-OG1 3.43Å; G321-R350 WeakPolarHBondContact O-CD 3.37Å; G321-R350 PolarHBondContact O-NH1 2.91Å
322	I	95.2	Very high	95.6	Very high	27 Å²	27	24.1 Å²	24.1	14%	0.138	13%	0.13	C	C	.	.	H	α-helix	trans	-86.4	-15.9	174	64.9	154.9	0	0	0	113.2	V295 W318 K347 T348	V295-I322 HydrophobicContact CG1-CD1 3.83Å; W318-I322 HydrophobicContact CD2-CD1 4.38Å; W318-I322 HydrophobicContact CE3-CD1 4.43Å; W318-I322 HydrophobicContact CH2-CD1 3.53Å; W318-I322 HydrophobicContact CZ2-CD1 3.5Å; W318-I322 VanDerWaalsContact CZ2-CD1 3.5Å; W318-I322 HydrophobicContact CZ2-CG1 4.37Å; W318-I322 HydrophobicContact CZ2-CG2 4.43Å; W318-I322 HydrophobicContact CZ3-CD1 4.03Å; W318-I322 WeakPolarHBondContact O-CG1 3.46Å; W318-I322 PolarHBondContact O-N 3.34Å; I322-K347 WeakPolarHBondContact CD1-O 3.35Å; I322-T348 HydrophobicContact CD1-CG2 4.2Å; I322-T348 WeakPolarHBondContact O-CA 3.33Å
323	S	96.8	Very high	95.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-102.5	-175.7	173.3	68.4	0	0	0	0	111	R319 E320 S325 R350	R319-S323 VanDerWaalsContact O-CB 3.29Å; R319-S323 WeakPolarHBondContact O-CB 3.23Å; R319-S323 PolarHBondContact O-N 3.46Å; R319-S323 PolarHBondContact O-OG 3.16Å; E320-S323 VanDerWaalsContact O-O 3.1Å; E320-S323 PolarHBondContact O-OG 3.47Å; S323-S325 PolarHBondContact O-N 3.42Å; S323-S325 PolarHBondContact OG-N 2.84Å; S323-S325 PolarHBondContact OG-OG 3.36Å; S323-R350 VanDerWaalsContact O-CG 3.27Å; S323-R350 WeakPolarHBondContact O-CG 3.34Å
324	S	98.3	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-77.8	0.4	176	53.9	0	0	0	0	114.5	T327 L328 F330 R331 T349 R350	S324-T327 PolarHBondContact O-N 2.96Å; S324-L328 WeakPolarHBondContact O-CA 3.26Å; S324-L328 WeakPolarHBondContact O-CB 3.41Å; S324-L328 PolarHBondContact O-N 3.01Å; S324-F330 CarbonylContact C-O 3.58Å; S324-F330 WeakPolarHBondContact CB-O 3.29Å; S324-F330 VanDerWaalsContact O-O 3.12Å; S324-F330 PolarHBondContact OG-O 3.34Å; S324-R331 WeakPolarHBondContact OG-CA 3.41Å; S324-T349 PolarHBondContact N-O 3.41Å; S324-T349 VanDerWaalsContact N-O 3.09Å; S324-R350 WeakPolarHBondContact CB-O 3.33Å
325	S	97.9	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-54.4	-172	-45.5	0	0	0	0	111.5	V267 S323 T327 G329 F330 R331	V267-S325 WeakPolarHBondContact CA-O 3.49Å; S323-S325 PolarHBondContact O-N 3.42Å; S323-S325 PolarHBondContact OG-N 2.84Å; S323-S325 PolarHBondContact OG-OG 3.36Å; S325-T327 VanDerWaalsContact C-N 3.33Å; S325-T327 PolarHBondContact O-N 3.3Å; S325-G329 WeakPolarHBondContact O-CA 3.35Å; S325-G329 PolarHBondContact O-N 3.27Å; S325-F330 WeakPolarHBondContact CA-O 3.48Å; S325-F330 PolarHBondContact N-O 3.34Å; S325-R331 WeakPolarHBondContact OG-CB 3.39Å; S325-R331 VanDerWaalsContact OG-CD 3.24Å; S325-R331 WeakPolarHBondContact OG-CD 3.48Å; S325-R331 WeakPolarHBondContact OG-CG 3.25Å; S325-R331 PolarHBondContact OG-NH1 3.08Å
326	T	96.8	Very high	96	Very high	78 Å²	78	23.5 Å²	23.5	48%	0.479	13%	0.129	S	C	.	.	H	α-helix	trans	-64	-37.3	-177.2	-55.5	0	0	0	0	112.7	E320 G321	E320-T326 WeakPolarHBondContact CB-OG1 3.39Å; E320-T326 PolarHBondContact O-N 3.02Å; E320-T326 PolarHBondContact O-OG1 3.48Å; G321-T326 PolarHBondContact N-OG1 3.43Å
327	T	97.5	Very high	96	Very high	88 Å²	88	24.2 Å²	24.2	54%	0.54	13%	0.131	S	C	.	.	H	α-helix	trans	-92	-32.9	-171.8	51	0	0	0	0	113.8	S324 S325	S324-T327 PolarHBondContact O-N 2.96Å; S325-T327 VanDerWaalsContact C-N 3.33Å; S325-T327 PolarHBondContact O-N 3.3Å
328	L	98.6	Very high	95.8	Very high	20 Å²	20	23.5 Å²	23.5	11%	0.105	14%	0.139	C	C	.	.	H	α-helix	trans	-115.4	-9.2	-175.3	-54.7	-176.5	0	0	0	113.2	S324 F330 R352 V355 G447 N450 I454	S324-L328 WeakPolarHBondContact O-CA 3.26Å; S324-L328 WeakPolarHBondContact O-CB 3.41Å; S324-L328 PolarHBondContact O-N 3.01Å; L328-F330 HydrophobicContact CB-CD1 4.2Å; L328-F330 HydrophobicContact CB-CE1 3.98Å; L328-F330 WeakPolarHBondContact O-CD1 3.5Å; L328-R352 HydrophobicContact CD1-CB 4.42Å; L328-V355 HydrophobicContact CD1-CG2 4.24Å; L328-G447 WeakPolarHBondContact O-CA 3.44Å; L328-N450 HydrophobicContact CB-CB 4.43Å; L328-N450 WeakPolarHBondContact O-CB 3.47Å; L328-N450 PolarHBondContact O-ND2 3.05Å; L328-I454 HydrophobicContact CD1-CD1 4.12Å
329	G	98.5	Very high	95.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	78.2	15.7	179.4	0	0	0	0	0	114.8	G266 S325 G447	G266-G329 CarbonylContact C-O 3.52Å; G266-G329 VanDerWaalsContact C-O 3.32Å; G266-G329 WeakPolarHBondContact CA-O 3.47Å; G266-G329 PolarHBondContact N-O 3.35Å; G266-G329 CarbonylContact O-C 3.49Å; S325-G329 WeakPolarHBondContact O-CA 3.35Å; S325-G329 PolarHBondContact O-N 3.27Å; G329-G447 VanDerWaalsContact C-CA 3.48Å; G329-G447 WeakPolarHBondContact O-CA 3.41Å
330	F	98.8	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	167.4	172.5	69.6	-90.2	0	0	0	111.1	C263 K264 M265 S324 S325 L328 V355 G447 N450 L451 I454	C263-F330 WeakPolarHBondContact SG-CD2 3.39Å; K264-F330 CarbonylContact O-C 3.53Å; K264-F330 WeakPolarHBondContact O-CA 3.48Å; K264-F330 WeakPolarHBondContact O-CB 3.24Å; M265-F330 HydrophobicContact CE-CB 4.16Å; M265-F330 HydrophobicContact SD-CB 3.82Å; S324-F330 CarbonylContact C-O 3.58Å; S324-F330 WeakPolarHBondContact CB-O 3.29Å; S324-F330 VanDerWaalsContact O-O 3.12Å; S324-F330 PolarHBondContact OG-O 3.34Å; S325-F330 WeakPolarHBondContact CA-O 3.48Å; S325-F330 PolarHBondContact N-O 3.34Å; L328-F330 HydrophobicContact CB-CD1 4.2Å; L328-F330 HydrophobicContact CB-CE1 3.98Å; L328-F330 WeakPolarHBondContact O-CD1 3.5Å; F330-V355 HydrophobicContact CE2-CG1 3.65Å; F330-V355 HydrophobicContact CZ-CG1 3.74Å; F330-G447 WeakPolarHBondContact CD1-O 3.3Å; F330-N450 HydrophobicContact CE1-CB 4.11Å; F330-L451 HydrophobicContact CD1-CB 4.11Å; F330-L451 HydrophobicContact CD2-CD1 4.5Å; F330-L451 HydrophobicContact CE1-CB 3.75Å; F330-L451 HydrophobicContact CE1-CD1 4.22Å; F330-L451 HydrophobicContact CE2-CD1 3.84Å; F330-L451 HydrophobicContact CZ-CB 4.08Å; F330-L451 HydrophobicContact CZ-CD1 3.66Å; F330-L451 HydrophobicContact CZ-CG 4.44Å; F330-I454 HydrophobicContact CE1-CD1 4.11Å; F330-I454 HydrophobicContact CZ-CD1 3.71Å
331	R	98.4	Very high	94.8	Very high	9 Å²	9	31.7 Å²	31.7	3%	0.034	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.3	167.7	62.2	171.8	179.2	-89.5	8.7	112.5	C263 K264 T269 S324 S325 E333	C263-R331 CarbonylContact C-O 3.32Å; C263-R331 WeakPolarHBondContact CA-O 3.42Å; K264-R331 HydrophobicContact CB-CG 4.14Å; K264-R331 VanDerWaalsContact CD-NH2 3.29Å; K264-R331 PolarHBondContact N-O 3.4Å; K264-R331 PolarHBondContact O-N 3.39Å; T269-R331 PolarHBondContact OG1-NH1 3.13Å; T269-R331 PolarHBondContact OG1-NH2 2.88Å; S324-R331 WeakPolarHBondContact OG-CA 3.41Å; S325-R331 WeakPolarHBondContact OG-CB 3.39Å; S325-R331 VanDerWaalsContact OG-CD 3.24Å; S325-R331 WeakPolarHBondContact OG-CD 3.48Å; S325-R331 WeakPolarHBondContact OG-CG 3.25Å; S325-R331 PolarHBondContact OG-NH1 3.08Å; R331-E333 WeakPolarHBondContact CD-OE1 3.38Å; R331-E333 IonicContact CZ-OE1 2.69Å; R331-E333 IonicContact NE-OE1 3Å; R331-E333 PolarHBondContact NE-OE1 3.04Å; R331-E333 IonicContact NH2-OE1 2.9Å
332	I	98	Very high	94.7	Very high	3 Å²	3	34 Å²	34	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.6	173.3	-57.4	175.6	0	0	0	108.1	L261 I335 F346 V355 V358 F359	L261-I332 HydrophobicContact CD1-CD1 4.45Å; L261-I332 HydrophobicContact CD1-CG2 4.37Å; L261-I332 HydrophobicContact CD2-CG2 4.39Å; L261-I332 HydrophobicContact CG-CG2 4.18Å; I332-I335 HydrophobicContact CG2-CG1 4.31Å; I332-F346 HydrophobicContact CB-CB 4.37Å; I332-F346 HydrophobicContact CB-CG 4.31Å; I332-F346 HydrophobicContact CG2-CB 4.46Å; I332-F346 HydrophobicContact CG2-CD1 4.35Å; I332-F346 HydrophobicContact CG2-CD2 3.8Å; I332-F346 HydrophobicContact CG2-CE2 4.1Å; I332-F346 HydrophobicContact CG2-CG 3.94Å; I332-F346 WeakPolarHBondContact O-CB 3.43Å; I332-V355 HydrophobicContact CD1-CG1 4.24Å; I332-V358 HydrophobicContact CD1-CB 3.69Å; I332-V358 HydrophobicContact CD1-CG1 3.4Å; I332-V358 VanDerWaalsContact CD1-CG1 3.4Å; I332-V358 HydrophobicContact CD1-CG2 4.37Å; I332-V358 HydrophobicContact CG2-CG1 4.42Å; I332-F359 HydrophobicContact CD1-CD2 4.28Å; I332-F359 HydrophobicContact CD1-CE2 3.97Å; I332-F359 HydrophobicContact CG1-CE2 4.44Å
333	E	94.9	Very high	94.4	Very high	38 Å²	38	35.1 Å²	35.1	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-37.8	179	-72.2	-80.1	102.3	0	0	111.5	D262 K264 R319 R331	D262-E333 HydrophobicContact CB-CB 4.38Å; D262-E333 PolarHBondContact O-N 3.38Å; K264-E333 HydrophobicContact CB-CG 3.69Å; K264-E333 HydrophobicContact CD-CG 4.4Å; K264-E333 VanDerWaalsContact CE-OE2 3.29Å; K264-E333 WeakPolarHBondContact CE-OE2 3.48Å; R319-E333 IonicContact NH2-OE1 3.42Å; R331-E333 WeakPolarHBondContact CD-OE1 3.38Å; R331-E333 IonicContact CZ-OE1 2.69Å; R331-E333 IonicContact NE-OE1 3Å; R331-E333 PolarHBondContact NE-OE1 3.04Å; R331-E333 IonicContact NH2-OE1 2.9Å
334	G	94.8	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	156.8	-177.4	0	0	0	0	0	114	L261 D262 S343	L261-G334 WeakPolarHBondContact CA-O 3.35Å; D262-G334 PolarHBondContact N-O 2.96Å; G334-S343 CarbonylContact C-O 3.36Å; G334-S343 VanDerWaalsContact CA-O 3.25Å; G334-S343 WeakPolarHBondContact CA-O 3.39Å
335	I	95.3	Very high	93.7	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.5	175.3	-65.4	-179.7	0	0	0	108.4	V260 L261 I332 K337 C342 S343 F346 V358 F362	V260-I335 CarbonylContact O-C 3.48Å; V260-I335 VanDerWaalsContact O-CA 3.29Å; V260-I335 WeakPolarHBondContact O-CA 3.15Å; L261-I335 HydrophobicContact CB-CG1 4.05Å; L261-I335 HydrophobicContact CD1-CD1 3.67Å; L261-I335 HydrophobicContact CD1-CG1 3.82Å; L261-I335 HydrophobicContact CG-CD1 4.23Å; L261-I335 HydrophobicContact CG-CG1 3.79Å; I332-I335 HydrophobicContact CG2-CG1 4.31Å; I335-K337 HydrophobicContact CG2-CG 4.08Å; I335-C342 CarbonylContact O-C 3.55Å; I335-C342 VanDerWaalsContact O-CA 3.3Å; I335-C342 WeakPolarHBondContact O-CA 3.45Å; I335-S343 PolarHBondContact N-O 2.84Å; I335-S343 PolarHBondContact O-N 3.43Å; I335-F346 HydrophobicContact CB-CE2 4.24Å; I335-F346 HydrophobicContact CB-CZ 4.25Å; I335-F346 HydrophobicContact CD1-CE1 4.35Å; I335-F346 HydrophobicContact CD1-CE2 4.23Å; I335-F346 HydrophobicContact CD1-CZ 3.67Å; I335-F346 HydrophobicContact CG1-CE2 3.94Å; I335-F346 HydrophobicContact CG1-CZ 3.89Å; I335-V358 HydrophobicContact CD1-CG1 3.39Å; I335-F362 HydrophobicContact CD1-CB 4.29Å; I335-F362 HydrophobicContact CD1-CD2 4.3Å; I335-F362 HydrophobicContact CG1-CD2 4.5Å; I335-F362 HydrophobicContact CG2-CD2 3.7Å; I335-F362 HydrophobicContact CG2-CE2 4.06Å
336	K	93.8	Very high	93.5	Very high	40 Å²	40	44.6 Å²	44.6	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.9	158.3	175.3	173.7	-176.5	175.8	0	109.6	V189 L191 C259 V260 S341	V189-K336 HydrophobicContact CB-CD 3.99Å; V189-K336 HydrophobicContact CG1-CB 4.24Å; V189-K336 HydrophobicContact CG1-CD 3.2Å; V189-K336 HydrophobicContact CG1-CG 4.34Å; V189-K336 HydrophobicContact CG2-CD 3.65Å; L191-K336 HydrophobicContact CD2-CB 3.37Å; C259-K336 CarbonylContact C-O 3.57Å; C259-K336 VanDerWaalsContact CA-O 3.28Å; C259-K336 WeakPolarHBondContact CA-O 3.46Å; V260-K336 PolarHBondContact N-O 3.44Å; V260-K336 PolarHBondContact O-N 2.93Å; K336-S341 WeakPolarHBondContact CA-O 3.44Å
337	K	91.8	Very high	93.2	Very high	36 Å²	36	42.9 Å²	42.9	16%	0.157	26%	0.258	C	S	.	.			trans	-98.6	162.6	173.1	-59.6	-176.3	-175.7	-178.9	0	110.9	I335 D339 G340 S341 E361	I335-K337 HydrophobicContact CG2-CG 4.08Å; K337-D339 WeakPolarHBondContact CB-OD1 3.28Å; K337-D339 PolarHBondContact O-N 2.93Å; K337-G340 PolarHBondContact O-N 3.14Å; K337-S341 PolarHBondContact N-O 2.71Å; K337-E361 IonicContact NZ-OE1 2.89Å; K337-E361 PolarHBondContact NZ-OE1 3.14Å
338	A	89.8	Confident	93.1	Very high	61 Å²	61	42.4 Å²	42.4	50%	0.504	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	178.3	0	0	0	0	0	113.2	G257 C259 G340	G257-A338 WeakPolarHBondContact O-CB 3.48Å; C259-A338 PolarHBondContact SG-N 3.22Å; A338-G340 PolarHBondContact O-N 2.85Å
339	D	88.3	Confident	93	Very high	125 Å²	125	42.1 Å²	42.1	67%	0.668	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.7	175.6	69.8	0.7	0	0	0	113.8	K337 S341	K337-D339 WeakPolarHBondContact CB-OD1 3.28Å; K337-D339 PolarHBondContact O-N 2.93Å; D339-S341 VanDerWaalsContact C-N 3.31Å; D339-S341 WeakPolarHBondContact OD1-CB 3.3Å; D339-S341 PolarHBondContact OD1-N 2.68Å; D339-S341 PolarHBondContact OD1-OG 2.96Å
340	G	85.6	Confident	92.9	Very high	42 Å²	42	48.4 Å²	48.4	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	88.1	-8.1	-179.6	0	0	0	0	0	114	K337 A338 C342	K337-G340 PolarHBondContact O-N 3.14Å; A338-G340 PolarHBondContact O-N 2.85Å; G340-C342 PolarHBondContact O-N 2.69Å
341	S	88.6	Confident	92.9	Very high	55 Å²	55	50.5 Å²	50.5	39%	0.385	29%	0.293	S	S	.	.			trans	-63.2	136.7	174.4	67	0	0	0	0	110.4	K336 K337 D339	K336-S341 WeakPolarHBondContact CA-O 3.44Å; K337-S341 PolarHBondContact N-O 2.71Å; D339-S341 VanDerWaalsContact C-N 3.31Å; D339-S341 WeakPolarHBondContact OD1-CB 3.3Å; D339-S341 PolarHBondContact OD1-N 2.68Å; D339-S341 PolarHBondContact OD1-OG 2.96Å
342	C	90.4	Very high	92.9	Very high	82 Å²	82	53.9 Å²	53.9	55%	0.554	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.2	177.8	-61.5	0	0	0	0	108.4	I335 G340	I335-C342 CarbonylContact O-C 3.55Å; I335-C342 VanDerWaalsContact O-CA 3.3Å; I335-C342 WeakPolarHBondContact O-CA 3.45Å; G340-C342 PolarHBondContact O-N 2.69Å
343	S	90.6	Very high	92.9	Very high	49 Å²	49	58 Å²	58	34%	0.343	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139	173.1	-176.3	0	0	0	0	109.6	G334 I335 D345 F346	G334-S343 CarbonylContact C-O 3.36Å; G334-S343 VanDerWaalsContact CA-O 3.25Å; G334-S343 WeakPolarHBondContact CA-O 3.39Å; I335-S343 PolarHBondContact N-O 2.84Å; I335-S343 PolarHBondContact O-N 3.43Å; S343-D345 PolarHBondContact OG-N 2.92Å; S343-F346 WeakPolarHBondContact O-CE2 3.11Å
