A0A068B0Y9_HUMAN Loading...

Cis-AB glycosyltransferase

AlphaFold DB , UniProt , Accession A0A068B0Y9, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 354 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	37.5	Very low	36.3	Very low	244 Å²	244	151.7 Å²	151.7	100%	1.202	84%	0.84	S	S	*	*				0	120.4	0	-81	-140.9	-76.8	0	0	108.1
2	A	35.2	Very low	36.8	Very low	99 Å²	99	149 Å²	149	82%	0.818	84%	0.835	S	S	*	*			trans	55	105.1	171.2	0	0	0	0	0	116.1
3	E	37.7	Very low	37.3	Very low	173 Å²	173	153.3 Å²	153.3	81%	0.808	84%	0.839	S	S	*	*				52.8	117	50.4	-146.4	171.6	-150.2	0	0	113.5
4	V	39.8	Very low	37.6	Very low	127 Å²	127	149.1 Å²	149.1	77%	0.77	82%	0.824	S	S	*	*			trans	163	108.3	133.9	160.7	0	0	0	0	108.8
5	L	38.7	Very low	38.8	Very low	125 Å²	125	151.8 Å²	151.8	65%	0.654	83%	0.828	S	S	*	*				69.4	114.8	76.7	-109.8	138	0	0	0	115.3
6	R	36.1	Very low	39.7	Very low	217 Å²	217	146.9 Å²	146.9	82%	0.819	81%	0.814	S	S	*	*				153.9	104.4	124.4	-85.8	178.3	-173.8	163.9	3.7	110.7
7	T	36	Very low	40.6	Very low	114 Å²	114	144.6 Å²	144.6	70%	0.699	80%	0.799	S	S	*	*				53.9	115.6	93.4	56.6	0	0	0	0	114.7
8	L	33.3	Very low	41.5	Very low	178 Å²	178	148.7 Å²	148.7	93%	0.932	80%	0.801	S	S	*	*				-166.7	137.8	118	-101.3	155.3	0	0	0	111.3
9	A	33.6	Very low	42.6	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	79%	0.789	S	S	*	*			trans	-82.4	150	-176.4	0	0	0	0	0	112
10	G	32.6	Very low	43.8	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	78%	0.782	S	S	*	*			trans	-169.9	92.5	167.3	0	0	0	0	0	110.4
11	K	39.3	Very low	45.1	Very low	217 Å²	217	142.2 Å²	142.2	94%	0.943	77%	0.767	S	S	*	*			trans	-69.6	141.3	172.2	-80.6	177.2	174.8	175.6	0	110.6
12	P	41.8	Very low	46.7	Very low	119 Å²	119	136 Å²	136	77%	0.773	74%	0.738	S	S	*	*			trans	-111.8	145.4	150	26.7	-11	0	0	0	112.3
13	K	43.8	Very low	48.5	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	73%	0.73	S	S	*	*			trans	-64.3	129	177	-67.2	166.7	173.5	173.3	0	110.5
14	C	41.1	Very low	50.1	Low	94 Å²	94	135.2 Å²	135.2	64%	0.635	72%	0.718	S	S	*	*			trans	-124.4	72.6	174.3	-158.3	0	0	0	0	110.3
15	H	55.2	Low	51.7	Low	190 Å²	190	133.4 Å²	133.4	88%	0.88	70%	0.703	S	S	*	*			trans	-103.6	75.1	171.3	-77	-71.9	0	0	0	109.2
16	A	53.6	Low	53.3	Low	73 Å²	73	133 Å²	133	60%	0.603	70%	0.699	S	S	*	*	S	Bend	trans	-163	-19.9	167.7	0	0	0	0	0	112.9
17	L	55.4	Low	55.1	Low	108 Å²	108	127.1 Å²	127.1	57%	0.565	68%	0.684	S	S	*	*	H	α-helix	trans	-83.4	-25.7	-172.6	-127.7	79.1	0	0	0	115.1	I21	L17-I21 HydrophobicContact CD2-CD1 4.5Å; L17-I21 WeakPolarHBondContact O-CD1 3.47Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.43Å
18	R	56	Low	56.8	Low	219 Å²	219	125.3 Å²	125.3	83%	0.826	67%	0.672	S	S	*	*	H	α-helix	trans	-67.5	-43.2	-175.5	-97.3	-178	174.2	-178.4	-2.3	115.8	L22	R18-L22 PolarHBondContact O-N 3.36Å
19	P	61.9	Low	58.6	Low	90 Å²	90	122 Å²	122	58%	0.584	66%	0.655	S	S	*	*	H	α-helix	trans	-72.8	-30	-179.4	24.5	-30.2	0	0	0	113.1	L22 F23	P19-L22 PolarHBondContact O-N 3.13Å; P19-F23 PolarHBondContact O-N 3.08Å; P19-F23 VanDerWaalsContact O-N 3.08Å
20	M	66.7	Low	60.3	Low	129 Å²	129	121 Å²	121	64%	0.635	64%	0.638	S	S	*	*	H	α-helix	trans	-65.1	-41.5	176.2	-107.2	-89.3	-173.4	0	0	112.6	F23 L24	M20-F23 PolarHBondContact O-N 3.09Å; M20-L24 PolarHBondContact O-N 3.4Å; M20-L24 VanDerWaalsContact O-N 3.09Å
21	I	71.3	Confident	61.7	Low	91 Å²	91	123.2 Å²	123.2	47%	0.467	63%	0.632	S	S	.	*	H	α-helix	trans	-66.8	-41.2	177.9	-65.9	167.2	0	0	0	110.8	L17 F23 L24 I25	L17-I21 HydrophobicContact CD2-CD1 4.5Å; L17-I21 WeakPolarHBondContact O-CD1 3.47Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.43Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.36Å; I21-L24 PolarHBondContact O-N 3.46Å; I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.4Å; I21-I25 PolarHBondContact O-N 3.08Å; I21-I25 VanDerWaalsContact O-N 3.08Å
22	L	70.8	Confident	62.4	Low	113 Å²	113	120.4 Å²	120.4	59%	0.592	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-38.4	176.2	-78.7	162.2	0	0	0	112.1	R18 P19 I25 M26	R18-L22 PolarHBondContact O-N 3.36Å; P19-L22 PolarHBondContact O-N 3.13Å; L22-I25 PolarHBondContact O-N 3.46Å; L22-M26 WeakPolarHBondContact O-CG 3.31Å; L22-M26 PolarHBondContact O-N 3.46Å; L22-M26 VanDerWaalsContact O-N 3.13Å
23	F	74.4	Confident	62.8	Low	151 Å²	151	116.8 Å²	116.8	66%	0.662	60%	0.604	S	S	*	*	H	α-helix	trans	-66.1	-41.5	176.8	-165.6	-97.2	0	0	0	112.4	P19 M20 I21 M26 L27	P19-F23 PolarHBondContact O-N 3.08Å; P19-F23 VanDerWaalsContact O-N 3.08Å; M20-F23 PolarHBondContact O-N 3.09Å; I21-F23 VanDerWaalsContact C-N 3.32Å; I21-F23 PolarHBondContact O-N 3.36Å; F23-M26 PolarHBondContact O-N 3.07Å; F23-L27 PolarHBondContact O-N 3.07Å; F23-L27 VanDerWaalsContact O-N 3.07Å
24	L	71.4	Confident	62.9	Low	104 Å²	104	116.3 Å²	116.3	55%	0.545	60%	0.598	S	S	.	*	H	α-helix	trans	-64.1	-40.9	175.8	-111.5	107	0	0	0	112.6	M20 I21 M26 L27 V28	M20-L24 PolarHBondContact O-N 3.4Å; M20-L24 VanDerWaalsContact O-N 3.09Å; I21-L24 PolarHBondContact O-N 3.46Å; L24-M26 VanDerWaalsContact C-N 3.35Å; L24-M26 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 2.98Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.49Å
25	I	72.7	Confident	63	Low	89 Å²	89	115 Å²	115	46%	0.456	60%	0.6	S	S	.	*	H	α-helix	trans	-63.6	-42.1	178	-67.8	166.7	0	0	0	110.7	I21 L22 L27 V28 L29	I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.4Å; I21-I25 PolarHBondContact O-N 3.08Å; I21-I25 VanDerWaalsContact O-N 3.08Å; L22-I25 PolarHBondContact O-N 3.46Å; I25-L27 PolarHBondContact O-N 3.4Å; I25-V28 PolarHBondContact O-N 3.31Å; I25-L29 HydrophobicContact CG2-CD1 4.11Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.4Å