344	T	88.9	Confident	93.1	Very high	52 Å²	52	59.8 Å²	59.8	32%	0.319	33%	0.333	S	S	.	.			trans	-122.7	9.1	166.7	59.8	0	0	0	0	110.7	F346 K347	T344-F346 PolarHBondContact O-N 3.37Å; T344-K347 WeakPolarHBondContact O-CD 3.42Å; T344-K347 WeakPolarHBondContact O-CE 3.15Å; T344-K347 PolarHBondContact O-NZ 2.94Å; T344-K347 PolarHBondContact OG1-NZ 2.95Å
345	D	90.6	Very high	93.3	Very high	124 Å²	124	59.8 Å²	59.8	66%	0.663	33%	0.333	S	S	*	.			trans	-81.7	62.9	-172.2	-167.1	26.7	0	0	0	112.2	S343	S343-D345 PolarHBondContact OG-N 2.92Å
346	F	93.3	Very high	93.4	Very high	24 Å²	24	59.4 Å²	59.4	11%	0.105	33%	0.331	C	S	.	.			trans	-121	16.5	-178.1	-57.2	-67.9	0	0	0	112.2	I332 I335 S343 T344 T348 T349 V358	I332-F346 HydrophobicContact CB-CB 4.37Å; I332-F346 HydrophobicContact CB-CG 4.31Å; I332-F346 HydrophobicContact CG2-CB 4.46Å; I332-F346 HydrophobicContact CG2-CD1 4.35Å; I332-F346 HydrophobicContact CG2-CD2 3.8Å; I332-F346 HydrophobicContact CG2-CE2 4.1Å; I332-F346 HydrophobicContact CG2-CG 3.94Å; I332-F346 WeakPolarHBondContact O-CB 3.43Å; I335-F346 HydrophobicContact CB-CE2 4.24Å; I335-F346 HydrophobicContact CB-CZ 4.25Å; I335-F346 HydrophobicContact CD1-CE1 4.35Å; I335-F346 HydrophobicContact CD1-CE2 4.23Å; I335-F346 HydrophobicContact CD1-CZ 3.67Å; I335-F346 HydrophobicContact CG1-CE2 3.94Å; I335-F346 HydrophobicContact CG1-CZ 3.89Å; S343-F346 WeakPolarHBondContact O-CE2 3.11Å; T344-F346 PolarHBondContact O-N 3.37Å; F346-T348 PolarHBondContact O-N 3.22Å; F346-T348 VanDerWaalsContact O-N 3.16Å; F346-T349 WeakPolarHBondContact CA-OG1 3.35Å; F346-T349 WeakPolarHBondContact O-CB 3.31Å; F346-T349 PolarHBondContact O-N 3.14Å; F346-T349 VanDerWaalsContact O-N 3.12Å; F346-V358 HydrophobicContact CD1-CG1 4.33Å; F346-V358 HydrophobicContact CD1-CG2 4.13Å; F346-V358 HydrophobicContact CE1-CG1 3.72Å; F346-V358 HydrophobicContact CE1-CG2 3.91Å; F346-V358 HydrophobicContact CZ-CG1 4.23Å
347	K	91.2	Very high	93.6	Very high	42 Å²	42	64.5 Å²	64.5	18%	0.183	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.1	-172.8	-76.8	70.4	176.3	-179.5	0	112.1	I322 T344	I322-K347 WeakPolarHBondContact CD1-O 3.35Å; T344-K347 WeakPolarHBondContact O-CD 3.42Å; T344-K347 WeakPolarHBondContact O-CE 3.15Å; T344-K347 PolarHBondContact O-NZ 2.94Å; T344-K347 PolarHBondContact OG1-NZ 2.95Å
348	T	94.7	Very high	93.9	Very high	78 Å²	78	63.6 Å²	63.6	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	12.2	-178.8	56.6	0	0	0	0	113	V295 I322 F346 R350	V295-T348 HydrophobicContact CG1-CG2 3.81Å; I322-T348 HydrophobicContact CD1-CG2 4.2Å; I322-T348 WeakPolarHBondContact O-CA 3.33Å; F346-T348 PolarHBondContact O-N 3.22Å; F346-T348 VanDerWaalsContact O-N 3.16Å; T348-R350 PolarHBondContact O-N 3.27Å; T348-R350 VanDerWaalsContact O-N 3.1Å
349	T	97.4	Very high	94.4	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.092	32%	0.322	C	S	.	.			trans	-72.1	103.1	171.8	-57.4	0	0	0	0	108.1	S324 F346 Q354 V355 V358	S324-T349 PolarHBondContact N-O 3.41Å; S324-T349 VanDerWaalsContact N-O 3.09Å; F346-T349 WeakPolarHBondContact CA-OG1 3.35Å; F346-T349 WeakPolarHBondContact O-CB 3.31Å; F346-T349 PolarHBondContact O-N 3.14Å; F346-T349 VanDerWaalsContact O-N 3.12Å; T349-Q354 HydrophobicContact CG2-CB 4.08Å; T349-V355 HydrophobicContact CG2-CG2 3.96Å; T349-V358 HydrophobicContact CG2-CG2 4.12Å
350	R	96.9	Very high	94.8	Very high	131 Å²	131	58.6 Å²	58.6	49%	0.494	31%	0.309	S	S	.	.			trans	-125.5	-48.9	-168.1	179.8	168.6	78.5	175.5	3.4	114.6	G321 S323 S324 T348	G321-R350 WeakPolarHBondContact O-CD 3.37Å; G321-R350 PolarHBondContact O-NH1 2.91Å; S323-R350 VanDerWaalsContact O-CG 3.27Å; S323-R350 WeakPolarHBondContact O-CG 3.34Å; S324-R350 WeakPolarHBondContact CB-O 3.33Å; T348-R350 PolarHBondContact O-N 3.27Å; T348-R350 VanDerWaalsContact O-N 3.1Å
351	S	98.4	Very high	95.4	Very high	45 Å²	45	62.3 Å²	62.3	32%	0.315	32%	0.315	S	S	.	.	S	Bend	trans	-73	154.2	-174.9	84.7	0	0	0	0	111.3	E353 Q354 V355	S351-E353 PolarHBondContact O-N 3.44Å; S351-Q354 WeakPolarHBondContact O-CB 3.38Å; S351-Q354 PolarHBondContact O-N 2.82Å; S351-Q354 WeakPolarHBondContact OG-CG 3.19Å; S351-Q354 PolarHBondContact OG-N 2.82Å; S351-Q354 VanDerWaalsContact OG-N 3.17Å; S351-V355 PolarHBondContact O-N 3.37Å
352	R	98.5	Very high	95.8	Very high	80 Å²	80	59.7 Å²	59.7	30%	0.302	30%	0.296	S	S	.	.	H	α-helix	trans	-53.1	-42.5	175.7	-169	179.8	-172.3	-88.1	-1.1	111.8	L328 V355 L356 G453 I454 S457	L328-R352 HydrophobicContact CD1-CB 4.42Å; R352-V355 PolarHBondContact O-N 2.85Å; R352-L356 WeakPolarHBondContact O-CB 3.49Å; R352-L356 PolarHBondContact O-N 2.97Å; R352-G453 VanDerWaalsContact NH2-C 3.26Å; R352-G453 PolarHBondContact NH2-O 3.42Å; R352-I454 HydrophobicContact CG-CD1 3.91Å; R352-I454 HydrophobicContact CG-CG1 3.66Å; R352-S457 PolarHBondContact NH1-OG 2.85Å; R352-S457 PolarHBondContact NH2-OG 3.24Å
353	E	98	Very high	96.2	Very high	90 Å²	90	56 Å²	56	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-70.9	-29.1	179	-70.8	63.6	-138.8	0	0	113.4	S351 R357	S351-E353 PolarHBondContact O-N 3.44Å; E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 PolarHBondContact O-NE 2.93Å; E353-R357 VanDerWaalsContact O-NE 3.12Å
354	Q	98.4	Very high	96.5	Very high	75 Å²	75	60.2 Å²	60.2	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-69.8	-48.1	172.5	-73.6	173.6	-48.8	0	0	109.8	T349 S351 L356 R357 V358	T349-Q354 HydrophobicContact CG2-CB 4.08Å; S351-Q354 WeakPolarHBondContact O-CB 3.38Å; S351-Q354 PolarHBondContact O-N 2.82Å; S351-Q354 WeakPolarHBondContact OG-CG 3.19Å; S351-Q354 PolarHBondContact OG-N 2.82Å; S351-Q354 VanDerWaalsContact OG-N 3.17Å; Q354-L356 PolarHBondContact O-N 2.9Å; Q354-R357 PolarHBondContact O-N 2.81Å; Q354-V358 WeakPolarHBondContact O-CG2 3.19Å; Q354-V358 PolarHBondContact O-N 3.39Å; Q354-V358 VanDerWaalsContact O-N 3.07Å
355	V	98.5	Very high	96.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-46.2	177.3	174.1	0	0	0	0	111.2	L328 F330 I332 T349 S351 R352 R357 V358 F359 I454	L328-V355 HydrophobicContact CD1-CG2 4.24Å; F330-V355 HydrophobicContact CE2-CG1 3.65Å; F330-V355 HydrophobicContact CZ-CG1 3.74Å; I332-V355 HydrophobicContact CD1-CG1 4.24Å; T349-V355 HydrophobicContact CG2-CG2 3.96Å; S351-V355 PolarHBondContact O-N 3.37Å; R352-V355 PolarHBondContact O-N 2.85Å; V355-R357 VanDerWaalsContact C-N 3.3Å; V355-R357 PolarHBondContact O-N 2.82Å; V355-V358 WeakPolarHBondContact O-CB 3.5Å; V355-V358 PolarHBondContact O-N 2.94Å; V355-V358 VanDerWaalsContact O-N 3.11Å; V355-F359 HydrophobicContact CG1-CD2 3.93Å; V355-F359 HydrophobicContact CG1-CE2 3.94Å; V355-F359 WeakPolarHBondContact O-CD2 3.33Å; V355-F359 PolarHBondContact O-N 3.2Å; V355-I454 HydrophobicContact CB-CD1 4.49Å; V355-I454 HydrophobicContact CG1-CD1 4.07Å; V355-I454 HydrophobicContact CG1-CG2 4.42Å
356	L	98.3	Very high	97.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-44.4	176.9	-174.2	153.7	0	0	0	111.5	R352 Q354 V358 F359 E360 I454 L458 R461	R352-L356 WeakPolarHBondContact O-CB 3.49Å; R352-L356 PolarHBondContact O-N 2.97Å; Q354-L356 PolarHBondContact O-N 2.9Å; L356-V358 VanDerWaalsContact C-N 3.32Å; L356-V358 PolarHBondContact O-N 3.09Å; L356-F359 PolarHBondContact O-N 3.13Å; L356-E360 WeakPolarHBondContact O-CB 3.44Å; L356-E360 PolarHBondContact O-N 3.45Å; L356-I454 HydrophobicContact CB-CG2 3.93Å; L356-I454 HydrophobicContact CG-CG2 4.32Å; L356-L458 HydrophobicContact CD2-CD1 3.92Å; L356-L458 HydrophobicContact CG-CB 4.33Å; L356-L458 HydrophobicContact CG-CD1 4.4Å; L356-R461 VanDerWaalsContact CD2-CZ 3.42Å; L356-R461 VanDerWaalsContact CD2-NH1 3.25Å
357	R	98.2	Very high	97.4	Very high	147 Å²	147	63.1 Å²	63.1	56%	0.555	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-36	177.3	-82	-177	-91.1	-157.5	-4.1	113	E353 Q354 V355 E360 E361	E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 PolarHBondContact O-NE 2.93Å; E353-R357 VanDerWaalsContact O-NE 3.12Å; Q354-R357 PolarHBondContact O-N 2.81Å; V355-R357 VanDerWaalsContact C-N 3.3Å; V355-R357 PolarHBondContact O-N 2.82Å; R357-E360 PolarHBondContact O-N 3.25Å; R357-E361 WeakPolarHBondContact O-CB 3.47Å; R357-E361 PolarHBondContact O-N 2.65Å
358	V	98.3	Very high	97.7	Very high	17 Å²	17	63.9 Å²	63.9	10%	0.103	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-42.6	174.5	177.5	0	0	0	0	110.7	I332 I335 F346 T349 Q354 V355 L356 E361 F362	I332-V358 HydrophobicContact CD1-CB 3.69Å; I332-V358 HydrophobicContact CD1-CG1 3.4Å; I332-V358 VanDerWaalsContact CD1-CG1 3.4Å; I332-V358 HydrophobicContact CD1-CG2 4.37Å; I332-V358 HydrophobicContact CG2-CG1 4.42Å; I335-V358 HydrophobicContact CD1-CG1 3.39Å; F346-V358 HydrophobicContact CD1-CG1 4.33Å; F346-V358 HydrophobicContact CD1-CG2 4.13Å; F346-V358 HydrophobicContact CE1-CG1 3.72Å; F346-V358 HydrophobicContact CE1-CG2 3.91Å; F346-V358 HydrophobicContact CZ-CG1 4.23Å; T349-V358 HydrophobicContact CG2-CG2 4.12Å; Q354-V358 WeakPolarHBondContact O-CG2 3.19Å; Q354-V358 PolarHBondContact O-N 3.39Å; Q354-V358 VanDerWaalsContact O-N 3.07Å; V355-V358 WeakPolarHBondContact O-CB 3.5Å; V355-V358 PolarHBondContact O-N 2.94Å; V355-V358 VanDerWaalsContact O-N 3.11Å; L356-V358 VanDerWaalsContact C-N 3.32Å; L356-V358 PolarHBondContact O-N 3.09Å; V358-E361 PolarHBondContact O-N 2.97Å; V358-F362 VanDerWaalsContact O-CB 3.26Å; V358-F362 WeakPolarHBondContact O-CB 3.5Å; V358-F362 PolarHBondContact O-N 3.5Å
359	F	98.5	Very high	97.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-40.6	174.6	-84.6	-76	0	0	0	112.8	L261 I332 V355 L356 E361 F362 V363 F402 L451 L455 L458	L261-F359 HydrophobicContact CD1-CD1 4.21Å; L261-F359 HydrophobicContact CD1-CE1 3.82Å; L261-F359 HydrophobicContact CD1-CZ 4.1Å; L261-F359 HydrophobicContact CD2-CE1 4.21Å; L261-F359 HydrophobicContact CD2-CZ 4.03Å; I332-F359 HydrophobicContact CD1-CD2 4.28Å; I332-F359 HydrophobicContact CD1-CE2 3.97Å; I332-F359 HydrophobicContact CG1-CE2 4.44Å; V355-F359 HydrophobicContact CG1-CD2 3.93Å; V355-F359 HydrophobicContact CG1-CE2 3.94Å; V355-F359 WeakPolarHBondContact O-CD2 3.33Å; V355-F359 PolarHBondContact O-N 3.2Å; L356-F359 PolarHBondContact O-N 3.13Å; F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 2.83Å; F359-F362 HydrophobicContact CD1-CD1 4.45Å; F359-F362 PolarHBondContact O-N 2.8Å; F359-F362 VanDerWaalsContact O-N 3.16Å; F359-V363 WeakPolarHBondContact O-CG2 3.3Å; F359-V363 PolarHBondContact O-N 2.88Å; F359-F402 HydrophobicContact CE1-CD1 4.44Å; F359-F402 HydrophobicContact CE1-CE1 4.29Å; F359-F402 HydrophobicContact CE1-CZ 4.36Å; F359-F402 HydrophobicContact CZ-CE2 4.47Å; F359-F402 HydrophobicContact CZ-CZ 4.43Å; F359-L451 HydrophobicContact CE2-CD1 3.54Å; F359-L451 HydrophobicContact CZ-CD1 3.55Å; F359-L455 HydrophobicContact CB-CD1 4.47Å; F359-L455 HydrophobicContact CD1-CD1 3.83Å; F359-L455 HydrophobicContact CD1-CG 4.46Å; F359-L455 HydrophobicContact CD2-CD1 3.92Å; F359-L455 HydrophobicContact CE1-CD1 3.99Å; F359-L455 HydrophobicContact CE2-CD1 4.08Å; F359-L455 HydrophobicContact CG-CD1 3.8Å; F359-L455 HydrophobicContact CZ-CD1 4.12Å; F359-L458 HydrophobicContact CB-CD2 3.99Å
360	E	98.2	Very high	98	Very high	82 Å²	82	60 Å²	60	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-56.5	-47	174.4	-177.1	175.3	-137.7	0	0	111.3	L356 R357 Q364 L458	L356-E360 WeakPolarHBondContact O-CB 3.44Å; L356-E360 PolarHBondContact O-N 3.45Å; R357-E360 PolarHBondContact O-N 3.25Å; E360-Q364 PolarHBondContact O-N 3.23Å; E360-Q364 VanDerWaalsContact O-N 3.15Å; E360-L458 HydrophobicContact CB-CD1 3.76Å; E360-L458 HydrophobicContact CB-CD2 4.31Å; E360-L458 HydrophobicContact CG-CD1 4Å
361	E	97.6	Very high	98.1	Very high	119 Å²	119	59 Å²	59	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-67.7	-35.8	175.6	-170.4	-172.8	153.1	0	0	112.6	K337 R357 V358 F359 Q364	K337-E361 IonicContact NZ-OE1 2.89Å; K337-E361 PolarHBondContact NZ-OE1 3.14Å; R357-E361 WeakPolarHBondContact O-CB 3.47Å; R357-E361 PolarHBondContact O-N 2.65Å; V358-E361 PolarHBondContact O-N 2.97Å; F359-E361 VanDerWaalsContact C-N 3.34Å; F359-E361 PolarHBondContact O-N 2.83Å; E361-Q364 WeakPolarHBondContact O-CG 3.45Å
362	F	98	Very high	98.1	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-46.1	-179.4	178.2	-118.8	0	0	0	112.3	C259 L261 I335 V358 F359 Q364 Y373 F402 H404	C259-F362 HydrophobicContact CB-CE2 3.86Å; C259-F362 HydrophobicContact CB-CZ 4.31Å; L261-F362 HydrophobicContact CB-CD1 4.09Å; L261-F362 HydrophobicContact CB-CD2 4.13Å; L261-F362 HydrophobicContact CB-CE1 3.63Å; L261-F362 HydrophobicContact CB-CE2 3.68Å; L261-F362 HydrophobicContact CB-CG 4.31Å; L261-F362 HydrophobicContact CB-CZ 3.41Å; L261-F362 VanDerWaalsContact CB-CZ 3.41Å; L261-F362 HydrophobicContact CD1-CB 4.26Å; L261-F362 HydrophobicContact CD1-CD1 3.8Å; L261-F362 HydrophobicContact CD1-CD2 4.33Å; L261-F362 HydrophobicContact CD1-CE1 4.18Å; L261-F362 HydrophobicContact CD1-CG 3.88Å; I335-F362 HydrophobicContact CD1-CB 4.29Å; I335-F362 HydrophobicContact CD1-CD2 4.3Å; I335-F362 HydrophobicContact CG1-CD2 4.5Å; I335-F362 HydrophobicContact CG2-CD2 3.7Å; I335-F362 HydrophobicContact CG2-CE2 4.06Å; V358-F362 VanDerWaalsContact O-CB 3.26Å; V358-F362 WeakPolarHBondContact O-CB 3.5Å; V358-F362 PolarHBondContact O-N 3.5Å; F359-F362 HydrophobicContact CD1-CD1 4.45Å; F359-F362 PolarHBondContact O-N 2.8Å; F359-F362 VanDerWaalsContact O-N 3.16Å; F362-Q364 VanDerWaalsContact C-N 3.32Å; F362-Y373 AromaticContact CE1-CE2 4Å; F362-Y373 HydrophobicContact CE1-CE2 4Å; F362-Y373 WeakPolarHBondContact CE1-OH 3.41Å; F362-F402 HydrophobicContact CE1-CB 4.04Å; F362-F402 HydrophobicContact CZ-CB 4.36Å; F362-H404 AromaticContact CE1-CD2 3.63Å; F362-H404 AromaticContact CE1-NE2 3.65Å; F362-H404 AromaticContact CE2-NE2 3.65Å; F362-H404 AromaticContact CZ-CD2 3.4Å; F362-H404 WeakPolarHBondContact CZ-CD2 3.35Å; F362-H404 AromaticContact CZ-NE2 3.46Å; F362-H404 WeakPolarHBondContact CZ-NE2 3.41Å; F362-H404 PolarHBondContact O-CE1 3.21Å; F362-H404 PolarHBondContact O-NE2 3.29Å
363	V	97.6	Very high	98.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-80.4	-13.5	-180	-55.5	0	0	0	0	113.2	F359 G365 D366 V369 Y373 L458	F359-V363 WeakPolarHBondContact O-CG2 3.3Å; F359-V363 PolarHBondContact O-N 2.88Å; V363-G365 PolarHBondContact O-N 2.87Å; V363-G365 VanDerWaalsContact O-N 3.14Å; V363-D366 WeakPolarHBondContact O-CB 3.47Å; V363-D366 PolarHBondContact O-N 2.61Å; V363-V369 HydrophobicContact CG1-CG1 4.32Å; V363-Y373 HydrophobicContact CG1-CD2 4.29Å; V363-Y373 HydrophobicContact CG1-CE2 4.17Å; V363-L458 HydrophobicContact CG2-CD2 4.33Å
364	Q	96.5	Very high	98.1	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	33.6	174.3	-56.5	-176.4	-55.9	0	0	114.2	E360 E361 F362 D366	E360-Q364 PolarHBondContact O-N 3.23Å; E360-Q364 VanDerWaalsContact O-N 3.15Å; E361-Q364 WeakPolarHBondContact O-CG 3.45Å; F362-Q364 VanDerWaalsContact C-N 3.32Å; Q364-D366 VanDerWaalsContact C-N 3.3Å; Q364-D366 PolarHBondContact O-N 2.88Å
365	G	96.3	Very high	98.2	Very high	65 Å²	65	54.9 Å²	54.9	67%	0.67	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	10.6	-177.7	0	0	0	0	0	115	V363 E367	V363-G365 PolarHBondContact O-N 2.87Å; V363-G365 VanDerWaalsContact O-N 3.14Å; G365-E367 PolarHBondContact O-N 2.96Å; G365-E367 VanDerWaalsContact O-N 3.12Å
366	D	97.9	Very high	98.2	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.182	27%	0.272	C	S	.	.			trans	-77.2	94.7	175.5	-168.8	-30.8	0	0	0	111.2	V363 Q364 E368 V369 L370 H408	V363-D366 WeakPolarHBondContact O-CB 3.47Å; V363-D366 PolarHBondContact O-N 2.61Å; Q364-D366 VanDerWaalsContact C-N 3.3Å; Q364-D366 PolarHBondContact O-N 2.88Å; D366-E368 VanDerWaalsContact C-N 3.29Å; D366-E368 PolarHBondContact O-N 3.2Å; D366-E368 PolarHBondContact OD1-N 3.23Å; D366-E368 VanDerWaalsContact OD1-N 3.16Å; D366-V369 HydrophobicContact CB-CB 3.99Å; D366-V369 HydrophobicContact CB-CG2 4.1Å; D366-V369 PolarHBondContact O-N 2.88Å; D366-V369 PolarHBondContact OD1-N 2.98Å; D366-V369 VanDerWaalsContact OD2-CG2 3.28Å; D366-V369 WeakPolarHBondContact OD2-CG2 3.46Å; D366-L370 PolarHBondContact O-N 3.33Å; D366-H408 IonicContact OD1-ND1 3.47Å; D366-H408 PolarHBondContact OD1-ND1 3Å; D366-H408 IonicContact OD2-CE1 3.19Å; D366-H408 PolarHBondContact OD2-CE1 3.17Å; D366-H408 IonicContact OD2-CG 3.02Å; D366-H408 IonicContact OD2-ND1 2.8Å; D366-H408 PolarHBondContact OD2-ND1 3.1Å
367	E	98	Very high	98.2	Very high	162 Å²	162	56.5 Å²	56.5	76%	0.757	27%	0.272	S	S	*	.	H	α-helix	trans	-61.5	-34	-179.6	-65.6	175.6	-163.3	0	0	112.8	G365 L370 R371	G365-E367 PolarHBondContact O-N 2.96Å; G365-E367 VanDerWaalsContact O-N 3.12Å; E367-L370 PolarHBondContact O-N 2.72Å; E367-R371 VanDerWaalsContact O-CB 3.23Å; E367-R371 WeakPolarHBondContact O-CB 3.23Å; E367-R371 PolarHBondContact O-N 3.39Å
368	E	98.3	Very high	98.2	Very high	58 Å²	58	52.4 Å²	52.4	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-71.3	-41.2	-179.1	175.9	64.2	-175.1	0	0	110.8	D366 R371 R372 H408	D366-E368 VanDerWaalsContact C-N 3.29Å; D366-E368 PolarHBondContact O-N 3.2Å; D366-E368 PolarHBondContact OD1-N 3.23Å; D366-E368 VanDerWaalsContact OD1-N 3.16Å; E368-R371 IonicContact OE1-CZ 2.8Å; E368-R371 IonicContact OE1-NH2 2.88Å; E368-R371 PolarHBondContact OE1-NH2 2.96Å; E368-R371 IonicContact OE2-CZ 2.77Å; E368-R371 VanDerWaalsContact OE2-CZ 3.23Å; E368-R371 IonicContact OE2-NE 2.71Å; E368-R371 PolarHBondContact OE2-NE 2.79Å; E368-R371 IonicContact OE2-NH2 3.79Å; E368-R371 PolarHBondContact OE2-NH2 3.11Å; E368-R372 WeakPolarHBondContact O-CB 3.35Å; E368-R372 VanDerWaalsContact O-CG 3.25Å; E368-R372 WeakPolarHBondContact O-CG 3.02Å; E368-R372 PolarHBondContact O-N 3.05Å; E368-R372 IonicContact OE1-CZ 3.97Å; E368-R372 IonicContact OE1-NE 3.44Å; E368-R372 PolarHBondContact OE1-NE 3.46Å; E368-R372 IonicContact OE1-NH2 2.79Å; E368-R372 PolarHBondContact OE1-NH2 3.32Å; E368-H408 HydrophobicContact CB-CB 4.23Å; E368-H408 HydrophobicContact CG-CB 3.76Å
369	V	98.7	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-48.7	171.4	166.2	0	0	0	0	110.7	V363 D366 R371 R372 Y373 H404 H408 A410	V363-V369 HydrophobicContact CG1-CG1 4.32Å; D366-V369 HydrophobicContact CB-CB 3.99Å; D366-V369 HydrophobicContact CB-CG2 4.1Å; D366-V369 PolarHBondContact O-N 2.88Å; D366-V369 PolarHBondContact OD1-N 2.98Å; D366-V369 VanDerWaalsContact OD2-CG2 3.28Å; D366-V369 WeakPolarHBondContact OD2-CG2 3.46Å; V369-R371 VanDerWaalsContact C-N 3.35Å; V369-R371 PolarHBondContact O-N 2.84Å; V369-R372 PolarHBondContact O-N 3.35Å; V369-Y373 HydrophobicContact CG1-CD2 3.69Å; V369-Y373 HydrophobicContact CG1-CE2 3.32Å; V369-Y373 PolarHBondContact O-N 3.39Å; V369-H404 HydrophobicContact CG1-CB 3.68Å; V369-H404 HydrophobicContact CG2-CB 4.04Å; V369-H408 HydrophobicContact CG2-CB 4.31Å; V369-A410 HydrophobicContact CG1-CB 4.19Å
370	L	98.6	Very high	98.3	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-44.3	-179.8	-178.4	59	0	0	0	111.9	D366 E367 R372 Y373 L374 L455 L458 A459	D366-L370 PolarHBondContact O-N 3.33Å; E367-L370 PolarHBondContact O-N 2.72Å; L370-R372 PolarHBondContact O-N 2.89Å; L370-Y373 PolarHBondContact O-N 3.17Å; L370-L374 PolarHBondContact O-N 3.07Å; L370-L455 HydrophobicContact CD1-CB 4.06Å; L370-L455 HydrophobicContact CD1-CD2 4.18Å; L370-L455 HydrophobicContact CD1-CG 3.84Å; L370-L458 HydrophobicContact CD1-CD2 4.13Å; L370-L458 HydrophobicContact CD2-CB 4.27Å; L370-L458 HydrophobicContact CD2-CD2 4.12Å; L370-L458 HydrophobicContact CD2-CG 3.85Å; L370-A459 HydrophobicContact CD2-CB 3.79Å; L370-A459 HydrophobicContact CG-CB 4.25Å
371	R	98.6	Very high	98.3	Very high	111 Å²	111	55 Å²	55	42%	0.419	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-43.3	175.3	-173.8	-170.2	69.1	76.1	0.5	112	E367 E368 V369 L374 N375	E367-R371 VanDerWaalsContact O-CB 3.23Å; E367-R371 WeakPolarHBondContact O-CB 3.23Å; E367-R371 PolarHBondContact O-N 3.39Å; E368-R371 IonicContact OE1-CZ 2.8Å; E368-R371 IonicContact OE1-NH2 2.88Å; E368-R371 PolarHBondContact OE1-NH2 2.96Å; E368-R371 IonicContact OE2-CZ 2.77Å; E368-R371 VanDerWaalsContact OE2-CZ 3.23Å; E368-R371 IonicContact OE2-NE 2.71Å; E368-R371 PolarHBondContact OE2-NE 2.79Å; E368-R371 IonicContact OE2-NH2 3.79Å; E368-R371 PolarHBondContact OE2-NH2 3.11Å; V369-R371 VanDerWaalsContact C-N 3.35Å; V369-R371 PolarHBondContact O-N 2.84Å; R371-L374 PolarHBondContact O-N 3.44Å; R371-N375 PolarHBondContact NH1-ND2 2.86Å; R371-N375 VanDerWaalsContact NH1-ND2 3.18Å; R371-N375 PolarHBondContact O-N 3.21Å; R371-N375 PolarHBondContact O-ND2 2.87Å
372	R	98.8	Very high	98.4	Very high	89 Å²	89	53.5 Å²	53.5	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-40.5	177	-75.1	174.7	-175.2	-160.7	0.2	111.9	E368 V369 L370 N375 R376 H408 A410	E368-R372 WeakPolarHBondContact O-CB 3.35Å; E368-R372 VanDerWaalsContact O-CG 3.25Å; E368-R372 WeakPolarHBondContact O-CG 3.02Å; E368-R372 PolarHBondContact O-N 3.05Å; E368-R372 IonicContact OE1-CZ 3.97Å; E368-R372 IonicContact OE1-NE 3.44Å; E368-R372 PolarHBondContact OE1-NE 3.46Å; E368-R372 IonicContact OE1-NH2 2.79Å; E368-R372 PolarHBondContact OE1-NH2 3.32Å; V369-R372 PolarHBondContact O-N 3.35Å; L370-R372 PolarHBondContact O-N 2.89Å; R372-N375 PolarHBondContact O-N 3.24Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 2.9Å; R372-H408 VanDerWaalsContact CD-O 3.26Å; R372-H408 WeakPolarHBondContact CD-O 3.1Å; R372-H408 VanDerWaalsContact CZ-O 3.25Å; R372-H408 PolarHBondContact NE-O 2.79Å; R372-H408 PolarHBondContact NH1-O 3.11Å; R372-A410 HydrophobicContact CB-CB 3.74Å
373	Y	98.9	Very high	98.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-47.1	172.8	-73.8	-36.4	0	0	0	112.1	F362 V363 V369 L370 N375 R376 L377 F402 V403 H404 A410 G411 V412	F362-Y373 AromaticContact CE1-CE2 4Å; F362-Y373 HydrophobicContact CE1-CE2 4Å; F362-Y373 WeakPolarHBondContact CE1-OH 3.41Å; V363-Y373 HydrophobicContact CG1-CD2 4.29Å; V363-Y373 HydrophobicContact CG1-CE2 4.17Å; V369-Y373 HydrophobicContact CG1-CD2 3.69Å; V369-Y373 HydrophobicContact CG1-CE2 3.32Å; V369-Y373 PolarHBondContact O-N 3.39Å; L370-Y373 PolarHBondContact O-N 3.17Å; Y373-N375 PolarHBondContact O-N 2.66Å; Y373-R376 PolarHBondContact O-N 2.93Å; Y373-L377 WeakPolarHBondContact O-CB 3.49Å; Y373-L377 VanDerWaalsContact O-CG 3.28Å; Y373-L377 WeakPolarHBondContact O-CG 3.2Å; Y373-L377 PolarHBondContact O-N 2.92Å; Y373-F402 AromaticContact CD1-CD1 3.67Å; Y373-F402 HydrophobicContact CD1-CD1 3.67Å; Y373-F402 HydrophobicContact CD1-CE1 4.27Å; Y373-F402 HydrophobicContact CD2-CD1 4.19Å; Y373-F402 HydrophobicContact CE1-CB 4.06Å; Y373-F402 AromaticContact CE1-CD1 3.7Å; Y373-F402 HydrophobicContact CE1-CD1 3.7Å; Y373-F402 HydrophobicContact CE1-CG 4.37Å; Y373-F402 HydrophobicContact CE2-CD1 4.21Å; Y373-F402 AromaticContact CG-CD1 3.92Å; Y373-F402 HydrophobicContact CG-CD1 3.92Å; Y373-F402 HydrophobicContact CG-CE1 4.27Å; Y373-F402 AromaticContact CZ-CD1 3.95Å; Y373-V403 PolarHBondContact OH-N 3.42Å; Y373-V403 PolarHBondContact OH-O 3.04Å; Y373-H404 HydrophobicContact CE2-CB 4.44Å; Y373-H404 AromaticContact CZ-CD2 3.94Å; Y373-H404 VanDerWaalsContact OH-CB 3.28Å; Y373-H404 WeakPolarHBondContact OH-CB 3.32Å; Y373-H404 PolarHBondContact OH-CD2 2.97Å; Y373-H404 PolarHBondContact OH-N 2.98Å; Y373-A410 HydrophobicContact CD1-CB 4.02Å; Y373-A410 HydrophobicContact CE1-CB 3.85Å; Y373-G411 WeakPolarHBondContact CE1-O 3.36Å; Y373-V412 HydrophobicContact CD1-CG2 3.53Å; Y373-V412 HydrophobicContact CE1-CG2 4Å; Y373-V412 HydrophobicContact CG-CG2 4.5Å
374	L	98.8	Very high	98.5	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-51.5	176.6	-83.2	169	0	0	0	112.1	L370 R371 R376 L377 Q378 I452 L455 A456 A459	L370-L374 PolarHBondContact O-N 3.07Å; R371-L374 PolarHBondContact O-N 3.44Å; L374-R376 VanDerWaalsContact C-N 3.26Å; L374-R376 PolarHBondContact O-N 3.14Å; L374-L377 PolarHBondContact O-N 3.2Å; L374-Q378 WeakPolarHBondContact O-CB 3.16Å; L374-Q378 VanDerWaalsContact O-CG 3.22Å; L374-Q378 WeakPolarHBondContact O-CG 3.37Å; L374-Q378 PolarHBondContact O-N 3.43Å; L374-I452 HydrophobicContact CD2-CG2 4.48Å; L374-L455 HydrophobicContact CD2-CB 3.59Å; L374-L455 HydrophobicContact CG-CB 3.92Å; L374-A456 HydrophobicContact CD2-CB 4.17Å; L374-A459 HydrophobicContact CD1-CB 3.9Å
375	N	98.8	Very high	98.6	Very high	88 Å²	88	52.6 Å²	52.6	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-40.4	178.1	-72.5	-22.6	0	0	0	112.1	R371 R372 Y373 Q379	R371-N375 PolarHBondContact NH1-ND2 2.86Å; R371-N375 VanDerWaalsContact NH1-ND2 3.18Å; R371-N375 PolarHBondContact O-N 3.21Å; R371-N375 PolarHBondContact O-ND2 2.87Å; R372-N375 PolarHBondContact O-N 3.24Å; Y373-N375 PolarHBondContact O-N 2.66Å; N375-Q379 WeakPolarHBondContact O-CB 3.45Å; N375-Q379 PolarHBondContact O-N 3.25Å
376	R	98.9	Very high	98.7	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-41.9	178.4	179.1	55.3	175.8	177.9	-7.2	112.2	G229 R372 Y373 L374 Q379 I380 V412	G229-R376 PolarHBondContact O-NH1 3.48Å; G229-R376 PolarHBondContact O-NH2 3.39Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 2.9Å; Y373-R376 PolarHBondContact O-N 2.93Å; L374-R376 VanDerWaalsContact C-N 3.26Å; L374-R376 PolarHBondContact O-N 3.14Å; R376-Q379 PolarHBondContact O-N 3Å; R376-I380 HydrophobicContact CG-CD1 4.01Å; R376-I380 WeakPolarHBondContact O-CB 3.37Å; R376-I380 VanDerWaalsContact O-CG1 3.27Å; R376-I380 WeakPolarHBondContact O-CG1 3.29Å; R376-I380 PolarHBondContact O-N 3.42Å; R376-V412 HydrophobicContact CB-CG2 4.32Å; R376-V412 HydrophobicContact CG-CB 3.75Å; R376-V412 HydrophobicContact CG-CG2 3.88Å; R376-V412 PolarHBondContact NE-O 3.02Å; R376-V412 PolarHBondContact NH2-O 2.94Å
377	L	98.9	Very high	98.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-39.3	176.8	-70.2	175.2	0	0	0	112	Y373 L374 I380 R381 L400 F402 V412 L448 L451 I452 L455	Y373-L377 WeakPolarHBondContact O-CB 3.49Å; Y373-L377 VanDerWaalsContact O-CG 3.28Å; Y373-L377 WeakPolarHBondContact O-CG 3.2Å; Y373-L377 PolarHBondContact O-N 2.92Å; L374-L377 PolarHBondContact O-N 3.2Å; L377-I380 PolarHBondContact O-N 3.02Å; L377-R381 WeakPolarHBondContact O-CB 3.35Å; L377-R381 PolarHBondContact O-N 3.19Å; L377-L400 HydrophobicContact CD2-CD1 3.86Å; L377-F402 HydrophobicContact CD1-CE1 4.04Å; L377-F402 HydrophobicContact CD1-CZ 4.05Å; L377-F402 HydrophobicContact CD2-CE1 4.2Å; L377-F402 HydrophobicContact CD2-CZ 3.85Å; L377-F402 HydrophobicContact CG-CE1 4.33Å; L377-F402 HydrophobicContact CG-CZ 4.37Å; L377-V412 HydrophobicContact CD2-CG1 4.04Å; L377-V412 HydrophobicContact CD2-CG2 4.43Å; L377-L448 HydrophobicContact CB-CD1 4.29Å; L377-L448 HydrophobicContact CD2-CD1 3.83Å; L377-L451 HydrophobicContact CD1-CD2 4.41Å; L377-L451 HydrophobicContact CD1-CG 4.18Å; L377-L451 HydrophobicContact CD2-CD2 4.45Å; L377-I452 HydrophobicContact CB-CD1 4.15Å; L377-I452 HydrophobicContact CB-CG1 3.69Å; L377-I452 HydrophobicContact CD1-CG1 4.26Å; L377-L455 HydrophobicContact CD1-CD2 3.75Å
378	Q	98.9	Very high	98.7	Very high	60 Å²	60	49 Å²	49	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-50.6	172.9	-69.8	-69.5	-2.2	0	0	111	L374 I380 R381 D382	L374-Q378 WeakPolarHBondContact O-CB 3.16Å; L374-Q378 VanDerWaalsContact O-CG 3.22Å; L374-Q378 WeakPolarHBondContact O-CG 3.37Å; L374-Q378 PolarHBondContact O-N 3.43Å; Q378-I380 VanDerWaalsContact C-N 3.32Å; Q378-I380 PolarHBondContact O-N 3.05Å; Q378-R381 WeakPolarHBondContact O-CB 3.21Å; Q378-R381 PolarHBondContact O-N 2.71Å; Q378-R381 VanDerWaalsContact O-N 3.13Å; Q378-R381 VanDerWaalsContact OE1-CZ 3.28Å; Q378-D382 VanDerWaalsContact O-CG 3.24Å; Q378-D382 PolarHBondContact O-N 2.81Å