26	M	71.6	Confident	62.6	Low	118 Å²	118	111.9 Å²	111.9	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-64.1	-39.2	176.5	-72	-62.1	-68	0	0	112.3	L22 F23 L24 L29 V30	L22-M26 WeakPolarHBondContact O-CG 3.31Å; L22-M26 PolarHBondContact O-N 3.46Å; L22-M26 VanDerWaalsContact O-N 3.13Å; F23-M26 PolarHBondContact O-N 3.07Å; L24-M26 VanDerWaalsContact C-N 3.35Å; L24-M26 PolarHBondContact O-N 3.5Å; M26-L29 PolarHBondContact O-N 3.06Å; M26-V30 WeakPolarHBondContact O-CG2 3.35Å; M26-V30 PolarHBondContact O-N 3.37Å
27	L	73.8	Confident	62.1	Low	93 Å²	93	115.5 Å²	115.5	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-64.5	-40.9	177.2	-164.8	78.3	0	0	0	111.9	F23 L24 I25 V30 L31	F23-L27 PolarHBondContact O-N 3.07Å; F23-L27 VanDerWaalsContact O-N 3.07Å; L24-L27 PolarHBondContact O-N 2.98Å; I25-L27 PolarHBondContact O-N 3.4Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.34Å; L27-L31 PolarHBondContact O-N 3.21Å
28	V	72	Confident	61.2	Low	75 Å²	75	116 Å²	116	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-64.8	-41.3	176.3	172.7	0	0	0	0	111.2	L24 I25 V30 L31 F32	L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.49Å; I25-V28 PolarHBondContact O-N 3.31Å; V28-V30 PolarHBondContact O-N 3.49Å; V28-L31 PolarHBondContact O-N 3.32Å; V28-F32 HydrophobicContact CG1-CD2 3.92Å; V28-F32 HydrophobicContact CG1-CE2 4.31Å; V28-F32 WeakPolarHBondContact O-CB 3.44Å; V28-F32 PolarHBondContact O-N 2.92Å
29	L	71.6	Confident	60.4	Low	110 Å²	110	110.8 Å²	110.8	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-66.4	-35.7	177.5	-71.2	170.6	0	0	0	112.6	I25 M26 G33	I25-L29 HydrophobicContact CG2-CD1 4.11Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.4Å; M26-L29 PolarHBondContact O-N 3.06Å; L29-G33 WeakPolarHBondContact O-CA 3.42Å; L29-G33 PolarHBondContact O-N 3.25Å
30	V	69.6	Low	59	Low	79 Å²	79	118.4 Å²	118.4	48%	0.479	63%	0.627	S	S	.	*	H	α-helix	trans	-70.5	-42.8	175.3	172.8	0	0	0	0	111.1	M26 L27 V28 G33 Y34	M26-V30 WeakPolarHBondContact O-CG2 3.35Å; M26-V30 PolarHBondContact O-N 3.37Å; L27-V30 PolarHBondContact O-N 3.4Å; V28-V30 PolarHBondContact O-N 3.49Å; V30-G33 PolarHBondContact O-N 3.04Å; V30-Y34 HydrophobicContact CG1-CD2 4.07Å; V30-Y34 HydrophobicContact CG1-CE2 4.31Å; V30-Y34 WeakPolarHBondContact O-CD2 3.48Å; V30-Y34 PolarHBondContact O-N 3.37Å; V30-Y34 VanDerWaalsContact O-N 3.07Å
31	L	60.9	Low	57.3	Low	120 Å²	120	117.8 Å²	117.8	63%	0.628	64%	0.635	S	S	*	*	H	α-helix	trans	-67	-38.7	178.3	-73.4	167.4	0	0	0	112.5	L27 V28	L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.34Å; L27-L31 PolarHBondContact O-N 3.21Å; V28-L31 PolarHBondContact O-N 3.32Å
32	F	54.4	Low	55.4	Low	159 Å²	159	120.5 Å²	120.5	70%	0.697	65%	0.65	S	S	*	*	H	α-helix	trans	-77.5	-30	174.9	-90.1	-91.1	0	0	0	113.2	V28 G35	V28-F32 HydrophobicContact CG1-CD2 3.92Å; V28-F32 HydrophobicContact CG1-CE2 4.31Å; V28-F32 WeakPolarHBondContact O-CB 3.44Å; V28-F32 PolarHBondContact O-N 2.92Å; F32-G35 PolarHBondContact O-N 3.31Å
33	G	50.3	Low	53.5	Low	42 Å²	42	122.7 Å²	122.7	43%	0.433	66%	0.659	S	S	.	*	H	α-helix	trans	-69.3	-32.8	175.5	0	0	0	0	0	113.7	L29 V30	L29-G33 WeakPolarHBondContact O-CA 3.42Å; L29-G33 PolarHBondContact O-N 3.25Å; V30-G33 PolarHBondContact O-N 3.04Å
34	Y	45.8	Very low	51.8	Low	195 Å²	195	121.1 Å²	121.1	77%	0.765	66%	0.664	S	S	*	*	H	α-helix	trans	-78.9	-17.5	175.6	-93.9	-90.3	0	0	0	114	V30 V36	V30-Y34 HydrophobicContact CG1-CD2 4.07Å; V30-Y34 HydrophobicContact CG1-CE2 4.31Å; V30-Y34 WeakPolarHBondContact O-CD2 3.48Å; V30-Y34 PolarHBondContact O-N 3.37Å; V30-Y34 VanDerWaalsContact O-N 3.07Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 2.87Å
35	G	43.8	Very low	49.7	Very low	66 Å²	66	119.3 Å²	119.3	68%	0.68	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-11.3	175.6	0	0	0	0	0	114.9	F32	F32-G35 PolarHBondContact O-N 3.31Å
36	V	46.5	Very low	47.6	Very low	126 Å²	126	120.6 Å²	120.6	76%	0.764	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-4.4	-174	179.4	0	0	0	0	112.9	Y34	Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 2.87Å
37	L	42.7	Very low	45.5	Very low	149 Å²	149	123.3 Å²	123.3	78%	0.78	70%	0.704	S	S	*	*			trans	-128.2	77.3	179.4	-79.9	158.8	0	0	0	111.2
38	S	36.7	Very low	43.7	Very low	119 Å²	119	127.7 Å²	127.7	83%	0.832	72%	0.721	S	S	*	*			trans	-127.2	109.1	162.8	-152.9	0	0	0	0	109.5
39	P	40.5	Very low	41.6	Very low	109 Å²	109	135.7 Å²	135.7	71%	0.708	74%	0.744	S	S	*	*			trans	-101.8	126	176.4	33.8	-25.1	0	0	0	111.1
40	R	31.2	Very low	39.7	Very low	249 Å²	249	133.6 Å²	133.6	94%	0.94	75%	0.749	S	S	*	*			trans	144.8	133.9	161.2	-83.6	159.2	-177.6	-168.7	0.9	107.5
41	S	31.8	Very low	37.7	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	77%	0.769	S	S	*	*			cis	-166.9	149.6	21.3	38.6	0	0	0	0	110.7
42	L	31.4	Very low	36	Very low	148 Å²	148	140.4 Å²	140.4	78%	0.775	78%	0.782	S	S	*	*			trans	-42.1	149.3	171.8	-108.6	79.9	0	0	0	119.2
43	M	31	Very low	34.8	Very low	159 Å²	159	140.6 Å²	140.6	78%	0.783	79%	0.787	S	S	*	*			trans	110.6	149.5	141	-74	-56	161.1	0	0	120.7
44	P	39	Very low	33.9	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	81%	0.807	S	S	*	*			trans	-118.4	154.5	-130.4	39.7	-25.2	0	0	0	113.7
45	G	25.4	Very low	33.2	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	81%	0.809	S	S	*	*			trans	-175.2	107.7	172.9	0	0	0	0	0	113
46	S	29.1	Very low	32.6	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	82%	0.818	S	S	*	*			trans	41.6	103.4	146.8	60.9	0	0	0	0	118.8
47	L	27.9	Very low	31.9	Very low	175 Å²	175	150.8 Å²	150.8	92%	0.916	82%	0.821	S	S	*	*			trans	-151.4	94.2	134.1	-149.8	79.3	0	0	0	110.2	R49	L47-R49 PolarHBondContact O-N 3.07Å
48	E	36.8	Very low	32	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	82%	0.82	S	S	*	*			trans	-62.6	114.1	156.6	-73.8	-175.8	146.1	0	0	109
49	R	26.7	Very low	32.3	Very low	244 Å²	244	149.4 Å²	149.4	92%	0.921	81%	0.811	S	S	*	*			trans	-176.6	110.3	134.2	-113	165.4	-118.7	-167.8	-4.7	112.4	L47	L47-R49 PolarHBondContact O-N 3.07Å
50	G	33.1	Very low	32.4	Very low	66 Å²	66	153.8 Å²	153.8	68%	0.68	82%	0.822	S	S	*	*			trans	63.7	97.9	131.2	0	0	0	0	0	117.6