379	Q	98.8	Very high	98.8	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	22%	0.22	S	C	.	.	H	α-helix	trans	-59.3	-42.4	176	-171.9	-148.2	4.9	0	0	112.2	N375 R376 R381 D382 T383	N375-Q379 WeakPolarHBondContact O-CB 3.45Å; N375-Q379 PolarHBondContact O-N 3.25Å; R376-Q379 PolarHBondContact O-N 3Å; Q379-R381 VanDerWaalsContact C-N 3.33Å; Q379-D382 PolarHBondContact O-N 2.79Å; Q379-T383 WeakPolarHBondContact O-CB 3.44Å; Q379-T383 PolarHBondContact O-N 3.32Å; Q379-T383 PolarHBondContact O-OG1 2.8Å
380	I	98.9	Very high	98.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-46.2	176.2	-75.5	167.2	0	0	0	109.9	C230 R376 L377 Q378 T383 L384 L400 V412 L414 L448	C230-I380 HydrophobicContact CB-CG1 4.38Å; R376-I380 HydrophobicContact CG-CD1 4.01Å; R376-I380 WeakPolarHBondContact O-CB 3.37Å; R376-I380 VanDerWaalsContact O-CG1 3.27Å; R376-I380 WeakPolarHBondContact O-CG1 3.29Å; R376-I380 PolarHBondContact O-N 3.42Å; L377-I380 PolarHBondContact O-N 3.02Å; Q378-I380 VanDerWaalsContact C-N 3.32Å; Q378-I380 PolarHBondContact O-N 3.05Å; I380-T383 PolarHBondContact O-N 3.17Å; I380-L384 HydrophobicContact CG2-CD1 3.59Å; I380-L384 HydrophobicContact CG2-CG 4.15Å; I380-L384 WeakPolarHBondContact O-CB 3.47Å; I380-L384 VanDerWaalsContact O-CG 3.24Å; I380-L384 WeakPolarHBondContact O-CG 3.43Å; I380-L384 PolarHBondContact O-N 2.9Å; I380-L400 HydrophobicContact CD1-CD2 4.38Å; I380-V412 HydrophobicContact CD1-CB 3.92Å; I380-V412 HydrophobicContact CD1-CG1 4.07Å; I380-L414 HydrophobicContact CD1-CD1 4.4Å; I380-L414 HydrophobicContact CG2-CD1 3.84Å; I380-L448 HydrophobicContact CG2-CD2 4.14Å
381	R	98.9	Very high	98.8	Very high	57 Å²	57	50.6 Å²	50.6	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-51.6	177.4	-177.5	171.3	63.4	172.2	8.2	111.5	L377 Q378 Q379 T383 L384 E385 L445 L448 D449 I452	L377-R381 WeakPolarHBondContact O-CB 3.35Å; L377-R381 PolarHBondContact O-N 3.19Å; Q378-R381 WeakPolarHBondContact O-CB 3.21Å; Q378-R381 PolarHBondContact O-N 2.71Å; Q378-R381 VanDerWaalsContact O-N 3.13Å; Q378-R381 VanDerWaalsContact OE1-CZ 3.28Å; Q379-R381 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 2.98Å; R381-L384 WeakPolarHBondContact O-CB 3.49Å; R381-L384 PolarHBondContact O-N 3.29Å; R381-L384 VanDerWaalsContact O-N 3.12Å; R381-E385 WeakPolarHBondContact O-CG 3.42Å; R381-E385 PolarHBondContact O-N 3.48Å; R381-L445 HydrophobicContact CG-CD2 4.35Å; R381-L448 HydrophobicContact CB-CD2 3.62Å; R381-L448 HydrophobicContact CB-CG 4.29Å; R381-L448 HydrophobicContact CG-CD2 4.16Å; R381-D449 WeakPolarHBondContact CD-OD1 3.41Å; R381-D449 IonicContact CZ-OD1 3.33Å; R381-D449 IonicContact NE-OD1 2.81Å; R381-D449 IonicContact NH1-OD1 3.63Å; R381-D449 PolarHBondContact NH1-OD1 2.97Å; R381-I452 HydrophobicContact CB-CD1 4.21Å
382	D	98.8	Very high	98.8	Very high	88 Å²	88	51 Å²	51	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-36.9	180	-59.5	-16.2	0	0	0	111.3	Q378 Q379	Q378-D382 VanDerWaalsContact O-CG 3.24Å; Q378-D382 PolarHBondContact O-N 2.81Å; Q379-D382 PolarHBondContact O-N 2.79Å
383	T	98.9	Very high	98.8	Very high	24 Å²	24	46.9 Å²	46.9	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-72.2	-39.2	177.8	-50.8	0	0	0	0	112.1	A226 L227 Q379 I380 R381 E385 V386 S387	A226-T383 VanDerWaalsContact C-CG2 3.48Å; A226-T383 HydrophobicContact CB-CG2 3.9Å; A226-T383 VanDerWaalsContact O-CG2 3.28Å; A226-T383 WeakPolarHBondContact O-CG2 3.42Å; L227-T383 HydrophobicContact CD2-CG2 3.79Å; L227-T383 HydrophobicContact CG-CG2 4.28Å; Q379-T383 WeakPolarHBondContact O-CB 3.44Å; Q379-T383 PolarHBondContact O-N 3.32Å; Q379-T383 PolarHBondContact O-OG1 2.8Å; I380-T383 PolarHBondContact O-N 3.17Å; R381-T383 PolarHBondContact O-N 2.98Å; T383-E385 VanDerWaalsContact C-N 3.35Å; T383-V386 WeakPolarHBondContact O-CG2 3.27Å; T383-V386 PolarHBondContact O-N 2.95Å; T383-S387 WeakPolarHBondContact O-CB 3.37Å; T383-S387 PolarHBondContact O-N 3.09Å; T383-S387 VanDerWaalsContact O-N 3.11Å
384	L	98.9	Very high	98.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-42.1	176.4	-73.5	164.7	0	0	0	111.1	L227 I380 R381 V386 S387 F390 L414 Y444 L445 L448	L227-L384 HydrophobicContact CD1-CD2 3.8Å; L227-L384 HydrophobicContact CD2-CD2 3.58Å; L227-L384 HydrophobicContact CD2-CG 3.88Å; L227-L384 HydrophobicContact CG-CD2 4.31Å; I380-L384 HydrophobicContact CG2-CD1 3.59Å; I380-L384 HydrophobicContact CG2-CG 4.15Å; I380-L384 WeakPolarHBondContact O-CB 3.47Å; I380-L384 VanDerWaalsContact O-CG 3.24Å; I380-L384 WeakPolarHBondContact O-CG 3.43Å; I380-L384 PolarHBondContact O-N 2.9Å; R381-L384 WeakPolarHBondContact O-CB 3.49Å; R381-L384 PolarHBondContact O-N 3.29Å; R381-L384 VanDerWaalsContact O-N 3.12Å; L384-V386 PolarHBondContact O-N 3.4Å; L384-S387 PolarHBondContact O-N 3.29Å; L384-F390 HydrophobicContact CB-CD1 3.85Å; L384-F390 HydrophobicContact CB-CE1 3.95Å; L384-F390 HydrophobicContact CB-CG 4.3Å; L384-F390 HydrophobicContact CB-CZ 4.5Å; L384-F390 HydrophobicContact CD2-CB 4.2Å; L384-F390 HydrophobicContact CD2-CD1 3.9Å; L384-F390 HydrophobicContact CD2-CD2 3.37Å; L384-F390 HydrophobicContact CD2-CE1 4.06Å; L384-F390 HydrophobicContact CD2-CE2 3.57Å; L384-F390 HydrophobicContact CD2-CG 3.55Å; L384-F390 HydrophobicContact CD2-CZ 3.91Å; L384-F390 HydrophobicContact CG-CD1 4.46Å; L384-F390 HydrophobicContact CG-CE1 4.46Å; L384-F390 WeakPolarHBondContact O-CD1 3.3Å; L384-L414 HydrophobicContact CD2-CD2 4Å; L384-Y444 HydrophobicContact CD1-CD1 4.32Å; L384-Y444 HydrophobicContact CD1-CE1 3.85Å; L384-L445 HydrophobicContact CB-CD2 4.07Å; L384-L445 HydrophobicContact CD1-CD2 3.97Å; L384-L448 HydrophobicContact CD1-CD2 3.54Å
385	E	98.7	Very high	98.7	Very high	99 Å²	99	45.8 Å²	45.8	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-23.8	-178.1	-72.2	-175.4	162.1	0	0	114	R381 T383 R432 L445	R381-E385 WeakPolarHBondContact O-CG 3.42Å; R381-E385 PolarHBondContact O-N 3.48Å; T383-E385 VanDerWaalsContact C-N 3.35Å; E385-R432 IonicContact OE1-CZ 3.74Å; E385-R432 VanDerWaalsContact OE1-CZ 3.24Å; E385-R432 IonicContact OE1-NH1 3.56Å; E385-R432 PolarHBondContact OE1-NH1 2.91Å; E385-R432 IonicContact OE1-NH2 3.69Å; E385-R432 PolarHBondContact OE1-NH2 3.48Å; E385-L445 HydrophobicContact CG-CD1 4.13Å
386	V	98.5	Very high	98.7	Very high	102 Å²	102	41.6 Å²	41.6	62%	0.618	19%	0.193	S	C	*	.	H	α-helix	trans	-106.1	-3	177.3	-56.6	0	0	0	0	113.5	A226 T383 L384 E388	A226-V386 HydrophobicContact CB-CG2 4.48Å; T383-V386 WeakPolarHBondContact O-CG2 3.27Å; T383-V386 PolarHBondContact O-N 2.95Å; L384-V386 PolarHBondContact O-N 3.4Å; V386-E388 PolarHBondContact O-N 3Å
387	S	98.8	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.			trans	-72.9	126	-175.9	170.2	0	0	0	0	111.7	D225 L227 T383 L384 F389 F390 R391	D225-S387 VanDerWaalsContact CG-OG 3.22Å; D225-S387 WeakPolarHBondContact OD1-CB 3.26Å; D225-S387 PolarHBondContact OD1-OG 3.43Å; D225-S387 PolarHBondContact OD2-OG 3.26Å; L227-S387 VanDerWaalsContact CD1-OG 3.31Å; L227-S387 WeakPolarHBondContact CD1-OG 3.47Å; T383-S387 WeakPolarHBondContact O-CB 3.37Å; T383-S387 PolarHBondContact O-N 3.09Å; T383-S387 VanDerWaalsContact O-N 3.11Å; L384-S387 PolarHBondContact O-N 3.29Å; S387-F389 VanDerWaalsContact C-N 3.34Å; S387-F389 PolarHBondContact OG-N 2.66Å; S387-F390 WeakPolarHBondContact OG-CB 3.36Å; S387-F390 PolarHBondContact OG-N 3.26Å; S387-R391 WeakPolarHBondContact O-CG 3.17Å; S387-R391 PolarHBondContact O-N 3Å
388	E	98.4	Very high	98.5	Very high	83 Å²	83	40.4 Å²	40.4	39%	0.388	19%	0.192	S	C	.	.	H	α-helix	trans	-69.5	-35.8	173.6	-75.5	-61.1	146	0	0	111.7	D225 V386 R391 R392	D225-E388 PolarHBondContact OD2-N 3.47Å; V386-E388 PolarHBondContact O-N 3Å; E388-R391 VanDerWaalsContact CD-NE 3.29Å; E388-R391 IonicContact OE1-CZ 3.39Å; E388-R391 IonicContact OE1-NE 2.79Å; E388-R391 PolarHBondContact OE1-NE 2.66Å; E388-R391 IonicContact OE1-NH1 3.99Å; E388-R391 IonicContact OE1-NH2 3.79Å; E388-R391 PolarHBondContact OE1-NH2 2.83Å; E388-R391 IonicContact OE2-CZ 3.23Å; E388-R391 IonicContact OE2-NE 3.91Å; E388-R391 PolarHBondContact OE2-NE 2.88Å; E388-R391 IonicContact OE2-NH2 2.85Å; E388-R391 PolarHBondContact OE2-NH2 2.82Å; E388-R392 WeakPolarHBondContact O-CB 3.5Å; E388-R392 WeakPolarHBondContact O-CD 3.19Å; E388-R392 WeakPolarHBondContact O-CG 3.45Å; E388-R392 IonicContact OE2-CZ 3.82Å; E388-R392 IonicContact OE2-NE 3.66Å; E388-R392 IonicContact OE2-NH2 3.48Å
389	F	98.7	Very high	98.4	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-58.5	171.5	177.1	-91.3	0	0	0	109.7	C218 R221 L222 D225 L227 S387 R391 R392 H393 T420	C218-F389 HydrophobicContact CB-CE2 4.14Å; C218-F389 HydrophobicContact CB-CZ 3.86Å; R221-F389 HydrophobicContact CB-CD2 3.77Å; R221-F389 HydrophobicContact CB-CE2 4.03Å; L222-F389 HydrophobicContact CD1-CE1 4.19Å; L222-F389 HydrophobicContact CD1-CZ 4.16Å; L222-F389 HydrophobicContact CD2-CB 4.46Å; L222-F389 HydrophobicContact CD2-CD1 3.52Å; L222-F389 HydrophobicContact CD2-CD2 4.45Å; L222-F389 HydrophobicContact CD2-CE1 3.78Å; L222-F389 HydrophobicContact CD2-CG 3.89Å; L222-F389 HydrophobicContact CD2-CZ 4.35Å; L222-F389 HydrophobicContact CG-CD1 4.08Å; L222-F389 HydrophobicContact CG-CD2 4.28Å; L222-F389 HydrophobicContact CG-CE1 4Å; L222-F389 HydrophobicContact CG-CE2 4.2Å; L222-F389 HydrophobicContact CG-CG 4.22Å; L222-F389 HydrophobicContact CG-CZ 4.06Å; D225-F389 HydrophobicContact CB-CB 4.05Å; D225-F389 VanDerWaalsContact CG-CB 3.48Å; D225-F389 WeakPolarHBondContact OD2-CB 3.25Å; D225-F389 PolarHBondContact OD2-N 2.93Å; L227-F389 HydrophobicContact CD1-CD1 4.24Å; S387-F389 VanDerWaalsContact C-N 3.34Å; S387-F389 PolarHBondContact OG-N 2.66Å; F389-R391 PolarHBondContact O-N 2.72Å; F389-R392 PolarHBondContact O-N 3.36Å; F389-H393 AromaticContact CD2-CE1 3.35Å; F389-H393 WeakPolarHBondContact CD2-CE1 3.3Å; F389-H393 AromaticContact CD2-ND1 3.62Å; F389-H393 AromaticContact CD2-NE2 3.79Å; F389-H393 HydrophobicContact CE1-CB 4.45Å; F389-H393 AromaticContact CE2-CD2 3.64Å; F389-H393 AromaticContact CE2-CE1 3.48Å; F389-H393 VanDerWaalsContact CE2-CE1 3.48Å; F389-H393 WeakPolarHBondContact CE2-CE1 3.46Å; F389-H393 AromaticContact CE2-CG 3.86Å; F389-H393 AromaticContact CE2-ND1 3.75Å; F389-H393 AromaticContact CE2-NE2 3.41Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.19Å; F389-H393 AromaticContact CG-ND1 3.9Å; F389-H393 HydrophobicContact CZ-CB 4.44Å; F389-H393 AromaticContact CZ-CD2 3.85Å; F389-H393 AromaticContact CZ-CG 3.9Å; F389-H393 PolarHBondContact O-N 3.41Å; F389-H393 PolarHBondContact O-ND1 3.47Å; F389-T420 HydrophobicContact CE1-CG2 4.13Å; F389-T420 HydrophobicContact CZ-CG2 3.81Å
390	F	98.8	Very high	98.5	Very high	4 Å²	4	33 Å²	33	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-53.7	-169.7	-169.5	-116.5	0	0	0	112.2	L227 L384 S387 R392 H393 V395 H431 Y444 L445	L227-F390 HydrophobicContact CD1-CB 4.07Å; L384-F390 HydrophobicContact CB-CD1 3.85Å; L384-F390 HydrophobicContact CB-CE1 3.95Å; L384-F390 HydrophobicContact CB-CG 4.3Å; L384-F390 HydrophobicContact CB-CZ 4.5Å; L384-F390 HydrophobicContact CD2-CB 4.2Å; L384-F390 HydrophobicContact CD2-CD1 3.9Å; L384-F390 HydrophobicContact CD2-CD2 3.37Å; L384-F390 HydrophobicContact CD2-CE1 4.06Å; L384-F390 HydrophobicContact CD2-CE2 3.57Å; L384-F390 HydrophobicContact CD2-CG 3.55Å; L384-F390 HydrophobicContact CD2-CZ 3.91Å; L384-F390 HydrophobicContact CG-CD1 4.46Å; L384-F390 HydrophobicContact CG-CE1 4.46Å; L384-F390 WeakPolarHBondContact O-CD1 3.3Å; S387-F390 WeakPolarHBondContact OG-CB 3.36Å; S387-F390 PolarHBondContact OG-N 3.26Å; F390-R392 PolarHBondContact O-N 2.86Å; F390-H393 PolarHBondContact O-N 3.38Å; F390-V395 HydrophobicContact CD2-CG2 3.74Å; F390-V395 HydrophobicContact CE2-CB 4.21Å; F390-V395 HydrophobicContact CE2-CG2 3.73Å; F390-H431 AromaticContact CD1-CD2 3.5Å; F390-H431 AromaticContact CD1-NE2 3.55Å; F390-H431 HydrophobicContact CE1-CB 3.83Å; F390-H431 AromaticContact CE1-CD2 3.15Å; F390-H431 WeakPolarHBondContact CE1-CD2 3.42Å; F390-H431 AromaticContact CE1-CE1 3.98Å; F390-H431 AromaticContact CE1-CG 3.37Å; F390-H431 AromaticContact CE1-ND1 3.91Å; F390-H431 AromaticContact CE1-NE2 3.58Å; F390-H431 AromaticContact CG-NE2 3.95Å; F390-H431 HydrophobicContact CZ-CB 3.91Å; F390-H431 AromaticContact CZ-CD2 3.76Å; F390-H431 AromaticContact CZ-CE1 3.93Å; F390-H431 AromaticContact CZ-CG 3.51Å; F390-H431 AromaticContact CZ-ND1 3.67Å; F390-H431 PolarHBondContact O-CE1 3.39Å; F390-H431 PolarHBondContact O-NE2 3.34Å; F390-Y444 AromaticContact CE2-CD1 3.89Å; F390-Y444 HydrophobicContact CE2-CD1 3.89Å; F390-Y444 HydrophobicContact CE2-CD2 4.32Å; F390-Y444 HydrophobicContact CE2-CE1 4.35Å; F390-Y444 AromaticContact CE2-CG 3.91Å; F390-Y444 HydrophobicContact CE2-CG 3.91Å; F390-Y444 AromaticContact CZ-CD1 3.61Å; F390-Y444 HydrophobicContact CZ-CD1 3.61Å; F390-Y444 HydrophobicContact CZ-CE1 4.37Å; F390-Y444 AromaticContact CZ-CG 3.79Å; F390-Y444 HydrophobicContact CZ-CG 3.79Å; F390-L445 HydrophobicContact CE1-CD1 3.95Å; F390-L445 HydrophobicContact CE1-CD2 4.19Å; F390-L445 HydrophobicContact CE1-CG 3.77Å; F390-L445 HydrophobicContact CZ-CG 4.17Å
391	R	98.6	Very high	98.4	Very high	94 Å²	94	34 Å²	34	36%	0.355	16%	0.162	S	C	.	.	H	α-helix	trans	-59.9	-19.2	-178.7	77.9	-172	-170.6	160.2	3.4	114.5	S387 E388 F389 I428 L429	S387-R391 WeakPolarHBondContact O-CG 3.17Å; S387-R391 PolarHBondContact O-N 3Å; E388-R391 VanDerWaalsContact CD-NE 3.29Å; E388-R391 IonicContact OE1-CZ 3.39Å; E388-R391 IonicContact OE1-NE 2.79Å; E388-R391 PolarHBondContact OE1-NE 2.66Å; E388-R391 IonicContact OE1-NH1 3.99Å; E388-R391 IonicContact OE1-NH2 3.79Å; E388-R391 PolarHBondContact OE1-NH2 2.83Å; E388-R391 IonicContact OE2-CZ 3.23Å; E388-R391 IonicContact OE2-NE 3.91Å; E388-R391 PolarHBondContact OE2-NE 2.88Å; E388-R391 IonicContact OE2-NH2 2.85Å; E388-R391 PolarHBondContact OE2-NH2 2.82Å; F389-R391 PolarHBondContact O-N 2.72Å; R391-I428 HydrophobicContact CG-CG2 4.24Å; R391-I428 CarbonylContact O-C 3.5Å; R391-I428 WeakPolarHBondContact O-CA 3.29Å; R391-I428 WeakPolarHBondContact O-CB 3.37Å; R391-L429 PolarHBondContact O-N 2.88Å