51	F	26.4	Very low	33.4	Very low	206 Å²	206	146.1 Å²	146.1	90%	0.904	80%	0.799	S	S	*	*				-165	72.3	128.6	-103.1	-74.9	0	0	0	108.3	M53	F51-M53 PolarHBondContact O-N 3.41Å
52	C	26.3	Very low	34.4	Very low	135 Å²	135	148.3 Å²	148.3	91%	0.912	80%	0.797	S	S	*	*			trans	-79.9	90.7	161	-79.4	0	0	0	0	107.4	A54	C52-A54 PolarHBondContact O-N 3.43Å
53	M	27.6	Very low	35.8	Very low	163 Å²	163	153.4 Å²	153.4	80%	0.803	81%	0.805	S	S	*	*			trans	-65	120.9	158.4	-83	-158.5	-79.5	0	0	107.5	F51 V55	F51-M53 PolarHBondContact O-N 3.41Å; M53-V55 PolarHBondContact O-N 3.02Å
54	A	32.3	Very low	38	Very low	102 Å²	102	149 Å²	149	84%	0.843	79%	0.787	S	S	*	*			trans	-59.9	94	176.7	0	0	0	0	0	110.3	C52 R56	C52-A54 PolarHBondContact O-N 3.43Å; A54-R56 PolarHBondContact O-N 3.45Å
55	V	31.5	Very low	40.4	Very low	132 Å²	132	148.4 Å²	148.4	80%	0.8	79%	0.786	S	S	*	*			trans	-76.6	101.7	154.8	179.4	0	0	0	0	105.3	M53 E57	M53-V55 PolarHBondContact O-N 3.02Å; V55-E57 PolarHBondContact O-N 3.46Å; V55-E57 VanDerWaalsContact O-N 3.11Å
56	R	31.6	Very low	43.7	Very low	234 Å²	234	148.3 Å²	148.3	88%	0.883	77%	0.769	S	S	*	*			trans	-64.5	106.7	169.2	-127.4	177.2	-175.8	170.7	0.5	106.7	A54 P58	A54-R56 PolarHBondContact O-N 3.45Å; R56-P58 WeakPolarHBondContact O-CD 3.43Å
57	E	30.8	Very low	46.8	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	75%	0.751	S	S	*	*			trans	-56.4	125	166.7	-74.8	-174.7	150.4	0	0	108.8	V55	V55-E57 PolarHBondContact O-N 3.46Å; V55-E57 VanDerWaalsContact O-N 3.11Å
58	P	44.8	Very low	50.1	Low	116 Å²	116	148.7 Å²	148.7	75%	0.753	75%	0.749	S	S	*	*			trans	-97	87	165.9	33.2	-20.1	0	0	0	107.1	R56	R56-P58 WeakPolarHBondContact O-CD 3.43Å
59	D	42.1	Very low	53	Low	123 Å²	123	142.4 Å²	142.4	66%	0.658	72%	0.721	S	S	*	*			trans	-173.8	100.8	152.6	-94.2	-23.4	0	0	0	109.7	L61	D59-L61 HydrophobicContact CB-CB 4.43Å; D59-L61 HydrophobicContact CB-CD1 4.29Å; D59-L61 HydrophobicContact CB-CG 4.48Å; D59-L61 PolarHBondContact O-N 2.94Å
60	H	43.8	Very low	56.4	Low	202 Å²	202	137 Å²	137	94%	0.935	71%	0.714	S	S	*	*			trans	-74.9	38.4	163.7	-72.1	-67.6	0	0	0	111.2	Q62	H60-Q62 PolarHBondContact O-N 2.75Å; H60-Q62 VanDerWaalsContact O-N 3.13Å
61	L	51.2	Low	59.5	Low	87 Å²	87	139 Å²	139	46%	0.455	70%	0.702	S	S	.	*			trans	-74.4	104.8	172	-83.5	164.4	0	0	0	108	D59 R63 Q112	D59-L61 HydrophobicContact CB-CB 4.43Å; D59-L61 HydrophobicContact CB-CD1 4.29Å; D59-L61 HydrophobicContact CB-CG 4.48Å; D59-L61 PolarHBondContact O-N 2.94Å; L61-R63 PolarHBondContact O-N 3.02Å; L61-R63 VanDerWaalsContact O-N 3.12Å; L61-Q112 HydrophobicContact CD2-CG 4.07Å
62	Q	54	Low	62.9	Low	164 Å²	164	134.7 Å²	134.7	77%	0.766	70%	0.695	S	S	*	*			trans	-53.3	121.4	171.4	-152.3	170.1	15.8	0	0	107.8	H60 V64	H60-Q62 PolarHBondContact O-N 2.75Å; H60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-V64 HydrophobicContact CB-CG2 4.18Å; Q62-V64 HydrophobicContact CG-CG2 4.39Å; Q62-V64 PolarHBondContact O-N 3.39Å
63	R	60.3	Low	66.3	Low	254 Å²	254	136.5 Å²	136.5	96%	0.958	69%	0.69	S	S	*	*			trans	-73.4	76.8	-177.2	-160.5	-177	-145.3	-179.4	8.1	109.4	L61	L61-R63 PolarHBondContact O-N 3.02Å; L61-R63 VanDerWaalsContact O-N 3.12Å
64	V	77.1	Confident	69.6	Low	66 Å²	66	133.4 Å²	133.4	40%	0.4	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-85.4	128.9	177.4	-167.2	0	0	0	0	108.7	Q62 L111	Q62-V64 HydrophobicContact CB-CG2 4.18Å; Q62-V64 HydrophobicContact CG-CG2 4.39Å; Q62-V64 PolarHBondContact O-N 3.39Å; V64-L111 HydrophobicContact CB-CB 4.15Å; V64-L111 HydrophobicContact CB-CD1 4.29Å; V64-L111 HydrophobicContact CG1-CB 4.02Å; V64-L111 HydrophobicContact CG1-CD1 3.86Å; V64-L111 HydrophobicContact CG1-CD2 3.62Å; V64-L111 HydrophobicContact CG1-CG 4.02Å
65	S	89.4	Confident	72.7	Confident	106 Å²	106	136.1 Å²	136.1	74%	0.741	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-73.8	131.6	174.9	-175.2	0	0	0	0	109.7
66	L	94.8	Very high	75.9	Confident	64 Å²	64	136.5 Å²	136.5	34%	0.335	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-62.5	144.4	168.8	-69.4	170.9	0	0	0	109.9	E107 Q108 L111	L66-E107 HydrophobicContact CD2-CB 3.67Å; L66-Q108 HydrophobicContact CD1-CG 4.22Å; L66-Q108 HydrophobicContact CD2-CG 3.89Å; L66-L111 HydrophobicContact CD2-CD1 3.81Å
67	P	95.2	Very high	79	Confident	66 Å²	66	133.4 Å²	133.4	43%	0.429	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-65.5	166.7	172.2	29.3	-34.6	0	0	0	110.6	M69 E107	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.41Å; P67-M69 PolarHBondContact O-N 3Å; P67-E107 HydrophobicContact CG-CG 4.41Å
68	R	96.6	Very high	82.2	Confident	234 Å²	234	128.9 Å²	128.9	88%	0.883	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-60.5	122.1	168.6	174.9	-177.6	169	120.4	-1.7	108.8
69	M	97.7	Very high	84.7	Confident	52 Å²	52	126.7 Å²	126.7	26%	0.256	65%	0.647	S	S	.	*			trans	-122.2	145.6	175.9	-59.6	176.7	80.7	0	0	109.8	P67 Y71 D103 I104 E107	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.41Å; P67-M69 PolarHBondContact O-N 3Å; M69-Y71 HydrophobicContact CB-CD1 3.69Å; M69-Y71 HydrophobicContact CB-CE1 3.71Å; M69-D103 HydrophobicContact CE-CB 3.85Å; M69-I104 HydrophobicContact CE-CG1 4.18Å; M69-I104 HydrophobicContact SD-CG1 4.35Å; M69-E107 HydrophobicContact CE-CG 3.81Å; M69-E107 HydrophobicContact SD-CB 4.42Å; M69-E107 HydrophobicContact SD-CG 3.97Å
70	V	97.9	Very high	87.4	Confident	130 Å²	130	124 Å²	124	79%	0.788	64%	0.637	S	S	*	*			trans	-115.3	114.4	174.2	-179	0	0	0	0	107.4
71	Y	97.5	Very high	90	Very high	108 Å²	108	114.8 Å²	114.8	42%	0.424	59%	0.594	S	S	.	*			trans	-145.6	161.1	-179.1	49.7	-103.6	0	0	0	110.2	M69 Q73 I104	M69-Y71 HydrophobicContact CB-CD1 3.69Å; M69-Y71 HydrophobicContact CB-CE1 3.71Å; Y71-Q73 PolarHBondContact O-N 3.27Å; Y71-I104 HydrophobicContact CD1-CD1 4.01Å; Y71-I104 HydrophobicContact CD1-CG1 4.14Å; Y71-I104 HydrophobicContact CD2-CD1 4.23Å; Y71-I104 HydrophobicContact CE1-CD1 3.74Å; Y71-I104 HydrophobicContact CE1-CG1 4.02Å; Y71-I104 HydrophobicContact CE2-CD1 3.99Å; Y71-I104 HydrophobicContact CG-CD1 4.25Å