392	R	98.5	Very high	98.4	Very high	119 Å²	119	31.3 Å²	31.3	45%	0.449	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.8	-177.4	-68	-177.4	173.9	-173.1	0.8	113.7	E388 F389 F390 L423	E388-R392 WeakPolarHBondContact O-CB 3.5Å; E388-R392 WeakPolarHBondContact O-CD 3.19Å; E388-R392 WeakPolarHBondContact O-CG 3.45Å; E388-R392 IonicContact OE2-CZ 3.82Å; E388-R392 IonicContact OE2-NE 3.66Å; E388-R392 IonicContact OE2-NH2 3.48Å; F389-R392 PolarHBondContact O-N 3.36Å; F390-R392 PolarHBondContact O-N 2.86Å; R392-L423 WeakPolarHBondContact O-CG 3.23Å; R392-L423 PolarHBondContact O-N 3.01Å
393	H	98.7	Very high	98.4	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.5	179.9	-67.8	70.7	0	0	0	110.3	Y217 F389 F390 V395 T420 T421 H431	Y217-H393 AromaticContact CE1-NE2 3.41Å; Y217-H393 WeakPolarHBondContact CE1-NE2 3.42Å; Y217-H393 AromaticContact CZ-NE2 3.91Å; Y217-H393 PolarHBondContact OH-NE2 2.95Å; F389-H393 AromaticContact CD2-CE1 3.35Å; F389-H393 WeakPolarHBondContact CD2-CE1 3.3Å; F389-H393 AromaticContact CD2-ND1 3.62Å; F389-H393 AromaticContact CD2-NE2 3.79Å; F389-H393 HydrophobicContact CE1-CB 4.45Å; F389-H393 AromaticContact CE2-CD2 3.64Å; F389-H393 AromaticContact CE2-CE1 3.48Å; F389-H393 VanDerWaalsContact CE2-CE1 3.48Å; F389-H393 WeakPolarHBondContact CE2-CE1 3.46Å; F389-H393 AromaticContact CE2-CG 3.86Å; F389-H393 AromaticContact CE2-ND1 3.75Å; F389-H393 AromaticContact CE2-NE2 3.41Å; F389-H393 WeakPolarHBondContact CE2-NE2 3.19Å; F389-H393 AromaticContact CG-ND1 3.9Å; F389-H393 HydrophobicContact CZ-CB 4.44Å; F389-H393 AromaticContact CZ-CD2 3.85Å; F389-H393 AromaticContact CZ-CG 3.9Å; F389-H393 PolarHBondContact O-N 3.41Å; F389-H393 PolarHBondContact O-ND1 3.47Å; F390-H393 PolarHBondContact O-N 3.38Å; H393-V395 HydrophobicContact CB-CG2 4.23Å; H393-T420 HydrophobicContact CB-CG2 3.9Å; H393-T421 CarbonylContact C-O 3.19Å; H393-T421 VanDerWaalsContact CA-O 3.24Å; H393-T421 WeakPolarHBondContact CA-O 3.41Å; H393-T421 WeakPolarHBondContact CB-O 3.43Å; H393-H431 PolarHBondContact O-CE1 2.81Å; H393-H431 VanDerWaalsContact O-CE1 3.25Å
394	E	98.4	Very high	98.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.4	161.1	170	-178.9	-169.4	0	0	107.6	R268 L271 I396 T420 T421 L423 L429 R440	R268-E394 IonicContact CZ-OE1 3.88Å; R268-E394 IonicContact NH1-OE1 3.11Å; R268-E394 PolarHBondContact NH1-OE1 3.28Å; R268-E394 IonicContact NH2-OE1 3.63Å; R268-E394 PolarHBondContact NH2-OE1 2.84Å; L271-E394 HydrophobicContact CD2-CG 4.35Å; E394-I396 HydrophobicContact CG-CD1 4.47Å; E394-I396 HydrophobicContact CG-CG1 3.6Å; E394-I396 PolarHBondContact O-N 3.13Å; E394-T420 WeakPolarHBondContact O-CA 3.44Å; E394-T421 PolarHBondContact N-O 3.14Å; E394-T421 PolarHBondContact O-N 2.97Å; E394-L423 HydrophobicContact CB-CD2 4.2Å; E394-L429 HydrophobicContact CB-CD1 4.22Å; E394-R440 IonicContact OE2-CZ 3.75Å; E394-R440 IonicContact OE2-NE 3.82Å; E394-R440 PolarHBondContact OE2-NE 3.28Å; E394-R440 IonicContact OE2-NH2 2.7Å; E394-R440 PolarHBondContact OE2-NH2 3.35Å
395	V	98.5	Very high	98.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	83.6	-170.7	-171.4	0	0	0	0	110.2	F390 H393 S398 T420 D442 Y444	F390-V395 HydrophobicContact CD2-CG2 3.74Å; F390-V395 HydrophobicContact CE2-CB 4.21Å; F390-V395 HydrophobicContact CE2-CG2 3.73Å; H393-V395 HydrophobicContact CB-CG2 4.23Å; V395-S398 WeakPolarHBondContact CG1-OG 3.48Å; V395-T420 HydrophobicContact CB-CG2 4.43Å; V395-T420 HydrophobicContact CG1-CG2 4.39Å; V395-T420 HydrophobicContact CG2-CG2 4.04Å; V395-D442 PolarHBondContact N-OD2 3.31Å; V395-Y444 HydrophobicContact CB-CD2 4.12Å; V395-Y444 HydrophobicContact CG1-CD2 3.82Å; V395-Y444 HydrophobicContact CG1-CE2 3.84Å
396	I	98.1	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.7	-176.5	-65.2	-69.9	0	0	0	111.2	R268 L271 E394 S398 K419 D442	R268-I396 HydrophobicContact CB-CD1 4.27Å; R268-I396 HydrophobicContact CG-CD1 4.36Å; R268-I396 VanDerWaalsContact O-CD1 3.31Å; R268-I396 WeakPolarHBondContact O-CD1 3.41Å; L271-I396 HydrophobicContact CD2-CB 4.1Å; L271-I396 HydrophobicContact CD2-CG1 4.17Å; L271-I396 HydrophobicContact CD2-CG2 4.49Å; E394-I396 HydrophobicContact CG-CD1 4.47Å; E394-I396 HydrophobicContact CG-CG1 3.6Å; E394-I396 PolarHBondContact O-N 3.13Å; I396-S398 PolarHBondContact O-N 3.41Å; I396-S398 VanDerWaalsContact O-N 3.17Å; I396-K419 HydrophobicContact CB-CB 4.45Å; I396-K419 HydrophobicContact CG2-CB 4.34Å; I396-K419 HydrophobicContact CG2-CD 4.41Å; I396-K419 CarbonylContact O-C 3.44Å; I396-K419 WeakPolarHBondContact O-CB 3.34Å; I396-D442 HydrophobicContact CD1-CB 3.76Å; I396-D442 HydrophobicContact CG1-CB 4.47Å
397	G	94.9	Very high	98.2	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	12%	0.118	C	C	.	.	S	Bend	trans	78.2	-7.3	170	0	0	0	0	0	115.5	K264	K264-G397 PolarHBondContact NZ-O 3.19Å
398	S	98	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.			trans	-70.2	162.6	173.7	59.6	0	0	0	0	112.7	M265 V395 I396 I415 D416 Y444	M265-S398 PolarHBondContact N-O 3.39Å; V395-S398 WeakPolarHBondContact CG1-OG 3.48Å; I396-S398 PolarHBondContact O-N 3.41Å; I396-S398 VanDerWaalsContact O-N 3.17Å; S398-I415 VanDerWaalsContact CA-O 3.27Å; S398-I415 WeakPolarHBondContact CA-O 3.37Å; S398-I415 WeakPolarHBondContact CB-O 3.39Å; S398-D416 VanDerWaalsContact CA-O 3.25Å; S398-D416 WeakPolarHBondContact CA-O 3.45Å; S398-Y444 WeakPolarHBondContact OG-CE2 3.48Å
399	S	98.6	Very high	98.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.8	178.7	-69	0	0	0	0	112.5	D262 C263 K264 L414 I415	D262-S399 WeakPolarHBondContact OD1-CB 3.2Å; D262-S399 PolarHBondContact OD1-OG 2.74Å; C263-S399 CarbonylContact O-C 3.47Å; C263-S399 WeakPolarHBondContact O-CA 3.36Å; C263-S399 WeakPolarHBondContact O-CB 3.45Å; K264-S399 WeakPolarHBondContact CA-OG 3.48Å; S399-L414 CarbonylContact O-C 3.47Å; S399-L414 WeakPolarHBondContact O-CA 3.43Å; S399-I415 PolarHBondContact N-O 3.49Å; S399-I415 PolarHBondContact O-N 3.03Å
400	L	98.9	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.3	156.9	-70.7	174.6	0	0	0	109	C263 M265 L377 I380 F402 V412 W413 L414 L448 L451	C263-L400 HydrophobicContact CB-CB 4.41Å; C263-L400 PolarHBondContact N-O 3.18Å; C263-L400 PolarHBondContact O-N 3.23Å; M265-L400 HydrophobicContact CE-CD1 3.88Å; M265-L400 HydrophobicContact CG-CB 4.44Å; M265-L400 HydrophobicContact CG-CD1 4.22Å; M265-L400 HydrophobicContact CG-CG 3.86Å; M265-L400 HydrophobicContact SD-CB 4.29Å; M265-L400 HydrophobicContact SD-CD1 3.64Å; M265-L400 HydrophobicContact SD-CG 3.87Å; L377-L400 HydrophobicContact CD2-CD1 3.86Å; I380-L400 HydrophobicContact CD1-CD2 4.38Å; L400-F402 HydrophobicContact CB-CD2 4.41Å; L400-F402 HydrophobicContact CB-CE2 3.82Å; L400-V412 HydrophobicContact CB-CG1 3.96Å; L400-V412 HydrophobicContact CD2-CG1 3.99Å; L400-V412 HydrophobicContact CG-CG1 4.41Å; L400-W413 CarbonylContact C-O 3.51Å; L400-W413 WeakPolarHBondContact CA-O 3.38Å; L400-L414 HydrophobicContact CD2-CD1 3.75Å; L400-L414 HydrophobicContact CD2-CG 3.75Å; L400-L448 HydrophobicContact CD1-CD1 4.03Å; L400-L451 HydrophobicContact CD1-CD2 3.93Å
401	L	98.7	Very high	98.1	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.5	175.2	-168.2	73.5	0	0	0	109.7	L191 L251 V260 D262 V403 V412 W413 I415	L191-L401 HydrophobicContact CD1-CD1 4.46Å; L251-L401 HydrophobicContact CB-CD2 4.41Å; L251-L401 HydrophobicContact CD1-CD2 3.93Å; V260-L401 HydrophobicContact CG1-CD1 3.53Å; V260-L401 HydrophobicContact CG1-CD2 4.46Å; V260-L401 HydrophobicContact CG1-CG 4Å; D262-L401 HydrophobicContact CB-CD1 4.36Å; L401-V403 HydrophobicContact CD2-CG2 4.18Å; L401-V403 HydrophobicContact CG-CG2 4.19Å; L401-V412 VanDerWaalsContact O-CA 3.31Å; L401-V412 WeakPolarHBondContact O-CA 3.49Å; L401-W413 PolarHBondContact N-O 3.35Å; L401-W413 PolarHBondContact O-N 3.37Å; L401-I415 HydrophobicContact CB-CD1 3.87Å; L401-I415 HydrophobicContact CB-CG1 4.17Å; L401-I415 HydrophobicContact CB-CG2 4.3Å; L401-I415 HydrophobicContact CD1-CD1 4.05Å; L401-I415 HydrophobicContact CD2-CD1 4.33Å; L401-I415 HydrophobicContact CG-CD1 4.3Å
402	F	98.8	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.8	173.5	-68.3	-103.5	0	0	0	109	V260 L261 C263 F359 F362 Y373 L377 L400 V412 L451 L455	V260-F402 CarbonylContact C-O 3.52Å; V260-F402 VanDerWaalsContact CA-O 3.24Å; V260-F402 WeakPolarHBondContact CA-O 3.12Å; L261-F402 HydrophobicContact CB-CB 4.11Å; L261-F402 HydrophobicContact CD2-CD2 3.8Å; L261-F402 HydrophobicContact CD2-CE2 4.38Å; L261-F402 HydrophobicContact CD2-CG 4.41Å; L261-F402 PolarHBondContact N-O 3.02Å; L261-F402 PolarHBondContact O-N 3.09Å; C263-F402 HydrophobicContact CB-CD2 4.39Å; C263-F402 HydrophobicContact CB-CE2 4.01Å; F359-F402 HydrophobicContact CE1-CD1 4.44Å; F359-F402 HydrophobicContact CE1-CE1 4.29Å; F359-F402 HydrophobicContact CE1-CZ 4.36Å; F359-F402 HydrophobicContact CZ-CE2 4.47Å; F359-F402 HydrophobicContact CZ-CZ 4.43Å; F362-F402 HydrophobicContact CE1-CB 4.04Å; F362-F402 HydrophobicContact CZ-CB 4.36Å; Y373-F402 AromaticContact CD1-CD1 3.67Å; Y373-F402 HydrophobicContact CD1-CD1 3.67Å; Y373-F402 HydrophobicContact CD1-CE1 4.27Å; Y373-F402 HydrophobicContact CD2-CD1 4.19Å; Y373-F402 HydrophobicContact CE1-CB 4.06Å; Y373-F402 AromaticContact CE1-CD1 3.7Å; Y373-F402 HydrophobicContact CE1-CD1 3.7Å; Y373-F402 HydrophobicContact CE1-CG 4.37Å; Y373-F402 HydrophobicContact CE2-CD1 4.21Å; Y373-F402 AromaticContact CG-CD1 3.92Å; Y373-F402 HydrophobicContact CG-CD1 3.92Å; Y373-F402 HydrophobicContact CG-CE1 4.27Å; Y373-F402 AromaticContact CZ-CD1 3.95Å; L377-F402 HydrophobicContact CD1-CE1 4.04Å; L377-F402 HydrophobicContact CD1-CZ 4.05Å; L377-F402 HydrophobicContact CD2-CE1 4.2Å; L377-F402 HydrophobicContact CD2-CZ 3.85Å; L377-F402 HydrophobicContact CG-CE1 4.33Å; L377-F402 HydrophobicContact CG-CZ 4.37Å; L400-F402 HydrophobicContact CB-CD2 4.41Å; L400-F402 HydrophobicContact CB-CE2 3.82Å; F402-V412 HydrophobicContact CD1-CG1 4.35Å; F402-V412 HydrophobicContact CD1-CG2 3.64Å; F402-V412 HydrophobicContact CD2-CG1 4.29Å; F402-V412 HydrophobicContact CE1-CG1 4.22Å; F402-V412 HydrophobicContact CE1-CG2 3.73Å; F402-V412 HydrophobicContact CE2-CG1 4.16Å; F402-V412 HydrophobicContact CG-CG1 4.37Å; F402-V412 HydrophobicContact CG-CG2 4.27Å; F402-V412 HydrophobicContact CZ-CG1 4.11Å; F402-V412 HydrophobicContact CZ-CG2 4.42Å; F402-L451 HydrophobicContact CE2-CD2 4.12Å; F402-L451 HydrophobicContact CZ-CD2 3.76Å; F402-L451 HydrophobicContact CZ-CG 4.44Å; F402-L455 HydrophobicContact CE1-CD2 4.31Å
403	V	98.6	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.3	175	-170.8	0	0	0	0	108.4	L252 F255 P258 C259 V260 Y373 L401 A410 G411 W413	L252-V403 HydrophobicContact CD2-CB 4.48Å; L252-V403 HydrophobicContact CD2-CG1 3.79Å; L252-V403 HydrophobicContact CD2-CG2 3.78Å; F255-V403 HydrophobicContact CB-CG1 4.49Å; F255-V403 HydrophobicContact CD1-CG1 3.84Å; F255-V403 HydrophobicContact CD2-CG1 3.79Å; F255-V403 HydrophobicContact CE1-CB 4.27Å; F255-V403 HydrophobicContact CE1-CG1 3.89Å; F255-V403 HydrophobicContact CE2-CB 4.22Å; F255-V403 HydrophobicContact CE2-CG1 3.86Å; F255-V403 HydrophobicContact CG-CG1 3.78Å; F255-V403 HydrophobicContact CZ-CB 4.03Å; F255-V403 HydrophobicContact CZ-CG1 3.91Å; P258-V403 HydrophobicContact CB-CG1 3.75Å; C259-V403 WeakPolarHBondContact O-CA 3.24Å; V260-V403 HydrophobicContact CG1-CG2 4.31Å; V260-V403 HydrophobicContact CG2-CG1 4.39Å; Y373-V403 PolarHBondContact OH-N 3.42Å; Y373-V403 PolarHBondContact OH-O 3.04Å; L401-V403 HydrophobicContact CD2-CG2 4.18Å; L401-V403 HydrophobicContact CG-CG2 4.19Å; V403-A410 CarbonylContact O-C 3.53Å; V403-A410 VanDerWaalsContact O-CA 3.26Å; V403-A410 WeakPolarHBondContact O-CA 3.46Å; V403-G411 PolarHBondContact N-O 3.32Å; V403-G411 PolarHBondContact O-N 3.49Å; V403-W413 HydrophobicContact CB-CZ3 4.07Å; V403-W413 HydrophobicContact CG2-CE3 4.43Å; V403-W413 HydrophobicContact CG2-CZ3 3.95Å
404	H	98.6	Very high	98.1	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.032	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	167.8	167.5	69	113.3	0	0	0	111.9	P258 C259 F362 V369 Y373 R409 A410	P258-H404 CarbonylContact C-O 3.5Å; P258-H404 VanDerWaalsContact CA-O 3.32Å; P258-H404 WeakPolarHBondContact CA-O 3.35Å; C259-H404 VanDerWaalsContact CB-CD2 3.45Å; C259-H404 WeakPolarHBondContact CB-CD2 3.49Å; C259-H404 WeakPolarHBondContact CB-NE2 3.31Å; C259-H404 PolarHBondContact N-O 2.79Å; C259-H404 PolarHBondContact O-N 3.25Å; F362-H404 AromaticContact CE1-CD2 3.63Å; F362-H404 AromaticContact CE1-NE2 3.65Å; F362-H404 AromaticContact CE2-NE2 3.65Å; F362-H404 AromaticContact CZ-CD2 3.4Å; F362-H404 WeakPolarHBondContact CZ-CD2 3.35Å; F362-H404 AromaticContact CZ-NE2 3.46Å; F362-H404 WeakPolarHBondContact CZ-NE2 3.41Å; F362-H404 PolarHBondContact O-CE1 3.21Å; F362-H404 PolarHBondContact O-NE2 3.29Å; V369-H404 HydrophobicContact CG1-CB 3.68Å; V369-H404 HydrophobicContact CG2-CB 4.04Å; Y373-H404 HydrophobicContact CE2-CB 4.44Å; Y373-H404 AromaticContact CZ-CD2 3.94Å; Y373-H404 VanDerWaalsContact OH-CB 3.28Å; Y373-H404 WeakPolarHBondContact OH-CB 3.32Å; Y373-H404 PolarHBondContact OH-CD2 2.97Å; Y373-H404 PolarHBondContact OH-N 2.98Å; H404-R409 CarbonylContact C-O 3.45Å; H404-R409 WeakPolarHBondContact CA-O 3.48Å; H404-R409 WeakPolarHBondContact CB-O 3.5Å; H404-A410 HydrophobicContact CB-CB 4.11Å
405	D	97.9	Very high	98.1	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.119	C	C	.	.			trans	-138.2	179.1	174.1	69.3	12.5	0	0	0	112.7	F255 D256 C407 H408 R409	F255-D405 WeakPolarHBondContact CA-OD2 3.41Å; F255-D405 HydrophobicContact CB-CB 4.31Å; F255-D405 HydrophobicContact CD1-CB 4.07Å; D256-D405 PolarHBondContact N-OD2 3.43Å; D256-D405 WeakPolarHBondContact O-CB 3.31Å; D405-C407 PolarHBondContact O-N 3.21Å; D405-C407 WeakPolarHBondContact OD1-CA 3.47Å; D405-C407 VanDerWaalsContact OD1-CB 3.31Å; D405-C407 WeakPolarHBondContact OD1-CB 3.29Å; D405-C407 PolarHBondContact OD1-N 2.91Å; D405-H408 PolarHBondContact O-N 3.45Å; D405-H408 VanDerWaalsContact O-N 3.13Å; D405-H408 PolarHBondContact OD1-N 3.16Å; D405-R409 PolarHBondContact N-O 3.18Å; D405-R409 WeakPolarHBondContact OD1-CB 3.37Å; D405-R409 PolarHBondContact OD1-N 3.12Å; D405-R409 VanDerWaalsContact OD1-N 3.09Å; D405-R409 IonicContact OD1-NE 3.63Å; D405-R409 IonicContact OD2-CZ 3.16Å; D405-R409 IonicContact OD2-NE 2.81Å; D405-R409 PolarHBondContact OD2-NE 3.16Å; D405-R409 IonicContact OD2-NH2 2.72Å; D405-R409 PolarHBondContact OD2-NH2 3.32Å
406	H	95.9	Very high	98	Very high	117 Å²	117	25.1 Å²	25.1	54%	0.542	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.5	179	69.2	80.2	0	0	0	114	D256 H408	D256-H406 PolarHBondContact O-CD2 3.23Å; D256-H406 PolarHBondContact O-NE2 2.85Å; D256-H406 IonicContact OD2-CD2 2.65Å; D256-H406 IonicContact OD2-CE1 3.83Å; D256-H406 PolarHBondContact OD2-CE1 3.12Å; D256-H406 IonicContact OD2-NE2 2.83Å; D256-H406 PolarHBondContact OD2-NE2 3.24Å; H406-H408 PolarHBondContact O-N 3.12Å
407	C	97.1	Very high	98	Very high	60 Å²	60	25.3 Å²	25.3	41%	0.405	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	14.2	173.9	-64.1	0	0	0	0	112.1	D405 R409	D405-C407 PolarHBondContact O-N 3.21Å; D405-C407 WeakPolarHBondContact OD1-CA 3.47Å; D405-C407 VanDerWaalsContact OD1-CB 3.31Å; D405-C407 WeakPolarHBondContact OD1-CB 3.29Å; D405-C407 PolarHBondContact OD1-N 2.91Å; C407-R409 PolarHBondContact O-N 3.4Å; C407-R409 VanDerWaalsContact O-N 3.09Å
408	H	97.8	Very high	98	Very high	85 Å²	85	26.3 Å²	26.3	39%	0.394	14%	0.14	S	C	.	.			trans	60.8	13.3	-176.6	-40.2	-67.7	0	0	0	113.9	D366 E368 V369 R372 D405 H406 A410	D366-H408 IonicContact OD1-ND1 3.47Å; D366-H408 PolarHBondContact OD1-ND1 3Å; D366-H408 IonicContact OD2-CE1 3.19Å; D366-H408 PolarHBondContact OD2-CE1 3.17Å; D366-H408 IonicContact OD2-CG 3.02Å; D366-H408 IonicContact OD2-ND1 2.8Å; D366-H408 PolarHBondContact OD2-ND1 3.1Å; E368-H408 HydrophobicContact CB-CB 4.23Å; E368-H408 HydrophobicContact CG-CB 3.76Å; V369-H408 HydrophobicContact CG2-CB 4.31Å; R372-H408 VanDerWaalsContact CD-O 3.26Å; R372-H408 WeakPolarHBondContact CD-O 3.1Å; R372-H408 VanDerWaalsContact CZ-O 3.25Å; R372-H408 PolarHBondContact NE-O 2.79Å; R372-H408 PolarHBondContact NH1-O 3.11Å; D405-H408 PolarHBondContact O-N 3.45Å; D405-H408 VanDerWaalsContact O-N 3.13Å; D405-H408 PolarHBondContact OD1-N 3.16Å; H406-H408 PolarHBondContact O-N 3.12Å; H408-A410 PolarHBondContact O-N 3.4Å
409	R	98.3	Very high	97.9	Very high	94 Å²	94	28 Å²	28	36%	0.355	15%	0.147	S	C	.	.			trans	-67.5	136.7	170.5	-67.6	179.4	-75.4	-165	3.7	107	G254 F255 H404 D405 C407	G254-R409 PolarHBondContact O-NH1 3.32Å; G254-R409 PolarHBondContact O-NH2 3.29Å; G254-R409 VanDerWaalsContact O-NH2 3.16Å; F255-R409 HydrophobicContact CD1-CB 3.92Å; F255-R409 HydrophobicContact CE1-CB 3.71Å; H404-R409 CarbonylContact C-O 3.45Å; H404-R409 WeakPolarHBondContact CA-O 3.48Å; H404-R409 WeakPolarHBondContact CB-O 3.5Å; D405-R409 PolarHBondContact N-O 3.18Å; D405-R409 WeakPolarHBondContact OD1-CB 3.37Å; D405-R409 PolarHBondContact OD1-N 3.12Å; D405-R409 VanDerWaalsContact OD1-N 3.09Å; D405-R409 IonicContact OD1-NE 3.63Å; D405-R409 IonicContact OD2-CZ 3.16Å; D405-R409 IonicContact OD2-NE 2.81Å; D405-R409 PolarHBondContact OD2-NE 3.16Å; D405-R409 IonicContact OD2-NH2 2.72Å; D405-R409 PolarHBondContact OD2-NH2 3.32Å; C407-R409 PolarHBondContact O-N 3.4Å; C407-R409 VanDerWaalsContact O-N 3.09Å
410	A	98.6	Very high	97.9	Very high	25 Å²	25	28 Å²	28	21%	0.207	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.5	-178.6	0	0	0	0	0	109.1	V369 R372 Y373 V403 H404 H408	V369-A410 HydrophobicContact CG1-CB 4.19Å; R372-A410 HydrophobicContact CB-CB 3.74Å; Y373-A410 HydrophobicContact CD1-CB 4.02Å; Y373-A410 HydrophobicContact CE1-CB 3.85Å; V403-A410 CarbonylContact O-C 3.53Å; V403-A410 VanDerWaalsContact O-CA 3.26Å; V403-A410 WeakPolarHBondContact O-CA 3.46Å; H404-A410 HydrophobicContact CB-CB 4.11Å; H408-A410 PolarHBondContact O-N 3.4Å
411	G	98.5	Very high	97.9	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.4	178.2	0	0	0	0	0	111.6	Y373 V403	Y373-G411 WeakPolarHBondContact CE1-O 3.36Å; V403-G411 PolarHBondContact N-O 3.32Å; V403-G411 PolarHBondContact O-N 3.49Å
412	V	98.9	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.8	176.3	-166.3	0	0	0	0	108.3	Y373 R376 L377 I380 L400 L401 F402	Y373-V412 HydrophobicContact CD1-CG2 3.53Å; Y373-V412 HydrophobicContact CE1-CG2 4Å; Y373-V412 HydrophobicContact CG-CG2 4.5Å; R376-V412 HydrophobicContact CB-CG2 4.32Å; R376-V412 HydrophobicContact CG-CB 3.75Å; R376-V412 HydrophobicContact CG-CG2 3.88Å; R376-V412 PolarHBondContact NE-O 3.02Å; R376-V412 PolarHBondContact NH2-O 2.94Å; L377-V412 HydrophobicContact CD2-CG1 4.04Å; L377-V412 HydrophobicContact CD2-CG2 4.43Å; I380-V412 HydrophobicContact CD1-CB 3.92Å; I380-V412 HydrophobicContact CD1-CG1 4.07Å; L400-V412 HydrophobicContact CB-CG1 3.96Å; L400-V412 HydrophobicContact CD2-CG1 3.99Å; L400-V412 HydrophobicContact CG-CG1 4.41Å; L401-V412 VanDerWaalsContact O-CA 3.31Å; L401-V412 WeakPolarHBondContact O-CA 3.49Å; F402-V412 HydrophobicContact CD1-CG1 4.35Å; F402-V412 HydrophobicContact CD1-CG2 3.64Å; F402-V412 HydrophobicContact CD2-CG1 4.29Å; F402-V412 HydrophobicContact CE1-CG1 4.22Å; F402-V412 HydrophobicContact CE1-CG2 3.73Å; F402-V412 HydrophobicContact CE2-CG1 4.16Å; F402-V412 HydrophobicContact CG-CG1 4.37Å; F402-V412 HydrophobicContact CG-CG2 4.27Å; F402-V412 HydrophobicContact CZ-CG1 4.11Å; F402-V412 HydrophobicContact CZ-CG2 4.42Å
413	W	98.9	Very high	97.8	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.1	177.9	-61.6	-96.7	0	0	0	111.2	C230 L251 F255 L400 L401 V403	C230-W413 CarbonylContact O-C 3.54Å; C230-W413 VanDerWaalsContact O-CA 3.26Å; C230-W413 WeakPolarHBondContact O-CA 3.35Å; L251-W413 HydrophobicContact CB-CE3 4.4Å; L251-W413 HydrophobicContact CD1-CB 3.71Å; L251-W413 HydrophobicContact CD1-CD2 4.06Å; L251-W413 HydrophobicContact CD1-CE3 4.18Å; L251-W413 HydrophobicContact CD1-CG 3.87Å; L251-W413 HydrophobicContact CD2-CB 4.47Å; L251-W413 HydrophobicContact CD2-CD2 3.75Å; L251-W413 HydrophobicContact CD2-CE3 4.32Å; L251-W413 HydrophobicContact CD2-CG 3.8Å; L251-W413 HydrophobicContact CD2-CZ2 4.42Å; L251-W413 HydrophobicContact CG-CD2 4.37Å; L251-W413 HydrophobicContact CG-CG 4.46Å; F255-W413 AromaticContact CE2-CH2 3.9Å; F255-W413 HydrophobicContact CE2-CH2 3.9Å; F255-W413 HydrophobicContact CE2-CZ3 4.41Å; F255-W413 AromaticContact CZ-CH2 3.92Å; F255-W413 HydrophobicContact CZ-CH2 3.92Å; F255-W413 HydrophobicContact CZ-CZ3 4.37Å; L400-W413 CarbonylContact C-O 3.51Å; L400-W413 WeakPolarHBondContact CA-O 3.38Å; L401-W413 PolarHBondContact N-O 3.35Å; L401-W413 PolarHBondContact O-N 3.37Å; V403-W413 HydrophobicContact CB-CZ3 4.07Å; V403-W413 HydrophobicContact CG2-CE3 4.43Å; V403-W413 HydrophobicContact CG2-CZ3 3.95Å
414	L	98.8	Very high	97.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.6	167.6	-64.4	74.5	0	0	0	108.7	C230 V231 P232 I380 L384 S399 L400 F417 Y444	C230-L414 HydrophobicContact CB-CD1 3.94Å; C230-L414 WeakPolarHBondContact O-CD1 3.28Å; C230-L414 PolarHBondContact O-N 3.31Å; V231-L414 HydrophobicContact CG1-CB 4.15Å; P232-L414 VanDerWaalsContact CD-O 3.26Å; P232-L414 WeakPolarHBondContact CD-O 3.47Å; I380-L414 HydrophobicContact CD1-CD1 4.4Å; I380-L414 HydrophobicContact CG2-CD1 3.84Å; L384-L414 HydrophobicContact CD2-CD2 4Å; S399-L414 CarbonylContact O-C 3.47Å; S399-L414 WeakPolarHBondContact O-CA 3.43Å; L400-L414 HydrophobicContact CD2-CD1 3.75Å; L400-L414 HydrophobicContact CD2-CG 3.75Å; L414-F417 HydrophobicContact CB-CE1 4.2Å; L414-F417 HydrophobicContact CB-CZ 3.75Å; L414-Y444 HydrophobicContact CD2-CE1 4.45Å; L414-Y444 WeakPolarHBondContact CD2-OH 3.36Å; L414-Y444 VanDerWaalsContact CG-OH 3.3Å; L414-Y444 WeakPolarHBondContact CG-OH 3.39Å
415	I	98.2	Very high	97.3	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	170.7	179.1	61.3	162.9	0	0	0	110.8	P232 L251 S398 S399 L401	P232-I415 HydrophobicContact CG-CG2 4.38Å; L251-I415 HydrophobicContact CD1-CG2 3.84Å; S398-I415 VanDerWaalsContact CA-O 3.27Å; S398-I415 WeakPolarHBondContact CA-O 3.37Å; S398-I415 WeakPolarHBondContact CB-O 3.39Å; S399-I415 PolarHBondContact N-O 3.49Å; S399-I415 PolarHBondContact O-N 3.03Å; L401-I415 HydrophobicContact CB-CD1 3.87Å; L401-I415 HydrophobicContact CB-CG1 4.17Å; L401-I415 HydrophobicContact CB-CG2 4.3Å; L401-I415 HydrophobicContact CD1-CD1 4.05Å; L401-I415 HydrophobicContact CD2-CD1 4.33Å; L401-I415 HydrophobicContact CG-CD1 4.3Å
416	D	96.4	Very high	97	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.203	28%	0.276	C	S	.	.			trans	63.8	66.8	171.9	-69.2	-4.2	0	0	0	115.1	K209 E215 S398 G418	K209-D416 IonicContact NZ-OD1 2.71Å; K209-D416 PolarHBondContact NZ-OD1 2.72Å; E215-D416 WeakPolarHBondContact OE1-CA 3.28Å; S398-D416 VanDerWaalsContact CA-O 3.25Å; S398-D416 WeakPolarHBondContact CA-O 3.45Å; D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 3.14Å
417	F	97.6	Very high	97.1	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	27%	0.273	C	S	.	.			trans	-87.5	16.2	-179.9	-54.3	-76.9	0	0	0	114.1	E215 C218 L219 L222 V231 L414 K419 T420	E215-F417 HydrophobicContact CG-CB 4.18Å; E215-F417 PolarHBondContact OE1-N 3.07Å; C218-F417 HydrophobicContact CB-CB 3.56Å; C218-F417 HydrophobicContact CB-CG 4.08Å; L219-F417 HydrophobicContact CD2-CD2 3.95Å; L219-F417 HydrophobicContact CD2-CE2 4.03Å; L219-F417 HydrophobicContact CG-CD2 4.28Å; L222-F417 HydrophobicContact CD1-CD1 4.14Å; L222-F417 HydrophobicContact CD1-CD2 3.93Å; L222-F417 HydrophobicContact CD1-CE1 3.87Å; L222-F417 HydrophobicContact CD1-CE2 3.65Å; L222-F417 HydrophobicContact CD1-CG 4.17Å; L222-F417 HydrophobicContact CD1-CZ 3.62Å; V231-F417 HydrophobicContact CB-CE2 4.37Å; V231-F417 HydrophobicContact CB-CZ 4.39Å; V231-F417 HydrophobicContact CG1-CE2 4.1Å; V231-F417 HydrophobicContact CG1-CZ 3.66Å; L414-F417 HydrophobicContact CB-CE1 4.2Å; L414-F417 HydrophobicContact CB-CZ 3.75Å; F417-K419 PolarHBondContact O-N 2.88Å; F417-K419 VanDerWaalsContact O-N 3.1Å; F417-T420 PolarHBondContact O-N 2.92Å
418	G	95.7	Very high	97.1	Very high	32 Å²	32	48 Å²	48	33%	0.33	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.5	-175	0	0	0	0	0	115.2	P214 D416	P214-G418 WeakPolarHBondContact CB-O 3.45Å; D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 3.14Å
419	K	95.9	Very high	97.2	Very high	36 Å²	36	44.5 Å²	44.5	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	14.6	172.5	-66.4	-171	176.6	-164.5	0	112.9	S143 L271 E274 I396 F417	S143-K419 VanDerWaalsContact OG-CE 3.3Å; S143-K419 WeakPolarHBondContact OG-CE 3.35Å; L271-K419 HydrophobicContact CD1-CB 4.33Å; L271-K419 WeakPolarHBondContact CD2-O 3.45Å; L271-K419 HydrophobicContact CG-CB 4.42Å; E274-K419 VanDerWaalsContact CD-NZ 3.26Å; E274-K419 IonicContact OE1-NZ 3.02Å; E274-K419 PolarHBondContact OE1-NZ 3.31Å; E274-K419 IonicContact OE2-NZ 2.86Å; E274-K419 PolarHBondContact OE2-NZ 3.23Å; I396-K419 HydrophobicContact CB-CB 4.45Å; I396-K419 HydrophobicContact CG2-CB 4.34Å; I396-K419 HydrophobicContact CG2-CD 4.41Å; I396-K419 CarbonylContact O-C 3.44Å; I396-K419 WeakPolarHBondContact O-CB 3.34Å; F417-K419 PolarHBondContact O-N 2.88Å; F417-K419 VanDerWaalsContact O-N 3.1Å
420	T	98.1	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124	172.3	-60.7	0	0	0	0	108.5	C218 F389 H393 E394 V395 F417	C218-T420 PolarHBondContact SG-O 2.93Å; C218-T420 VanDerWaalsContact SG-O 3.35Å; F389-T420 HydrophobicContact CE1-CG2 4.13Å; F389-T420 HydrophobicContact CZ-CG2 3.81Å; H393-T420 HydrophobicContact CB-CG2 3.9Å; E394-T420 WeakPolarHBondContact O-CA 3.44Å; V395-T420 HydrophobicContact CB-CG2 4.43Å; V395-T420 HydrophobicContact CG1-CG2 4.39Å; V395-T420 HydrophobicContact CG2-CG2 4.04Å; F417-T420 PolarHBondContact O-N 2.92Å
421	T	97.7	Very high	97.2	Very high	27 Å²	27	42 Å²	42	17%	0.166	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.5	-173.1	63	0	0	0	0	111.2	L271 H393 E394 R440	L271-T421 HydrophobicContact CD1-CG2 4.08Å; L271-T421 HydrophobicContact CD2-CG2 4.22Å; H393-T421 CarbonylContact C-O 3.19Å; H393-T421 VanDerWaalsContact CA-O 3.24Å; H393-T421 WeakPolarHBondContact CA-O 3.41Å; H393-T421 WeakPolarHBondContact CB-O 3.43Å; E394-T421 PolarHBondContact N-O 3.14Å; E394-T421 PolarHBondContact O-N 2.97Å; T421-R440 PolarHBondContact OG1-NH2 3.01Å
422	P	98.1	Very high	97.2	Very high	62 Å²	62	45.7 Å²	45.7	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.6	175.8	28.3	-33.8	0	0	0	111.3	Y217	Y217-P422 HydrophobicContact CE1-CG 4.28Å
423	L	97.4	Very high	97.1	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.089	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.2	161.5	169.4	-59.9	169.3	0	0	0	110.6	R392 E394 Q427 L429 R440	R392-L423 WeakPolarHBondContact O-CG 3.23Å; R392-L423 PolarHBondContact O-N 3.01Å; E394-L423 HydrophobicContact CB-CD2 4.2Å; L423-Q427 HydrophobicContact CB-CB 4.13Å; L423-L429 HydrophobicContact CD1-CB 4.47Å; L423-L429 HydrophobicContact CD1-CD1 4.29Å; L423-L429 HydrophobicContact CD1-CD2 4.42Å; L423-L429 HydrophobicContact CD1-CG 3.68Å; L423-L429 HydrophobicContact CD2-CD1 4.09Å; L423-L429 HydrophobicContact CD2-CD2 4.42Å; L423-L429 HydrophobicContact CD2-CG 4.12Å; L423-L429 HydrophobicContact CG-CG 4.48Å; L423-R440 HydrophobicContact CD2-CB 4.31Å