72	P	97.9	Very high	92.2	Very high	115 Å²	115	119 Å²	119	75%	0.747	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-56.2	130.8	176.8	-25.9	35.4	0	0	0	112.1
73	Q	97.9	Very high	94.4	Very high	173 Å²	173	115.1 Å²	115.1	81%	0.808	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-60.4	131.3	178.7	-172.8	-178.7	8.5	0	0	110.7	Y71 K75	Y71-Q73 PolarHBondContact O-N 3.27Å; Q73-K75 PolarHBondContact O-N 3.5Å
74	P	97.7	Very high	96.2	Very high	98 Å²	98	104.5 Å²	104.5	64%	0.636	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-57.4	126.3	171.4	-24.1	34	0	0	0	111	V76	P74-V76 PolarHBondContact O-N 3.08Å
75	K	97.8	Very high	97.2	Very high	159 Å²	159	105.9 Å²	105.9	69%	0.691	56%	0.561	S	S	*	*			trans	-91.4	96	-178.6	-65.6	-176.9	-177.6	-179.7	0	110	Q73 L77 T78	Q73-K75 PolarHBondContact O-N 3.5Å; K75-L77 VanDerWaalsContact C-N 3.27Å; K75-L77 PolarHBondContact O-N 3.09Å; K75-T78 PolarHBondContact O-N 3.37Å
76	V	97.3	Very high	97.7	Very high	141 Å²	141	102.8 Å²	102.8	86%	0.855	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.8	-174.3	179.8	0	0	0	0	113.5	P74 T78	P74-V76 PolarHBondContact O-N 3.08Å; V76-T78 VanDerWaalsContact C-N 3.32Å
77	L	97.9	Very high	97.9	Very high	169 Å²	169	102.9 Å²	102.9	89%	0.885	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	6.5	-178.5	-58	-179.6	0	0	0	113.8	K75	K75-L77 VanDerWaalsContact C-N 3.27Å; K75-L77 PolarHBondContact O-N 3.09Å
78	T	97.8	Very high	98	Very high	80 Å²	80	99.9 Å²	99.9	49%	0.491	52%	0.522	S	S	.	.	S	Bend	trans	-121.7	113.6	179.8	-55.7	0	0	0	0	109.6	K75 V76	K75-T78 PolarHBondContact O-N 3.37Å; V76-T78 VanDerWaalsContact C-N 3.32Å
79	P	97.7	Very high	98.1	Very high	70 Å²	70	94.2 Å²	94.2	46%	0.455	52%	0.515	S	S	.	.			trans	-65.5	141.2	177.4	29	-36.1	0	0	0	110.8	R81 K82	P79-R81 VanDerWaalsContact C-N 3.32Å; P79-R81 PolarHBondContact O-N 3.1Å; P79-K82 HydrophobicContact CB-CG 4.36Å; P79-K82 HydrophobicContact CG-CD 4.14Å; P79-K82 HydrophobicContact CG-CG 3.52Å
80	C	97.9	Very high	98.2	Very high	65 Å²	65	94.8 Å²	94.8	44%	0.439	51%	0.514	S	S	.	.	S	Bend	trans	-67.3	-32.8	178.1	56.9	0	0	0	0	112.8	G98	C80-G98 WeakPolarHBondContact CB-O 3.38Å
81	R	98.4	Very high	98.2	Very high	9 Å²	9	95.5 Å²	95.5	3%	0.034	51%	0.513	C	S	.	.			trans	-137.2	140.3	172.7	-65	-67.6	-66.9	-92.6	-3.8	109	P79 D83 V84 V86 E97 T99 E322 V335	P79-R81 VanDerWaalsContact C-N 3.32Å; P79-R81 PolarHBondContact O-N 3.1Å; R81-D83 IonicContact CZ-OD1 3.21Å; R81-D83 IonicContact CZ-OD2 2.75Å; R81-D83 IonicContact NE-OD1 2.87Å; R81-D83 PolarHBondContact NE-OD1 2.96Å; R81-D83 IonicContact NE-OD2 2.89Å; R81-D83 PolarHBondContact NE-OD2 2.87Å; R81-D83 IonicContact NH2-OD1 2.7Å; R81-D83 IonicContact NH2-OD2 2.73Å; R81-D83 PolarHBondContact NH2-OD2 3.48Å; R81-V84 HydrophobicContact CB-CG2 3.71Å; R81-V84 HydrophobicContact CG-CG2 4.03Å; R81-V86 HydrophobicContact CB-CG1 3.76Å; R81-V86 HydrophobicContact CG-CG1 4.1Å; R81-E97 WeakPolarHBondContact CD-O 3.32Å; R81-E97 PolarHBondContact NH1-O 2.89Å; R81-T99 HydrophobicContact CG-CG2 4.15Å; R81-E322 IonicContact NH1-OE1 3.76Å; R81-V335 PolarHBondContact NH2-O 3.41Å
82	K	98.4	Very high	98.3	Very high	177 Å²	177	90.5 Å²	90.5	77%	0.77	49%	0.494	S	S	*	.	S	Bend	trans	-111.6	-8.2	179.4	-69.4	-175.4	178.9	-176.5	0	113	P79	P79-K82 HydrophobicContact CB-CG 4.36Å; P79-K82 HydrophobicContact CG-CD 4.14Å; P79-K82 HydrophobicContact CG-CG 3.52Å
83	D	98.4	Very high	98.3	Very high	82 Å²	82	87.9 Å²	87.9	44%	0.439	48%	0.477	S	S	.	.	S	Bend	trans	-110.9	-8.3	-165.9	55.8	-46.1	0	0	0	112.9	R81	R81-D83 IonicContact CZ-OD1 3.21Å; R81-D83 IonicContact CZ-OD2 2.75Å; R81-D83 IonicContact NE-OD1 2.87Å; R81-D83 PolarHBondContact NE-OD1 2.96Å; R81-D83 IonicContact NE-OD2 2.89Å; R81-D83 PolarHBondContact NE-OD2 2.87Å; R81-D83 IonicContact NH2-OD1 2.7Å; R81-D83 IonicContact NH2-OD2 2.73Å; R81-D83 PolarHBondContact NH2-OD2 3.48Å
84	V	98.7	Very high	98.4	Very high	30 Å²	30	79.8 Å²	79.8	18%	0.182	44%	0.439	C	S	.	.	S	Bend	trans	-143.4	157.9	-177.5	-64.4	0	0	0	0	111.7	R81 V86 W96 V335	R81-V84 HydrophobicContact CB-CG2 3.71Å; R81-V84 HydrophobicContact CG-CG2 4.03Å; V84-V86 HydrophobicContact CG2-CG1 4.09Å; V84-W96 HydrophobicContact CB-CD2 4.34Å; V84-W96 HydrophobicContact CB-CZ2 4.12Å; V84-W96 HydrophobicContact CG1-CD2 4.32Å; V84-W96 HydrophobicContact CG1-CE3 4.38Å; V84-W96 HydrophobicContact CG1-CH2 3.95Å; V84-W96 HydrophobicContact CG1-CZ2 3.9Å; V84-W96 HydrophobicContact CG1-CZ3 4.17Å; V84-W96 HydrophobicContact CG2-CD2 3.94Å; V84-W96 HydrophobicContact CG2-CG 3.94Å; V84-V335 HydrophobicContact CG1-CG2 3.21Å
85	L	98.8	Very high	98.4	Very high	95 Å²	95	75.4 Å²	75.4	50%	0.497	41%	0.411	S	S	.	.			trans	-73	127.5	165.9	-174.2	66.3	0	0	0	109.6	V87 I94 W96 F263	L85-V87 WeakPolarHBondContact CD1-O 3.48Å; L85-V87 VanDerWaalsContact CG-O 3.26Å; L85-V87 WeakPolarHBondContact CG-O 3.37Å; L85-I94 HydrophobicContact CB-CD1 4.11Å; L85-I94 HydrophobicContact CD2-CD1 3.74Å; L85-I94 HydrophobicContact CG-CD1 3.79Å; L85-W96 PolarHBondContact O-NE1 3.09Å; L85-W96 VanDerWaalsContact O-NE1 3.11Å; L85-F263 HydrophobicContact CD2-CZ 4.22Å
86	V	98.8	Very high	98.5	Very high	42 Å²	42	68.2 Å²	68.2	26%	0.255	38%	0.379	S	S	.	.			trans	-110.9	-6.4	-178.5	-61.7	0	0	0	0	113.8	R81 V84 I94 T99	R81-V86 HydrophobicContact CB-CG1 3.76Å; R81-V86 HydrophobicContact CG-CG1 4.1Å; V84-V86 HydrophobicContact CG2-CG1 4.09Å; V86-I94 PolarHBondContact O-N 3.33Å; V86-T99 HydrophobicContact CB-CG2 4.15Å; V86-T99 HydrophobicContact CG1-CG2 3.72Å
87	V	98.8	Very high	98.6	Very high	65 Å²	65	64 Å²	64	39%	0.394	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-146.3	134.7	176.3	64.1	0	0	0	0	109	L85 A92	L85-V87 WeakPolarHBondContact CD1-O 3.48Å; L85-V87 VanDerWaalsContact CG-O 3.26Å; L85-V87 WeakPolarHBondContact CG-O 3.37Å; V87-A92 WeakPolarHBondContact CA-O 3.47Å