424	P	95.7	Very high	97.1	Very high	62 Å²	62	53.6 Å²	53.6	40%	0.403	31%	0.306	S	S	.	.	S	Bend	trans	-57.9	153.9	169.1	-21.2	34.3	0	0	0	111.7	G426 Q427	P424-G426 PolarHBondContact O-N 3.41Å; P424-Q427 HydrophobicContact CB-CG 4.4Å; P424-Q427 WeakPolarHBondContact O-CB 3.36Å; P424-Q427 PolarHBondContact O-N 3.3Å
425	D	92.7	Very high	97.1	Very high	171 Å²	171	56.5 Å²	56.5	91%	0.914	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.8	-175.9	-74.6	-23.6	0	0	0	112.6	Q427	D425-Q427 VanDerWaalsContact C-N 3.27Å; D425-Q427 PolarHBondContact O-N 2.72Å
426	G	91.3	Very high	96.9	Very high	85 Å²	85	61.9 Å²	61.9	88%	0.876	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-7.9	178.7	0	0	0	0	0	115.5	P424	P424-G426 PolarHBondContact O-N 3.41Å
427	Q	96.9	Very high	96.8	Very high	105 Å²	105	64.6 Å²	64.6	49%	0.491	35%	0.354	S	S	.	.			trans	-82.6	149	173.9	-64.4	-170.8	9.2	0	0	111.9	L423 P424 D425	L423-Q427 HydrophobicContact CB-CB 4.13Å; P424-Q427 HydrophobicContact CB-CG 4.4Å; P424-Q427 WeakPolarHBondContact O-CB 3.36Å; P424-Q427 PolarHBondContact O-N 3.3Å; D425-Q427 VanDerWaalsContact C-N 3.27Å; D425-Q427 PolarHBondContact O-N 2.72Å
428	I	98.4	Very high	96.6	Very high	97 Å²	97	67.3 Å²	67.3	50%	0.497	38%	0.382	S	S	.	.			trans	-139.4	153.2	174.9	62.9	173.3	0	0	0	111	R391	R391-I428 HydrophobicContact CG-CG2 4.24Å; R391-I428 CarbonylContact O-C 3.5Å; R391-I428 WeakPolarHBondContact O-CA 3.29Å; R391-I428 WeakPolarHBondContact O-CB 3.37Å
429	L	98.6	Very high	96.7	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.063	38%	0.376	C	S	.	.			trans	-106.3	152.2	169.9	-62.5	178.2	0	0	0	110.3	R391 E394 L423 N439 R440 E441	R391-L429 PolarHBondContact O-N 2.88Å; E394-L429 HydrophobicContact CB-CD1 4.22Å; L423-L429 HydrophobicContact CD1-CB 4.47Å; L423-L429 HydrophobicContact CD1-CD1 4.29Å; L423-L429 HydrophobicContact CD1-CD2 4.42Å; L423-L429 HydrophobicContact CD1-CG 3.68Å; L423-L429 HydrophobicContact CD2-CD1 4.09Å; L423-L429 HydrophobicContact CD2-CD2 4.42Å; L423-L429 HydrophobicContact CD2-CG 4.12Å; L423-L429 HydrophobicContact CG-CG 4.48Å; L429-N439 WeakPolarHBondContact CD2-O 3.46Å; L429-R440 WeakPolarHBondContact CD1-O 3.41Å; L429-R440 HydrophobicContact CD2-CB 4.46Å; L429-E441 HydrophobicContact CD2-CG 3.92Å
430	D	98.2	Very high	96.8	Very high	63 Å²	63	68.4 Å²	68.4	34%	0.337	38%	0.378	S	S	.	.			trans	-95.7	-11.3	168	66.6	41.4	0	0	0	112.9	R432 R433 E441	D430-R432 PolarHBondContact O-N 3.41Å; D430-R432 VanDerWaalsContact O-N 3.14Å; D430-R432 WeakPolarHBondContact OD1-CA 3.49Å; D430-R432 PolarHBondContact OD1-N 3.05Å; D430-R433 PolarHBondContact OD1-N 3.49Å; D430-R433 IonicContact OD1-NE 2.68Å; D430-R433 IonicContact OD2-CZ 3.45Å; D430-R433 VanDerWaalsContact OD2-CZ 3.29Å; D430-R433 IonicContact OD2-NE 2.69Å; D430-R433 PolarHBondContact OD2-NE 2.96Å; D430-R433 IonicContact OD2-NH2 3.51Å; D430-R433 PolarHBondContact OD2-NH2 2.88Å; D430-E441 PolarHBondContact N-OE1 3.11Å
431	H	98.8	Very high	96.8	Very high	3 Å²	3	68.3 Å²	68.3	1%	0.014	38%	0.378	C	S	.	.	S	Bend	trans	61.7	16.1	177.1	-53.4	-83.3	0	0	0	114.2	F390 H393 E441 D442 G443 Y444 L445 L446	F390-H431 AromaticContact CD1-CD2 3.5Å; F390-H431 AromaticContact CD1-NE2 3.55Å; F390-H431 HydrophobicContact CE1-CB 3.83Å; F390-H431 AromaticContact CE1-CD2 3.15Å; F390-H431 WeakPolarHBondContact CE1-CD2 3.42Å; F390-H431 AromaticContact CE1-CE1 3.98Å; F390-H431 AromaticContact CE1-CG 3.37Å; F390-H431 AromaticContact CE1-ND1 3.91Å; F390-H431 AromaticContact CE1-NE2 3.58Å; F390-H431 AromaticContact CG-NE2 3.95Å; F390-H431 HydrophobicContact CZ-CB 3.91Å; F390-H431 AromaticContact CZ-CD2 3.76Å; F390-H431 AromaticContact CZ-CE1 3.93Å; F390-H431 AromaticContact CZ-CG 3.51Å; F390-H431 AromaticContact CZ-ND1 3.67Å; F390-H431 PolarHBondContact O-CE1 3.39Å; F390-H431 PolarHBondContact O-NE2 3.34Å; H393-H431 PolarHBondContact O-CE1 2.81Å; H393-H431 VanDerWaalsContact O-CE1 3.25Å; H431-E441 WeakPolarHBondContact CA-OE2 3.36Å; H431-E441 PolarHBondContact N-OE2 3.08Å; H431-D442 IonicContact CE1-OD2 2.92Å; H431-D442 PolarHBondContact CE1-OD2 3.1Å; H431-D442 IonicContact CG-OD1 2.68Å; H431-D442 VanDerWaalsContact ND1-CG 3.3Å; H431-D442 IonicContact ND1-OD1 3.52Å; H431-D442 PolarHBondContact ND1-OD1 2.88Å; H431-D442 IonicContact ND1-OD2 3.17Å; H431-D442 PolarHBondContact ND1-OD2 3.1Å; H431-G443 CarbonylContact O-C 3.48Å; H431-G443 WeakPolarHBondContact O-CA 3.33Å; H431-Y444 PolarHBondContact O-N 3.43Å; H431-Y444 VanDerWaalsContact O-N 3.14Å; H431-L445 HydrophobicContact CB-CB 4.04Å; H431-L445 HydrophobicContact CB-CD1 4.14Å; H431-L445 HydrophobicContact CB-CG 3.89Å; H431-L445 WeakPolarHBondContact O-CA 3.36Å; H431-L445 WeakPolarHBondContact O-CB 3.38Å; H431-L445 PolarHBondContact O-N 3.41Å; H431-L446 PolarHBondContact O-N 2.89Å
432	R	98.6	Very high	96.8	Very high	85 Å²	85	67 Å²	67	32%	0.321	37%	0.37	S	S	.	.			trans	-126.8	-38.9	-177.1	-71.6	-170.7	166.1	104.1	-3.3	113	E385 D430 L445 D449	E385-R432 IonicContact OE1-CZ 3.74Å; E385-R432 VanDerWaalsContact OE1-CZ 3.24Å; E385-R432 IonicContact OE1-NH1 3.56Å; E385-R432 PolarHBondContact OE1-NH1 2.91Å; E385-R432 IonicContact OE1-NH2 3.69Å; E385-R432 PolarHBondContact OE1-NH2 3.48Å; D430-R432 PolarHBondContact O-N 3.41Å; D430-R432 VanDerWaalsContact O-N 3.14Å; D430-R432 WeakPolarHBondContact OD1-CA 3.49Å; D430-R432 PolarHBondContact OD1-N 3.05Å; R432-L445 HydrophobicContact CG-CB 3.57Å; R432-D449 IonicContact CZ-OD2 3.55Å; R432-D449 IonicContact NE-OD2 3.61Å; R432-D449 PolarHBondContact NE-OD2 3.32Å; R432-D449 IonicContact NH2-OD1 2.89Å; R432-D449 IonicContact NH2-OD2 3.27Å; R432-D449 PolarHBondContact NH2-OD2 3.29Å; R432-D449 VanDerWaalsContact NH2-OD2 3.14Å
433	R	98.2	Very high	96.8	Very high	103 Å²	103	64.1 Å²	64.1	39%	0.389	35%	0.351	S	S	.	.	S	Bend	trans	-64.3	153.3	-177.6	76.9	178.2	86.5	127.2	10.9	110	D430 W435 E441	D430-R433 PolarHBondContact OD1-N 3.49Å; D430-R433 IonicContact OD1-NE 2.68Å; D430-R433 IonicContact OD2-CZ 3.45Å; D430-R433 VanDerWaalsContact OD2-CZ 3.29Å; D430-R433 IonicContact OD2-NE 2.69Å; D430-R433 PolarHBondContact OD2-NE 2.96Å; D430-R433 IonicContact OD2-NH2 3.51Å; D430-R433 PolarHBondContact OD2-NH2 2.88Å; R433-W435 PolarHBondContact O-N 2.83Å; R433-E441 HydrophobicContact CG-CB 4.27Å; R433-E441 HydrophobicContact CG-CG 3.42Å; R433-E441 VanDerWaalsContact CG-CG 3.42Å; R433-E441 IonicContact CZ-OE1 3.6Å; R433-E441 IonicContact NE-OE1 3.29Å; R433-E441 PolarHBondContact NE-OE1 2.9Å; R433-E441 IonicContact NH1-OE1 2.85Å; R433-E441 PolarHBondContact NH1-OE1 3.04Å; R433-E441 IonicContact NH2-OE1 3.14Å; R433-E441 PolarHBondContact NH2-OE1 3.46Å
434	P	98.1	Very high	96.9	Very high	98 Å²	98	63.3 Å²	63.3	64%	0.636	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-56.3	140.7	176.9	-25.5	35.4	0	0	0	112.2	N439	P434-N439 PolarHBondContact O-ND2 2.89Å
435	W	97.8	Very high	97	Very high	64 Å²	64	60.6 Å²	60.6	24%	0.242	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-70.2	132.3	170.6	173.1	68.9	0	0	0	110.3	V267 E272 L275 R433 E437 E441	V267-W435 HydrophobicContact CG2-CB 4.13Å; E272-W435 HydrophobicContact CG-CZ2 4.48Å; E272-W435 PolarHBondContact OE1-NE1 3.01Å; L275-W435 HydrophobicContact CD2-CH2 4.4Å; R433-W435 PolarHBondContact O-N 2.83Å; W435-E437 HydrophobicContact CH2-CB 4.47Å; W435-E437 HydrophobicContact CZ2-CB 4.1Å; W435-E441 HydrophobicContact CB-CB 4.48Å; W435-E441 WeakPolarHBondContact CB-O 3.38Å
436	E	95.8	Very high	97.3	Very high	136 Å²	136	55.3 Å²	55.3	64%	0.636	30%	0.3	S	S	*	.			trans	-135.2	135.1	170.9	-63.8	178	-176.3	0	0	106.6	G438 N439	E436-G438 PolarHBondContact O-N 3.49Å; E436-G438 VanDerWaalsContact O-N 3.11Å; E436-N439 PolarHBondContact N-ND2 3.33Å; E436-N439 VanDerWaalsContact N-ND2 3.14Å; E436-N439 PolarHBondContact N-OD1 3.2Å; E436-N439 VanDerWaalsContact N-OD1 3.14Å; E436-N439 WeakPolarHBondContact O-CB 3.28Å; E436-N439 PolarHBondContact O-N 3.06Å; E436-N439 PolarHBondContact O-OD1 2.98Å
437	E	93.6	Very high	97.7	Very high	95 Å²	95	51.2 Å²	51.2	44%	0.444	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	121.8	-176.5	-172.7	179.3	167.1	0	0	111.3	L275 R279 W435	L275-E437 HydrophobicContact CD2-CG 4.31Å; R279-E437 IonicContact CZ-OE1 2.71Å; R279-E437 VanDerWaalsContact CZ-OE1 3.31Å; R279-E437 IonicContact CZ-OE2 3.56Å; R279-E437 IonicContact NH1-OE1 3.41Å; R279-E437 PolarHBondContact NH1-OE1 3.23Å; R279-E437 IonicContact NH1-OE2 3.16Å; R279-E437 PolarHBondContact NH1-OE2 3.32Å; R279-E437 IonicContact NH2-OE1 3.98Å; R279-E437 PolarHBondContact NH2-OE1 3.45Å; R279-E437 IonicContact NH2-OE2 3.88Å; R279-E437 PolarHBondContact NH2-OE2 3.2Å; W435-E437 HydrophobicContact CH2-CB 4.47Å; W435-E437 HydrophobicContact CZ2-CB 4.1Å
438	G	94.2	Very high	97.8	Very high	59 Å²	59	46.2 Å²	46.2	61%	0.608	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.1	-17.2	-177.3	0	0	0	0	0	114.1	E272 E436	E272-G438 PolarHBondContact OE1-N 3.32Å; E272-G438 WeakPolarHBondContact OE2-CA 3.29Å; E272-G438 PolarHBondContact OE2-N 3.02Å; E436-G438 PolarHBondContact O-N 3.49Å; E436-G438 VanDerWaalsContact O-N 3.11Å
439	N	96.6	Very high	97.8	Very high	39 Å²	39	43.7 Å²	43.7	21%	0.209	22%	0.222	C	C	.	.	S	Bend	trans	-87.1	-13	175.6	84.6	4.2	0	0	0	113.4	L429 P434 E436 E441	L429-N439 WeakPolarHBondContact CD2-O 3.46Å; P434-N439 PolarHBondContact O-ND2 2.89Å; E436-N439 PolarHBondContact N-ND2 3.33Å; E436-N439 VanDerWaalsContact N-ND2 3.14Å; E436-N439 PolarHBondContact N-OD1 3.2Å; E436-N439 VanDerWaalsContact N-OD1 3.14Å; E436-N439 WeakPolarHBondContact O-CB 3.28Å; E436-N439 PolarHBondContact O-N 3.06Å; E436-N439 PolarHBondContact O-OD1 2.98Å; N439-E441 PolarHBondContact O-N 3.39Å; N439-E441 WeakPolarHBondContact OD1-CB 3.44Å; N439-E441 PolarHBondContact OD1-N 3.12Å
440	R	97.3	Very high	97.8	Very high	52 Å²	52	45.4 Å²	45.4	20%	0.196	23%	0.232	C	C	.	.			trans	58.4	9.6	178	-58.7	-173.8	70.2	-177.2	-1.2	116.4	R268 E272 E394 T421 L423 L429	R268-R440 PolarHBondContact NH2-O 3.31Å; E272-R440 WeakPolarHBondContact OE1-CA 3.25Å; E272-R440 PolarHBondContact OE1-N 3.09Å; E272-R440 WeakPolarHBondContact OE2-CG 3.23Å; E394-R440 IonicContact OE2-CZ 3.75Å; E394-R440 IonicContact OE2-NE 3.82Å; E394-R440 PolarHBondContact OE2-NE 3.28Å; E394-R440 IonicContact OE2-NH2 2.7Å; E394-R440 PolarHBondContact OE2-NH2 3.35Å; T421-R440 PolarHBondContact OG1-NH2 3.01Å; L423-R440 HydrophobicContact CD2-CB 4.31Å; L429-R440 WeakPolarHBondContact CD1-O 3.41Å; L429-R440 HydrophobicContact CD2-CB 4.46Å
441	E	98.4	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.			trans	-61.8	143.8	178.9	-76.2	-78.1	178.2	0	0	111.6	R268 L429 D430 H431 R433 W435 N439	R268-E441 PolarHBondContact NH2-O 3.3Å; L429-E441 HydrophobicContact CD2-CG 3.92Å; D430-E441 PolarHBondContact N-OE1 3.11Å; H431-E441 WeakPolarHBondContact CA-OE2 3.36Å; H431-E441 PolarHBondContact N-OE2 3.08Å; R433-E441 HydrophobicContact CG-CB 4.27Å; R433-E441 HydrophobicContact CG-CG 3.42Å; R433-E441 VanDerWaalsContact CG-CG 3.42Å; R433-E441 IonicContact CZ-OE1 3.6Å; R433-E441 IonicContact NE-OE1 3.29Å; R433-E441 PolarHBondContact NE-OE1 2.9Å; R433-E441 IonicContact NH1-OE1 2.85Å; R433-E441 PolarHBondContact NH1-OE1 3.04Å; R433-E441 IonicContact NH2-OE1 3.14Å; R433-E441 PolarHBondContact NH2-OE1 3.46Å; W435-E441 HydrophobicContact CB-CB 4.48Å; W435-E441 WeakPolarHBondContact CB-O 3.38Å; N439-E441 PolarHBondContact O-N 3.39Å; N439-E441 WeakPolarHBondContact OD1-CB 3.44Å; N439-E441 PolarHBondContact OD1-N 3.12Å
442	D	98.3	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.			trans	-110.1	-17.2	-176.4	53.4	32.9	0	0	0	112.5	G266 V267 V395 I396 H431 Y444	G266-D442 CarbonylContact C-O 3.03Å; G266-D442 WeakPolarHBondContact CA-O 3.4Å; V267-D442 WeakPolarHBondContact CG2-O 3.27Å; V267-D442 PolarHBondContact N-O 3.18Å; V395-D442 PolarHBondContact N-OD2 3.31Å; I396-D442 HydrophobicContact CD1-CB 3.76Å; I396-D442 HydrophobicContact CG1-CB 4.47Å; H431-D442 IonicContact CE1-OD2 2.92Å; H431-D442 PolarHBondContact CE1-OD2 3.1Å; H431-D442 IonicContact CG-OD1 2.68Å; H431-D442 VanDerWaalsContact ND1-CG 3.3Å; H431-D442 IonicContact ND1-OD1 3.52Å; H431-D442 PolarHBondContact ND1-OD1 2.88Å; H431-D442 IonicContact ND1-OD2 3.17Å; H431-D442 PolarHBondContact ND1-OD2 3.1Å; D442-Y444 PolarHBondContact O-N 3.01Å; D442-Y444 VanDerWaalsContact OD1-CB 3.28Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.5Å; D442-Y444 PolarHBondContact OD1-N 3.33Å
443	G	98.6	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.			trans	63.1	26.4	-176.2	0	0	0	0	0	113.1	H431 L446 G447	H431-G443 CarbonylContact O-C 3.48Å; H431-G443 WeakPolarHBondContact O-CA 3.33Å; G443-L446 WeakPolarHBondContact O-CB 3.45Å; G443-L446 PolarHBondContact O-N 3.46Å; G443-G447 PolarHBondContact O-N 3.29Å
444	Y	98.9	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-46.1	-176.1	-169.8	-68.9	0	0	0	112.4	M265 L384 F390 V395 S398 L414 H431 D442 G447 L448	M265-Y444 HydrophobicContact CB-CD2 3.61Å; M265-Y444 HydrophobicContact CB-CE1 4.43Å; M265-Y444 HydrophobicContact CB-CE2 3.3Å; M265-Y444 HydrophobicContact CB-CG 4.29Å; M265-Y444 HydrophobicContact CE-CE1 4.35Å; M265-Y444 HydrophobicContact CG-CD2 4.5Å; M265-Y444 HydrophobicContact CG-CE1 4.41Å; M265-Y444 HydrophobicContact CG-CE2 3.79Å; L384-Y444 HydrophobicContact CD1-CD1 4.32Å; L384-Y444 HydrophobicContact CD1-CE1 3.85Å; F390-Y444 AromaticContact CE2-CD1 3.89Å; F390-Y444 HydrophobicContact CE2-CD1 3.89Å; F390-Y444 HydrophobicContact CE2-CD2 4.32Å; F390-Y444 HydrophobicContact CE2-CE1 4.35Å; F390-Y444 AromaticContact CE2-CG 3.91Å; F390-Y444 HydrophobicContact CE2-CG 3.91Å; F390-Y444 AromaticContact CZ-CD1 3.61Å; F390-Y444 HydrophobicContact CZ-CD1 3.61Å; F390-Y444 HydrophobicContact CZ-CE1 4.37Å; F390-Y444 AromaticContact CZ-CG 3.79Å; F390-Y444 HydrophobicContact CZ-CG 3.79Å; V395-Y444 HydrophobicContact CB-CD2 4.12Å; V395-Y444 HydrophobicContact CG1-CD2 3.82Å; V395-Y444 HydrophobicContact CG1-CE2 3.84Å; S398-Y444 WeakPolarHBondContact OG-CE2 3.48Å; L414-Y444 HydrophobicContact CD2-CE1 4.45Å; L414-Y444 WeakPolarHBondContact CD2-OH 3.36Å; L414-Y444 VanDerWaalsContact CG-OH 3.3Å; L414-Y444 WeakPolarHBondContact CG-OH 3.39Å; H431-Y444 PolarHBondContact O-N 3.43Å; H431-Y444 VanDerWaalsContact O-N 3.14Å; D442-Y444 PolarHBondContact O-N 3.01Å; D442-Y444 VanDerWaalsContact OD1-CB 3.28Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.5Å; D442-Y444 PolarHBondContact OD1-N 3.33Å; Y444-G447 WeakPolarHBondContact O-CA 3.33Å; Y444-G447 PolarHBondContact O-N 2.71Å; Y444-L448 PolarHBondContact O-N 2.78Å