88	T	98.9	Very high	98.6	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.025	33%	0.325	C	S	.	.			trans	-74.7	164.4	178	63.4	0	0	0	0	111.5	W90 L91 A92 I94 F263 V318	T88-W90 HydrophobicContact CG2-CD2 4.49Å; T88-W90 HydrophobicContact CG2-CH2 4.01Å; T88-W90 HydrophobicContact CG2-CZ2 3.66Å; T88-W90 PolarHBondContact O-N 3.19Å; T88-W90 VanDerWaalsContact O-N 3.14Å; T88-W90 VanDerWaalsContact OG1-CE2 3.28Å; T88-W90 PolarHBondContact OG1-NE1 3.39Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-A92 HydrophobicContact CG2-CB 4.27Å; T88-A92 WeakPolarHBondContact CG2-O 3.32Å; T88-A92 PolarHBondContact N-O 2.96Å; T88-A92 WeakPolarHBondContact OG1-CA 3.47Å; T88-A92 WeakPolarHBondContact OG1-CB 3.41Å; T88-A92 PolarHBondContact OG1-N 3.47Å; T88-A92 PolarHBondContact OG1-O 3.05Å; T88-A92 VanDerWaalsContact OG1-O 3.06Å; T88-I94 HydrophobicContact CG2-CD1 3.97Å; T88-I94 HydrophobicContact CG2-CG1 3.74Å; T88-F263 HydrophobicContact CG2-CE2 3.84Å; T88-F263 HydrophobicContact CG2-CZ 4.24Å; T88-V318 HydrophobicContact CG2-CG2 3.89Å
89	P	98.8	Very high	98.6	Very high	115 Å²	115	56 Å²	56	75%	0.747	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.5	174.4	-26.3	36.5	0	0	0	115
90	W	98.8	Very high	98.7	Very high	63 Å²	63	55 Å²	55	24%	0.239	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	21	174.4	62.8	88	0	0	0	113	T88 A92 D262 F263 K314 P315 V318	T88-W90 HydrophobicContact CG2-CD2 4.49Å; T88-W90 HydrophobicContact CG2-CH2 4.01Å; T88-W90 HydrophobicContact CG2-CZ2 3.66Å; T88-W90 PolarHBondContact O-N 3.19Å; T88-W90 VanDerWaalsContact O-N 3.14Å; T88-W90 VanDerWaalsContact OG1-CE2 3.28Å; T88-W90 PolarHBondContact OG1-NE1 3.39Å; W90-A92 VanDerWaalsContact C-N 3.26Å; W90-A92 PolarHBondContact O-N 3.34Å; W90-D262 HydrophobicContact CH2-CB 3.75Å; W90-D262 HydrophobicContact CZ3-CB 3.7Å; W90-D262 VanDerWaalsContact CZ3-CG 3.49Å; W90-F263 AromaticContact CH2-CD2 3.9Å; W90-F263 HydrophobicContact CH2-CD2 3.9Å; W90-F263 AromaticContact CH2-CE2 3.64Å; W90-F263 HydrophobicContact CH2-CE2 3.64Å; W90-F263 HydrophobicContact CZ2-CE2 4.38Å; W90-F263 HydrophobicContact CZ3-CE2 4.28Å; W90-K314 HydrophobicContact CD2-CB 4.03Å; W90-K314 HydrophobicContact CD2-CD 4.23Å; W90-K314 HydrophobicContact CD2-CG 4.12Å; W90-K314 HydrophobicContact CE3-CD 4.2Å; W90-K314 HydrophobicContact CE3-CG 4.49Å; W90-K314 HydrophobicContact CG-CB 3.96Å; W90-K314 HydrophobicContact CG-CG 4.19Å; W90-K314 HydrophobicContact CH2-CD 4.46Å; W90-K314 HydrophobicContact CZ2-CB 4.49Å; W90-K314 HydrophobicContact CZ3-CD 4.33Å; W90-P315 HydrophobicContact CZ2-CG 4.09Å; W90-P315 PolarHBondContact NE1-O 2.72Å; W90-V318 HydrophobicContact CZ2-CG2 4.23Å
91	L	98.8	Very high	98.7	Very high	145 Å²	145	54.2 Å²	54.2	76%	0.759	30%	0.295	S	S	*	.	S	Bend	trans	67.3	14	173.7	-50.9	178.6	0	0	0	115.9	T88	T88-L91 PolarHBondContact O-N 3.49Å
92	A	98.8	Very high	98.7	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	30%	0.304	C	S	.	.			trans	-76.7	131.5	167.8	0	0	0	0	0	110.9	V87 T88 W90 P315 T316	V87-A92 WeakPolarHBondContact CA-O 3.47Å; T88-A92 HydrophobicContact CG2-CB 4.27Å; T88-A92 WeakPolarHBondContact CG2-O 3.32Å; T88-A92 PolarHBondContact N-O 2.96Å; T88-A92 WeakPolarHBondContact OG1-CA 3.47Å; T88-A92 WeakPolarHBondContact OG1-CB 3.41Å; T88-A92 PolarHBondContact OG1-N 3.47Å; T88-A92 PolarHBondContact OG1-O 3.05Å; T88-A92 VanDerWaalsContact OG1-O 3.06Å; W90-A92 VanDerWaalsContact C-N 3.26Å; W90-A92 PolarHBondContact O-N 3.34Å; A92-P315 WeakPolarHBondContact CB-O 3.13Å; A92-T316 VanDerWaalsContact CB-C 3.48Å; A92-T316 VanDerWaalsContact CB-O 3.23Å; A92-T316 WeakPolarHBondContact CB-O 3.44Å
93	P	98.9	Very high	98.7	Very high	61 Å²	61	51.9 Å²	51.9	40%	0.396	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-60.2	140.8	172.9	-22.9	33.1	0	0	0	112.2	T316 K317 V318	P93-T316 WeakPolarHBondContact CD-O 3.2Å; P93-K317 HydrophobicContact CG-CG 4.42Å; P93-K317 WeakPolarHBondContact O-CA 3.15Å; P93-V318 PolarHBondContact O-N 3.39Å
94	I	98.9	Very high	98.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.3	163.6	-47.8	-174.4	0	0	0	107.4	L85 V86 T88 W96 L232 F263 V318	L85-I94 HydrophobicContact CB-CD1 4.11Å; L85-I94 HydrophobicContact CD2-CD1 3.74Å; L85-I94 HydrophobicContact CG-CD1 3.79Å; V86-I94 PolarHBondContact O-N 3.33Å; T88-I94 HydrophobicContact CG2-CD1 3.97Å; T88-I94 HydrophobicContact CG2-CG1 3.74Å; I94-W96 VanDerWaalsContact CG2-NE1 3.26Å; I94-W96 VanDerWaalsContact O-CD1 3.27Å; I94-W96 PolarHBondContact O-N 2.98Å; I94-L232 HydrophobicContact CG2-CD1 4.31Å; I94-F263 HydrophobicContact CD1-CE1 4.37Å; I94-F263 HydrophobicContact CD1-CZ 3.86Å; I94-V318 CarbonylContact C-O 3.57Å; I94-V318 WeakPolarHBondContact CA-O 3.45Å; I94-V318 HydrophobicContact CG1-CB 4.27Å; I94-V318 HydrophobicContact CG2-CB 4.38Å; I94-V318 HydrophobicContact CG2-CG1 4.3Å
95	V	98.9	Very high	98.7	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	107.3	-169.9	-172.7	0	0	0	0	110.1	F100 E223 K317 V318 L319 S320 Y323	V95-F100 HydrophobicContact CG1-CD1 4.04Å; V95-F100 HydrophobicContact CG1-CE1 4Å; V95-E223 HydrophobicContact CG1-CB 4.35Å; V95-E223 HydrophobicContact CG1-CG 3.78Å; V95-K317 HydrophobicContact CG2-CB 4.4Å; V95-K317 HydrophobicContact CG2-CD 4.14Å; V95-V318 PolarHBondContact N-O 3.47Å; V95-L319 HydrophobicContact CB-CD2 3.92Å; V95-L319 HydrophobicContact CG2-CD2 3.76Å; V95-S320 WeakPolarHBondContact O-CB 3.37Å; V95-S320 PolarHBondContact O-N 3.31Å; V95-S320 VanDerWaalsContact O-N 3.16Å; V95-S320 PolarHBondContact O-OG 2.63Å; V95-Y323 HydrophobicContact CB-CE2 4.21Å; V95-Y323 HydrophobicContact CG1-CE2 3.81Å; V95-Y323 WeakPolarHBondContact CG1-OH 3.34Å
96	W	98.9	Very high	98.7	Very high	9 Å²	9	46.7 Å²	46.7	3%	0.034	26%	0.262	C	S	.	.			trans	-123.8	154.2	174.3	-66.3	93.4	0	0	0	110.5	V84 L85 I94 G98 T99 P321 E322 V335 L336	V84-W96 HydrophobicContact CB-CD2 4.34Å; V84-W96 HydrophobicContact CB-CZ2 4.12Å; V84-W96 HydrophobicContact CG1-CD2 4.32Å; V84-W96 HydrophobicContact CG1-CE3 4.38Å; V84-W96 HydrophobicContact CG1-CH2 3.95Å; V84-W96 HydrophobicContact CG1-CZ2 3.9Å; V84-W96 HydrophobicContact CG1-CZ3 4.17Å; V84-W96 HydrophobicContact CG2-CD2 3.94Å; V84-W96 HydrophobicContact CG2-CG 3.94Å; L85-W96 PolarHBondContact O-NE1 3.09Å; L85-W96 VanDerWaalsContact O-NE1 3.11Å; I94-W96 VanDerWaalsContact CG2-NE1 3.26Å; I94-W96 VanDerWaalsContact O-CD1 3.27Å; I94-W96 PolarHBondContact O-N 2.98Å; W96-G98 PolarHBondContact O-N 3.29Å; W96-T99 HydrophobicContact CB-CG2 3.85Å; W96-T99 PolarHBondContact N-OG1 2.88Å; W96-T99 WeakPolarHBondContact O-CB 3.4Å; W96-T99 WeakPolarHBondContact O-CG2 3.49Å; W96-T99 PolarHBondContact O-N 3.11Å; W96-T99 PolarHBondContact O-OG1 3.17Å; W96-P321 VanDerWaalsContact CH2-CD 3.49Å; W96-P321 HydrophobicContact CH2-CG 4.37Å; W96-E322 HydrophobicContact CE3-CG 4.12Å; W96-E322 HydrophobicContact CZ3-CG 4.38Å; W96-V335 HydrophobicContact CH2-CG2 4.35Å; W96-V335 HydrophobicContact CZ3-CG2 4.22Å; W96-L336 HydrophobicContact CH2-CD2 4.45Å; W96-L336 HydrophobicContact CZ3-CD2 3.81Å
97	E	98.8	Very high	98.7	Very high	52 Å²	52	46.7 Å²	46.7	24%	0.243	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.9	170.3	-175.4	56.7	-157	0	0	111.2	R81 E322 R337 K338 R340	R81-E97 WeakPolarHBondContact CD-O 3.32Å; R81-E97 PolarHBondContact NH1-O 2.89Å; E97-E322 WeakPolarHBondContact CB-OE1 3.34Å; E97-E322 WeakPolarHBondContact CB-OE2 3.14Å; E97-E322 PolarHBondContact N-OE1 2.81Å; E97-E322 PolarHBondContact N-OE2 3.43Å; E97-R337 HydrophobicContact CB-CB 3.89Å; E97-R337 HydrophobicContact CG-CB 3.96Å; E97-K338 HydrophobicContact CB-CD 4.45Å; E97-K338 VanDerWaalsContact CD-CE 3.48Å; E97-K338 HydrophobicContact CG-CD 4.02Å; E97-K338 HydrophobicContact CG-CG 4.29Å; E97-K338 WeakPolarHBondContact OE2-CD 3.15Å; E97-K338 WeakPolarHBondContact OE2-CE 3.25Å; E97-R340 IonicContact OE2-CZ 3.48Å; E97-R340 IonicContact OE2-NH1 3.49Å; E97-R340 IonicContact OE2-NH2 2.91Å; E97-R340 PolarHBondContact OE2-NH2 2.98Å
98	G	98.3	Very high	98.6	Very high	34 Å²	34	47.2 Å²	47.2	35%	0.351	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-2.6	-175.6	0	0	0	0	0	115.3	C80 W96	C80-G98 WeakPolarHBondContact CB-O 3.38Å; W96-G98 PolarHBondContact O-N 3.29Å
99	T	98.8	Very high	98.5	Very high	47 Å²	47	48 Å²	48	29%	0.288	26%	0.261	S	S	.	.	S	Bend	trans	-90.4	-12.3	177.7	62.5	0	0	0	0	114.2	R81 V86 W96	R81-T99 HydrophobicContact CG-CG2 4.15Å; V86-T99 HydrophobicContact CB-CG2 4.15Å; V86-T99 HydrophobicContact CG1-CG2 3.72Å; W96-T99 HydrophobicContact CB-CG2 3.85Å; W96-T99 PolarHBondContact N-OG1 2.88Å; W96-T99 WeakPolarHBondContact O-CB 3.4Å; W96-T99 WeakPolarHBondContact O-CG2 3.49Å; W96-T99 PolarHBondContact O-N 3.11Å; W96-T99 PolarHBondContact O-OG1 3.17Å
100	F	98.7	Very high	98.4	Very high	48 Å²	48	48.2 Å²	48.2	21%	0.211	25%	0.247	C	C	.	.			trans	-133.7	155.7	-176.6	59.2	-88.2	0	0	0	111.6	V95 I102 L105 E223	V95-F100 HydrophobicContact CG1-CD1 4.04Å; V95-F100 HydrophobicContact CG1-CE1 4Å; F100-I102 HydrophobicContact CD2-CB 4.2Å; F100-I102 HydrophobicContact CD2-CD1 4.46Å; F100-I102 HydrophobicContact CE2-CB 4.12Å; F100-I102 HydrophobicContact CE2-CD1 4.28Å; F100-L105 HydrophobicContact CB-CD1 3.77Å; F100-L105 HydrophobicContact CD2-CD1 4.1Å; F100-L105 HydrophobicContact CG-CD1 4.23Å; F100-E223 HydrophobicContact CD1-CB 4.12Å; F100-E223 HydrophobicContact CD1-CG 4.16Å; F100-E223 HydrophobicContact CD2-CB 3.88Å; F100-E223 HydrophobicContact CD2-CG 4.26Å; F100-E223 HydrophobicContact CE1-CB 4.32Å; F100-E223 HydrophobicContact CE1-CG 3.86Å; F100-E223 HydrophobicContact CE2-CB 4.07Å; F100-E223 HydrophobicContact CE2-CG 3.96Å; F100-E223 HydrophobicContact CG-CB 3.92Å; F100-E223 HydrophobicContact CG-CG 4.36Å; F100-E223 HydrophobicContact CZ-CB 4.29Å; F100-E223 HydrophobicContact CZ-CG 3.76Å
101	N	98.7	Very high	98.3	Very high	49 Å²	49	48.2 Å²	48.2	26%	0.262	25%	0.251	S	S	.	.			trans	-105.3	112.3	165.3	-179.3	-41.6	0	0	0	107.7	D103 I104 L105	N101-D103 VanDerWaalsContact C-N 3.3Å; N101-D103 PolarHBondContact O-N 2.72Å; N101-D103 WeakPolarHBondContact OD1-CB 3.36Å; N101-D103 PolarHBondContact OD1-N 2.76Å; N101-I104 HydrophobicContact CB-CB 4.49Å; N101-I104 HydrophobicContact CB-CD1 3.93Å; N101-I104 HydrophobicContact CB-CG1 4.16Å; N101-I104 PolarHBondContact O-N 3.14Å; N101-I104 PolarHBondContact OD1-N 3.06Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 2.96Å
102	I	98.6	Very high	98.1	Very high	42 Å²	42	45 Å²	45	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-68.6	-28.2	-173	-166.8	54.6	0	0	0	112.9	F100 L105 N106 H219 V222 E223	F100-I102 HydrophobicContact CD2-CB 4.2Å; F100-I102 HydrophobicContact CD2-CD1 4.46Å; F100-I102 HydrophobicContact CE2-CB 4.12Å; F100-I102 HydrophobicContact CE2-CD1 4.28Å; I102-L105 PolarHBondContact O-N 3.28Å; I102-N106 WeakPolarHBondContact O-CB 3.32Å; I102-N106 PolarHBondContact O-N 3.47Å; I102-N106 PolarHBondContact O-ND2 3.45Å; I102-H219 WeakPolarHBondContact CD1-NE2 3.36Å; I102-V222 HydrophobicContact CD1-CG2 4.21Å; I102-E223 WeakPolarHBondContact CD1-OE2 3.48Å
103	D	98.4	Very high	98.1	Very high	96 Å²	96	49.9 Å²	49.9	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-43.9	179.5	-58.1	-39.7	0	0	0	110.7	M69 N101 N106 E107	M69-D103 HydrophobicContact CE-CB 3.85Å; N101-D103 VanDerWaalsContact C-N 3.3Å; N101-D103 PolarHBondContact O-N 2.72Å; N101-D103 WeakPolarHBondContact OD1-CB 3.36Å; N101-D103 PolarHBondContact OD1-N 2.76Å; D103-N106 PolarHBondContact O-N 3.42Å; D103-E107 PolarHBondContact O-N 3.2Å