445	L	98.9	Very high	97.9	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-72.5	-31.1	177.5	-74.2	179.8	0	0	0	112.2	R381 L384 E385 F390 H431 R432 G447 L448 D449	R381-L445 HydrophobicContact CG-CD2 4.35Å; L384-L445 HydrophobicContact CB-CD2 4.07Å; L384-L445 HydrophobicContact CD1-CD2 3.97Å; E385-L445 HydrophobicContact CG-CD1 4.13Å; F390-L445 HydrophobicContact CE1-CD1 3.95Å; F390-L445 HydrophobicContact CE1-CD2 4.19Å; F390-L445 HydrophobicContact CE1-CG 3.77Å; F390-L445 HydrophobicContact CZ-CG 4.17Å; H431-L445 HydrophobicContact CB-CB 4.04Å; H431-L445 HydrophobicContact CB-CD1 4.14Å; H431-L445 HydrophobicContact CB-CG 3.89Å; H431-L445 WeakPolarHBondContact O-CA 3.36Å; H431-L445 WeakPolarHBondContact O-CB 3.38Å; H431-L445 PolarHBondContact O-N 3.41Å; R432-L445 HydrophobicContact CG-CB 3.57Å; L445-G447 VanDerWaalsContact C-N 3.26Å; L445-G447 PolarHBondContact O-N 2.98Å; L445-L448 HydrophobicContact CD2-CD2 4.02Å; L445-L448 PolarHBondContact O-N 3.01Å; L445-D449 VanDerWaalsContact O-CB 3.3Å; L445-D449 WeakPolarHBondContact O-CB 3.29Å; L445-D449 PolarHBondContact O-N 3.38Å
446	L	98.9	Very high	98	Very high	60 Å²	60	29.1 Å²	29.1	31%	0.314	17%	0.17	S	C	.	.	H	α-helix	trans	-56.5	-45.8	166.6	171.9	66.8	0	0	0	110.5	V267 H431 G443 D449 N450	V267-L446 HydrophobicContact CG1-CD2 3.82Å; H431-L446 PolarHBondContact O-N 2.89Å; G443-L446 WeakPolarHBondContact O-CB 3.45Å; G443-L446 PolarHBondContact O-N 3.46Å; L446-D449 PolarHBondContact O-N 3.39Å; L446-N450 PolarHBondContact O-N 2.84Å; L446-N450 VanDerWaalsContact O-N 3.09Å; L446-N450 PolarHBondContact O-ND2 2.97Å; L446-N450 VanDerWaalsContact O-ND2 3.13Å
447	G	98.9	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.1	-53.2	172.3	0	0	0	0	0	113.4	L328 G329 F330 G443 Y444 L445 N450 L451	L328-G447 WeakPolarHBondContact O-CA 3.44Å; G329-G447 VanDerWaalsContact C-CA 3.48Å; G329-G447 WeakPolarHBondContact O-CA 3.41Å; F330-G447 WeakPolarHBondContact CD1-O 3.3Å; G443-G447 PolarHBondContact O-N 3.29Å; Y444-G447 WeakPolarHBondContact O-CA 3.33Å; Y444-G447 PolarHBondContact O-N 2.71Å; L445-G447 VanDerWaalsContact C-N 3.26Å; L445-G447 PolarHBondContact O-N 2.98Å; G447-N450 PolarHBondContact O-N 2.8Å; G447-L451 WeakPolarHBondContact O-CB 3.12Å; G447-L451 PolarHBondContact O-N 3.09Å
448	L	98.9	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-40.8	-178.1	-176.2	55.8	0	0	0	112.5	M265 L377 I380 R381 L384 L400 Y444 L445 L451 I452	M265-L448 HydrophobicContact CE-CB 4.28Å; L377-L448 HydrophobicContact CB-CD1 4.29Å; L377-L448 HydrophobicContact CD2-CD1 3.83Å; I380-L448 HydrophobicContact CG2-CD2 4.14Å; R381-L448 HydrophobicContact CB-CD2 3.62Å; R381-L448 HydrophobicContact CB-CG 4.29Å; R381-L448 HydrophobicContact CG-CD2 4.16Å; L384-L448 HydrophobicContact CD1-CD2 3.54Å; L400-L448 HydrophobicContact CD1-CD1 4.03Å; Y444-L448 PolarHBondContact O-N 2.78Å; L445-L448 HydrophobicContact CD2-CD2 4.02Å; L445-L448 PolarHBondContact O-N 3.01Å; L448-L451 PolarHBondContact O-N 3.26Å; L448-I452 HydrophobicContact CD1-CD1 4.12Å; L448-I452 HydrophobicContact CD1-CG1 4.24Å; L448-I452 HydrophobicContact CG-CD1 4.01Å; L448-I452 WeakPolarHBondContact O-CB 3.45Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.42Å; L448-I452 PolarHBondContact O-N 2.81Å
449	D	98.9	Very high	98.3	Very high	44 Å²	44	20.1 Å²	20.1	24%	0.235	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-44.6	177.4	-74	-29.4	0	0	0	111	R381 R432 L445 L446 G453	R381-D449 WeakPolarHBondContact CD-OD1 3.41Å; R381-D449 IonicContact CZ-OD1 3.33Å; R381-D449 IonicContact NE-OD1 2.81Å; R381-D449 IonicContact NH1-OD1 3.63Å; R381-D449 PolarHBondContact NH1-OD1 2.97Å; R432-D449 IonicContact CZ-OD2 3.55Å; R432-D449 IonicContact NE-OD2 3.61Å; R432-D449 PolarHBondContact NE-OD2 3.32Å; R432-D449 IonicContact NH2-OD1 2.89Å; R432-D449 IonicContact NH2-OD2 3.27Å; R432-D449 PolarHBondContact NH2-OD2 3.29Å; R432-D449 VanDerWaalsContact NH2-OD2 3.14Å; L445-D449 VanDerWaalsContact O-CB 3.3Å; L445-D449 WeakPolarHBondContact O-CB 3.29Å; L445-D449 PolarHBondContact O-N 3.38Å; L446-D449 PolarHBondContact O-N 3.39Å; D449-G453 PolarHBondContact O-N 3.33Å
450	N	98.9	Very high	98.2	Very high	48 Å²	48	26.4 Å²	26.4	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-65.4	-41.7	175.4	-76.2	-41.1	0	0	0	112.4	L328 F330 L446 G447 G453 I454	L328-N450 HydrophobicContact CB-CB 4.43Å; L328-N450 WeakPolarHBondContact O-CB 3.47Å; L328-N450 PolarHBondContact O-ND2 3.05Å; F330-N450 HydrophobicContact CE1-CB 4.11Å; L446-N450 PolarHBondContact O-N 2.84Å; L446-N450 VanDerWaalsContact O-N 3.09Å; L446-N450 PolarHBondContact O-ND2 2.97Å; L446-N450 VanDerWaalsContact O-ND2 3.13Å; G447-N450 PolarHBondContact O-N 2.8Å; N450-G453 PolarHBondContact O-N 3.38Å; N450-I454 WeakPolarHBondContact O-CD1 3.33Å; N450-I454 VanDerWaalsContact O-CG1 3.3Å; N450-I454 WeakPolarHBondContact O-CG1 3.27Å; N450-I454 PolarHBondContact O-N 3.31Å
451	L	98.8	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-46.9	179.4	-177.2	57.6	0	0	0	111.5	F330 F359 L377 L400 F402 G447 L448 G453 I454 L455	F330-L451 HydrophobicContact CD1-CB 4.11Å; F330-L451 HydrophobicContact CD2-CD1 4.5Å; F330-L451 HydrophobicContact CE1-CB 3.75Å; F330-L451 HydrophobicContact CE1-CD1 4.22Å; F330-L451 HydrophobicContact CE2-CD1 3.84Å; F330-L451 HydrophobicContact CZ-CB 4.08Å; F330-L451 HydrophobicContact CZ-CD1 3.66Å; F330-L451 HydrophobicContact CZ-CG 4.44Å; F359-L451 HydrophobicContact CE2-CD1 3.54Å; F359-L451 HydrophobicContact CZ-CD1 3.55Å; L377-L451 HydrophobicContact CD1-CD2 4.41Å; L377-L451 HydrophobicContact CD1-CG 4.18Å; L377-L451 HydrophobicContact CD2-CD2 4.45Å; L400-L451 HydrophobicContact CD1-CD2 3.93Å; F402-L451 HydrophobicContact CE2-CD2 4.12Å; F402-L451 HydrophobicContact CZ-CD2 3.76Å; F402-L451 HydrophobicContact CZ-CG 4.44Å; G447-L451 WeakPolarHBondContact O-CB 3.12Å; G447-L451 PolarHBondContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.26Å; L451-G453 VanDerWaalsContact C-N 3.32Å; L451-G453 PolarHBondContact O-N 3.31Å; L451-I454 PolarHBondContact O-N 3.26Å; L451-L455 HydrophobicContact CD1-CD1 3.81Å; L451-L455 HydrophobicContact CG-CD1 4.47Å; L451-L455 WeakPolarHBondContact O-CD1 3.38Å; L451-L455 PolarHBondContact O-N 3.31Å
452	I	98.9	Very high	97.7	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-48.1	171.9	-73.6	169.5	0	0	0	110.2	L374 L377 R381 L448 I454 L455 A456	L374-I452 HydrophobicContact CD2-CG2 4.48Å; L377-I452 HydrophobicContact CB-CD1 4.15Å; L377-I452 HydrophobicContact CB-CG1 3.69Å; L377-I452 HydrophobicContact CD1-CG1 4.26Å; R381-I452 HydrophobicContact CB-CD1 4.21Å; L448-I452 HydrophobicContact CD1-CD1 4.12Å; L448-I452 HydrophobicContact CD1-CG1 4.24Å; L448-I452 HydrophobicContact CG-CD1 4.01Å; L448-I452 WeakPolarHBondContact O-CB 3.45Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.42Å; L448-I452 PolarHBondContact O-N 2.81Å; I452-I454 VanDerWaalsContact C-N 3.29Å; I452-I454 PolarHBondContact O-N 3.45Å; I452-L455 PolarHBondContact O-N 3.48Å; I452-A456 VanDerWaalsContact O-CB 3.29Å; I452-A456 WeakPolarHBondContact O-CB 3.14Å; I452-A456 PolarHBondContact O-N 2.93Å
453	G	98.8	Very high	97.7	Very high	27 Å²	27	36.6 Å²	36.6	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-37.8	179.2	0	0	0	0	0	113.1	R352 D449 N450 L451 S457	R352-G453 VanDerWaalsContact NH2-C 3.26Å; R352-G453 PolarHBondContact NH2-O 3.42Å; D449-G453 PolarHBondContact O-N 3.33Å; N450-G453 PolarHBondContact O-N 3.38Å; L451-G453 VanDerWaalsContact C-N 3.32Å; L451-G453 PolarHBondContact O-N 3.31Å; G453-S457 WeakPolarHBondContact O-CB 3.46Å; G453-S457 PolarHBondContact O-N 3.27Å; G453-S457 PolarHBondContact O-OG 3.11Å
454	I	98.8	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-49.5	177	-73.3	160.9	0	0	0	111.1	L328 F330 R352 V355 L356 N450 L451 I452 A456 S457 L458	L328-I454 HydrophobicContact CD1-CD1 4.12Å; F330-I454 HydrophobicContact CE1-CD1 4.11Å; F330-I454 HydrophobicContact CZ-CD1 3.71Å; R352-I454 HydrophobicContact CG-CD1 3.91Å; R352-I454 HydrophobicContact CG-CG1 3.66Å; V355-I454 HydrophobicContact CB-CD1 4.49Å; V355-I454 HydrophobicContact CG1-CD1 4.07Å; V355-I454 HydrophobicContact CG1-CG2 4.42Å; L356-I454 HydrophobicContact CB-CG2 3.93Å; L356-I454 HydrophobicContact CG-CG2 4.32Å; N450-I454 WeakPolarHBondContact O-CD1 3.33Å; N450-I454 VanDerWaalsContact O-CG1 3.3Å; N450-I454 WeakPolarHBondContact O-CG1 3.27Å; N450-I454 PolarHBondContact O-N 3.31Å; L451-I454 PolarHBondContact O-N 3.26Å; I452-I454 VanDerWaalsContact C-N 3.29Å; I452-I454 PolarHBondContact O-N 3.45Å; I454-A456 VanDerWaalsContact C-N 3.28Å; I454-A456 PolarHBondContact O-N 3.06Å; I454-S457 WeakPolarHBondContact O-CB 3.33Å; I454-S457 PolarHBondContact O-N 3.19Å; I454-L458 PolarHBondContact O-N 2.92Å
455	L	98.6	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-35.2	178.6	-90.6	64.5	0	0	0	111.5	F359 L370 L374 L377 F402 L451 I452 L458 A459	F359-L455 HydrophobicContact CB-CD1 4.47Å; F359-L455 HydrophobicContact CD1-CD1 3.83Å; F359-L455 HydrophobicContact CD1-CG 4.46Å; F359-L455 HydrophobicContact CD2-CD1 3.92Å; F359-L455 HydrophobicContact CE1-CD1 3.99Å; F359-L455 HydrophobicContact CE2-CD1 4.08Å; F359-L455 HydrophobicContact CG-CD1 3.8Å; F359-L455 HydrophobicContact CZ-CD1 4.12Å; L370-L455 HydrophobicContact CD1-CB 4.06Å; L370-L455 HydrophobicContact CD1-CD2 4.18Å; L370-L455 HydrophobicContact CD1-CG 3.84Å; L374-L455 HydrophobicContact CD2-CB 3.59Å; L374-L455 HydrophobicContact CG-CB 3.92Å; L377-L455 HydrophobicContact CD1-CD2 3.75Å; F402-L455 HydrophobicContact CE1-CD2 4.31Å; L451-L455 HydrophobicContact CD1-CD1 3.81Å; L451-L455 HydrophobicContact CG-CD1 4.47Å; L451-L455 WeakPolarHBondContact O-CD1 3.38Å; L451-L455 PolarHBondContact O-N 3.31Å; I452-L455 PolarHBondContact O-N 3.48Å; L455-L458 WeakPolarHBondContact O-CB 3.41Å; L455-L458 PolarHBondContact O-N 3.07Å; L455-A459 PolarHBondContact O-N 2.93Å
456	A	98.4	Very high	97.5	Very high	39 Å²	39	43.1 Å²	43.1	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-42.1	175	0	0	0	0	0	110.9	L374 I452 I454 L458 A459 E460	L374-A456 HydrophobicContact CD2-CB 4.17Å; I452-A456 VanDerWaalsContact O-CB 3.29Å; I452-A456 WeakPolarHBondContact O-CB 3.14Å; I452-A456 PolarHBondContact O-N 2.93Å; I454-A456 VanDerWaalsContact C-N 3.28Å; I454-A456 PolarHBondContact O-N 3.06Å; A456-L458 PolarHBondContact O-N 3.3Å; A456-A459 PolarHBondContact O-N 3.46Å; A456-E460 WeakPolarHBondContact O-CG 3.47Å; A456-E460 PolarHBondContact O-N 3.5Å
457	S	98	Very high	97.4	Very high	43 Å²	43	42 Å²	42	30%	0.301	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-30	173.2	-61.3	0	0	0	0	113.2	R352 G453 I454	R352-S457 PolarHBondContact NH1-OG 2.85Å; R352-S457 PolarHBondContact NH2-OG 3.24Å; G453-S457 WeakPolarHBondContact O-CB 3.46Å; G453-S457 PolarHBondContact O-N 3.27Å; G453-S457 PolarHBondContact O-OG 3.11Å; I454-S457 WeakPolarHBondContact O-CB 3.33Å; I454-S457 PolarHBondContact O-N 3.19Å
458	L	96.9	Very high	97.3	Very high	10 Å²	10	45 Å²	45	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-74	-36.7	175.5	179.7	61.4	0	0	0	111.5	L356 F359 E360 V363 L370 I454 L455 A456 E460 R461	L356-L458 HydrophobicContact CD2-CD1 3.92Å; L356-L458 HydrophobicContact CG-CB 4.33Å; L356-L458 HydrophobicContact CG-CD1 4.4Å; F359-L458 HydrophobicContact CB-CD2 3.99Å; E360-L458 HydrophobicContact CB-CD1 3.76Å; E360-L458 HydrophobicContact CB-CD2 4.31Å; E360-L458 HydrophobicContact CG-CD1 4Å; V363-L458 HydrophobicContact CG2-CD2 4.33Å; L370-L458 HydrophobicContact CD1-CD2 4.13Å; L370-L458 HydrophobicContact CD2-CB 4.27Å; L370-L458 HydrophobicContact CD2-CD2 4.12Å; L370-L458 HydrophobicContact CD2-CG 3.85Å; I454-L458 PolarHBondContact O-N 2.92Å; L455-L458 WeakPolarHBondContact O-CB 3.41Å; L455-L458 PolarHBondContact O-N 3.07Å; A456-L458 PolarHBondContact O-N 3.3Å; L458-E460 PolarHBondContact O-N 3.29Å; L458-R461 PolarHBondContact O-N 3.35Å
459	A	95.8	Very high	97.1	Very high	48 Å²	48	48.5 Å²	48.5	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-68.8	-20.8	179.6	0	0	0	0	0	113.7	L370 L374 L455 A456	L370-A459 HydrophobicContact CD2-CB 3.79Å; L370-A459 HydrophobicContact CG-CB 4.25Å; L374-A459 HydrophobicContact CD1-CB 3.9Å; L455-A459 PolarHBondContact O-N 2.93Å; A456-A459 PolarHBondContact O-N 3.46Å
460	E	94	Very high	97	Very high	171 Å²	171	48.8 Å²	48.8	80%	0.799	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.4	176.9	-61.7	-65.9	149.8	0	0	113.4	A456 L458	A456-E460 WeakPolarHBondContact O-CG 3.47Å; A456-E460 PolarHBondContact O-N 3.5Å; L458-E460 PolarHBondContact O-N 3.29Å
461	R	88.1	Confident	96.8	Very high	192 Å²	192	48.9 Å²	48.9	73%	0.725	27%	0.265	S	S	*	.			trans	-91.1	0	174.7	-74.5	-177.8	175.6	-158.4	-0.1	110.8	L356 L458	L356-R461 VanDerWaalsContact CD2-CZ 3.42Å; L356-R461 VanDerWaalsContact CD2-NH1 3.25Å; L458-R461 PolarHBondContact O-N 3.35Å

Retrieved 461 of 461 residues in 110.9 ms (Link to these results)

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