104	I	98.4	Very high	98	Very high	37 Å²	37	47.1 Å²	47.1	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-47.1	178	-60.1	176.9	0	0	0	110	M69 Y71 N101 E107 Q108	M69-I104 HydrophobicContact CE-CG1 4.18Å; M69-I104 HydrophobicContact SD-CG1 4.35Å; Y71-I104 HydrophobicContact CD1-CD1 4.01Å; Y71-I104 HydrophobicContact CD1-CG1 4.14Å; Y71-I104 HydrophobicContact CD2-CD1 4.23Å; Y71-I104 HydrophobicContact CE1-CD1 3.74Å; Y71-I104 HydrophobicContact CE1-CG1 4.02Å; Y71-I104 HydrophobicContact CE2-CD1 3.99Å; Y71-I104 HydrophobicContact CG-CD1 4.25Å; N101-I104 HydrophobicContact CB-CB 4.49Å; N101-I104 HydrophobicContact CB-CD1 3.93Å; N101-I104 HydrophobicContact CB-CG1 4.16Å; N101-I104 PolarHBondContact O-N 3.14Å; N101-I104 PolarHBondContact OD1-N 3.06Å; I104-E107 PolarHBondContact O-N 2.54Å; I104-Q108 WeakPolarHBondContact O-CG 3.45Å; I104-Q108 PolarHBondContact O-N 3Å
105	L	98.5	Very high	98	Very high	29 Å²	29	47.9 Å²	47.9	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-43.1	179.1	-64.1	174.4	0	0	0	111.3	F100 N101 I102 E107 Q108 F109 V222 E223	F100-L105 HydrophobicContact CB-CD1 3.77Å; F100-L105 HydrophobicContact CD2-CD1 4.1Å; F100-L105 HydrophobicContact CG-CD1 4.23Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 2.96Å; I102-L105 PolarHBondContact O-N 3.28Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.49Å; L105-Q108 PolarHBondContact O-N 3.14Å; L105-F109 WeakPolarHBondContact O-CD2 3.5Å; L105-F109 PolarHBondContact O-N 2.94Å; L105-V222 HydrophobicContact CB-CG2 3.84Å; L105-E223 HydrophobicContact CD1-CB 3.6Å
106	N	98.6	Very high	98	Very high	31 Å²	31	47.6 Å²	47.6	17%	0.166	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-42.3	177	-83.1	-25.6	0	0	0	112	I102 D103 R110 H145 V222	I102-N106 WeakPolarHBondContact O-CB 3.32Å; I102-N106 PolarHBondContact O-N 3.47Å; I102-N106 PolarHBondContact O-ND2 3.45Å; D103-N106 PolarHBondContact O-N 3.42Å; N106-R110 WeakPolarHBondContact O-CB 3.47Å; N106-R110 WeakPolarHBondContact O-CG 3.39Å; N106-R110 PolarHBondContact O-N 3.45Å; N106-R110 PolarHBondContact O-NE 3.15Å; N106-H145 PolarHBondContact OD1-NE2 3.28Å; N106-V222 WeakPolarHBondContact OD1-CG2 3.37Å
107	E	97.8	Very high	98	Very high	42 Å²	42	47.1 Å²	47.1	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-47.2	174.2	-73.1	-62.2	154.6	0	0	111.4	L66 P67 M69 D103 I104 L105 F109 R110 L111	L66-E107 HydrophobicContact CD2-CB 3.67Å; P67-E107 HydrophobicContact CG-CG 4.41Å; M69-E107 HydrophobicContact CE-CG 3.81Å; M69-E107 HydrophobicContact SD-CB 4.42Å; M69-E107 HydrophobicContact SD-CG 3.97Å; D103-E107 PolarHBondContact O-N 3.2Å; I104-E107 PolarHBondContact O-N 2.54Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.49Å; E107-F109 PolarHBondContact O-N 2.92Å; E107-R110 PolarHBondContact O-N 3.01Å; E107-R110 IonicContact OE1-CZ 2.88Å; E107-R110 IonicContact OE1-NH1 3.56Å; E107-R110 IonicContact OE1-NH2 2.72Å; E107-R110 PolarHBondContact OE1-NH2 2.92Å; E107-R110 IonicContact OE2-NH2 3.72Å; E107-L111 WeakPolarHBondContact O-CB 3.46Å; E107-L111 VanDerWaalsContact O-CG 3.24Å; E107-L111 WeakPolarHBondContact O-CG 3.44Å; E107-L111 PolarHBondContact O-N 2.91Å
108	Q	97	Very high	98	Very high	76 Å²	76	44.7 Å²	44.7	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-56.6	-47.1	-179.8	-73.2	176	-32.3	0	0	113	L66 I104 L105 Q112	L66-Q108 HydrophobicContact CD1-CG 4.22Å; L66-Q108 HydrophobicContact CD2-CG 3.89Å; I104-Q108 WeakPolarHBondContact O-CG 3.45Å; I104-Q108 PolarHBondContact O-N 3Å; L105-Q108 PolarHBondContact O-N 3.14Å; Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-NE2 2.98Å; Q108-Q112 VanDerWaalsContact O-NE2 3.13Å
109	F	97.6	Very high	98	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.088	21%	0.213	C	C	.	.	H	α-helix	trans	-81.3	-28.9	-177.7	-75.5	-83.5	0	0	0	113.1	L105 E107 Q112 N113 T114 Y206 V222 L225	L105-F109 WeakPolarHBondContact O-CD2 3.5Å; L105-F109 PolarHBondContact O-N 2.94Å; E107-F109 PolarHBondContact O-N 2.92Å; F109-Q112 PolarHBondContact O-N 3.32Å; F109-N113 PolarHBondContact O-N 3.46Å; F109-T114 HydrophobicContact CD1-CG2 4.09Å; F109-T114 WeakPolarHBondContact CD1-OG1 3.33Å; F109-T114 WeakPolarHBondContact O-CB 3.49Å; F109-T114 PolarHBondContact O-N 2.79Å; F109-T114 VanDerWaalsContact O-N 3.17Å; F109-T114 PolarHBondContact O-OG1 3.42Å; F109-Y206 HydrophobicContact CE1-CE2 4.09Å; F109-V222 HydrophobicContact CB-CB 4.18Å; F109-V222 HydrophobicContact CB-CG1 3.95Å; F109-V222 HydrophobicContact CB-CG2 4.47Å; F109-V222 HydrophobicContact CD2-CB 3.63Å; F109-V222 HydrophobicContact CD2-CG1 4.33Å; F109-V222 HydrophobicContact CD2-CG2 3.87Å; F109-V222 HydrophobicContact CE2-CB 4.17Å; F109-V222 HydrophobicContact CG-CB 3.94Å; F109-V222 HydrophobicContact CG-CG1 4.14Å; F109-V222 HydrophobicContact CG-CG2 4.44Å; F109-L225 HydrophobicContact CD1-CD1 3.97Å; F109-L225 HydrophobicContact CE1-CB 3.8Å; F109-L225 HydrophobicContact CE1-CD1 3.98Å; F109-L225 HydrophobicContact CZ-CB 3.8Å
110	R	96.4	Very high	98	Very high	121 Å²	121	40.9 Å²	40.9	46%	0.457	20%	0.199	S	C	.	.	H	α-helix	trans	-68.8	-38.4	172.9	-79.6	-173.6	-69.1	147.9	-2.8	112.4	N106 E107 Q112 N113	N106-R110 WeakPolarHBondContact O-CB 3.47Å; N106-R110 WeakPolarHBondContact O-CG 3.39Å; N106-R110 PolarHBondContact O-N 3.45Å; N106-R110 PolarHBondContact O-NE 3.15Å; E107-R110 PolarHBondContact O-N 3.01Å; E107-R110 IonicContact OE1-CZ 2.88Å; E107-R110 IonicContact OE1-NH1 3.56Å; E107-R110 IonicContact OE1-NH2 2.72Å; E107-R110 PolarHBondContact OE1-NH2 2.92Å; E107-R110 IonicContact OE2-NH2 3.72Å; R110-Q112 PolarHBondContact O-N 2.91Å; R110-N113 WeakPolarHBondContact O-CA 3.32Å; R110-N113 PolarHBondContact O-N 3.4Å
111	L	96.3	Very high	98	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.325	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-24.4	176	-71.9	168.6	0	0	0	112.7	V64 L66 E107 N113	V64-L111 HydrophobicContact CB-CB 4.15Å; V64-L111 HydrophobicContact CB-CD1 4.29Å; V64-L111 HydrophobicContact CG1-CB 4.02Å; V64-L111 HydrophobicContact CG1-CD1 3.86Å; V64-L111 HydrophobicContact CG1-CD2 3.62Å; V64-L111 HydrophobicContact CG1-CG 4.02Å; L66-L111 HydrophobicContact CD2-CD1 3.81Å; E107-L111 WeakPolarHBondContact O-CB 3.46Å; E107-L111 VanDerWaalsContact O-CG 3.24Å; E107-L111 WeakPolarHBondContact O-CG 3.44Å; E107-L111 PolarHBondContact O-N 2.91Å; L111-N113 VanDerWaalsContact C-N 3.33Å
112	Q	95.4	Very high	98	Very high	79 Å²	79	37 Å²	37	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.5	173.6	-64.5	171.7	43.5	0	0	113	L61 Q108 F109 R110 T114	L61-Q112 HydrophobicContact CD2-CG 4.07Å; Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-NE2 2.98Å; Q108-Q112 VanDerWaalsContact O-NE2 3.13Å; F109-Q112 PolarHBondContact O-N 3.32Å; R110-Q112 PolarHBondContact O-N 2.91Å; Q112-T114 PolarHBondContact O-N 2.62Å
113	N	97.1	Very high	98	Very high	105 Å²	105	35.4 Å²	35.4	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.9	-174.7	-169.3	42.3	0	0	0	113	F109 R110 L111 T115 R146	F109-N113 PolarHBondContact O-N 3.46Å; R110-N113 WeakPolarHBondContact O-CA 3.32Å; R110-N113 PolarHBondContact O-N 3.4Å; L111-N113 VanDerWaalsContact C-N 3.33Å; N113-T115 PolarHBondContact O-N 3.03Å; N113-R146 VanDerWaalsContact OD1-CD 3.29Å; N113-R146 WeakPolarHBondContact OD1-CD 3.07Å
114	T	98.1	Very high	97.9	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	16%	0.16	C	C	.	.			trans	-59.3	132.4	-171.8	-52.4	0	0	0	0	111.8	F109 Q112 I116 D205 Y206 L225	F109-T114 HydrophobicContact CD1-CG2 4.09Å; F109-T114 WeakPolarHBondContact CD1-OG1 3.33Å; F109-T114 WeakPolarHBondContact O-CB 3.49Å; F109-T114 PolarHBondContact O-N 2.79Å; F109-T114 VanDerWaalsContact O-N 3.17Å; F109-T114 PolarHBondContact O-OG1 3.42Å; Q112-T114 PolarHBondContact O-N 2.62Å; T114-I116 HydrophobicContact CG2-CD1 4Å; T114-I116 HydrophobicContact CG2-CG1 4.32Å; T114-D205 WeakPolarHBondContact CA-OD2 3.45Å; T114-D205 HydrophobicContact CG2-CB 4.28Å; T114-Y206 HydrophobicContact CG2-CD2 3.69Å; T114-Y206 HydrophobicContact CG2-CE2 3.9Å; T114-L225 HydrophobicContact CG2-CD1 4.09Å
115	T	98.9	Very high	97.8	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127	173	-51.9	0	0	0	0	110.4	N113 R146 V204 D205 Y206	N113-T115 PolarHBondContact O-N 3.03Å; T115-R146 WeakPolarHBondContact CA-O 3.34Å; T115-R146 HydrophobicContact CG2-CB 3.86Å; T115-R146 WeakPolarHBondContact OG1-CD 3.28Å; T115-R146 PolarHBondContact OG1-NE 3.24Å; T115-R146 VanDerWaalsContact OG1-NE 3.07Å; T115-V204 HydrophobicContact CG2-CG1 3.95Å; T115-D205 PolarHBondContact N-OD2 2.99Å; T115-D205 PolarHBondContact O-N 2.77Å; T115-Y206 PolarHBondContact O-N 2.75Å
116	I	98.9	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.2	-175.8	-54.9	84.9	0	0	0	110	T114 F141 M142 H145 R146 V147 H148 V208 L225	T114-I116 HydrophobicContact CG2-CD1 4Å; T114-I116 HydrophobicContact CG2-CG1 4.32Å; I116-F141 HydrophobicContact CG2-CE1 4.2Å; I116-F141 HydrophobicContact CG2-CZ 3.83Å; I116-M142 HydrophobicContact CB-CG 4.29Å; I116-M142 HydrophobicContact CD1-CB 4.43Å; I116-M142 HydrophobicContact CD1-CG 4.35Å; I116-M142 HydrophobicContact CD1-SD 4.26Å; I116-M142 HydrophobicContact CG1-CE 4.5Å; I116-M142 HydrophobicContact CG1-CG 4.2Å; I116-M142 HydrophobicContact CG1-SD 4.1Å; I116-M142 HydrophobicContact CG2-CE 4.3Å; I116-M142 HydrophobicContact CG2-CG 4.26Å; I116-H145 HydrophobicContact CD1-CB 3.84Å; I116-R146 PolarHBondContact N-O 3.27Å; I116-V147 VanDerWaalsContact O-CA 3.31Å; I116-V147 WeakPolarHBondContact O-CA 3.35Å; I116-H148 PolarHBondContact O-N 3.17Å; I116-V208 HydrophobicContact CG2-CG2 3.97Å; I116-L225 HydrophobicContact CD1-CD1 4.21Å; I116-L225 HydrophobicContact CG1-CD1 3.77Å; I116-L225 HydrophobicContact CG1-CD2 4.16Å; I116-L225 HydrophobicContact CG2-CD2 4.34Å
117	G	98.9	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.6	169.5	0	0	0	0	0	111.6	H148 Y206 L207 V208	G117-H148 CarbonylContact C-O 3.54Å; G117-H148 VanDerWaalsContact CA-O 3.28Å; G117-H148 WeakPolarHBondContact CA-O 3.49Å; G117-Y206 PolarHBondContact N-O 2.84Å; G117-L207 CarbonylContact O-C 3.46Å; G117-L207 WeakPolarHBondContact O-CA 3.38Å; G117-V208 PolarHBondContact O-N 3.25Å
118	L	98.9	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.3	172.2	-175.9	65	0	0	0	109.4	F133 F141 H148 Y149 Y150 V208 V210 F216	L118-F133 HydrophobicContact CD2-CE1 3.94Å; L118-F133 HydrophobicContact CD2-CZ 3.8Å; L118-F133 HydrophobicContact CG-CZ 4.34Å; L118-F141 HydrophobicContact CB-CE1 3.81Å; L118-F141 HydrophobicContact CB-CZ 4.08Å; L118-F141 HydrophobicContact CD1-CE1 4.31Å; L118-F141 HydrophobicContact CD1-CE2 4.1Å; L118-F141 HydrophobicContact CD1-CZ 3.87Å; L118-F141 HydrophobicContact CD2-CD1 3.98Å; L118-F141 HydrophobicContact CD2-CE1 4Å; L118-F141 HydrophobicContact CD2-CG 4.3Å; L118-F141 HydrophobicContact CD2-CZ 4.32Å; L118-F141 HydrophobicContact CG-CE1 4.26Å; L118-F141 HydrophobicContact CG-CZ 4.31Å; L118-H148 PolarHBondContact N-O 3.29Å; L118-Y149 HydrophobicContact CB-CD1 4.02Å; L118-Y149 HydrophobicContact CB-CE1 4.47Å; L118-Y149 HydrophobicContact CD2-CD1 3.78Å; L118-Y149 HydrophobicContact CD2-CE1 3.68Å; L118-Y149 HydrophobicContact CG-CD1 4.36Å; L118-Y150 PolarHBondContact O-N 3.4Å; L118-V208 WeakPolarHBondContact CA-O 3.5Å; L118-V208 HydrophobicContact CD1-CB 3.81Å; L118-V208 HydrophobicContact CD1-CG1 3.63Å; L118-V210 HydrophobicContact CD1-CG1 4.37Å; L118-V210 HydrophobicContact CD1-CG2 3.71Å; L118-V210 HydrophobicContact CG-CG2 4.4Å; L118-F216 HydrophobicContact CD2-CZ 4.38Å
119	T	98.9	Very high	97.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.1	177.5	68	0	0	0	0	110.5	Y150 F152 F200 L207 V208 C209 V210	T119-Y150 WeakPolarHBondContact CA-O 3.13Å; T119-Y150 HydrophobicContact CG2-CD2 4.27Å; T119-F152 HydrophobicContact CG2-CE2 4.15Å; T119-F200 HydrophobicContact CG2-CE2 4.1Å; T119-F200 HydrophobicContact CG2-CZ 3.82Å; T119-L207 HydrophobicContact CG2-CD2 3.92Å; T119-V208 PolarHBondContact N-O 3.27Å; T119-C209 WeakPolarHBondContact OG1-CA 3.32Å; T119-C209 WeakPolarHBondContact OG1-CB 3.26Å; T119-C209 PolarHBondContact OG1-SG 3.29Å; T119-V210 PolarHBondContact O-N 3.07Å
120	V	98.8	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.1	178.8	63.5	0	0	0	0	110.3	L130 F133 Y150 V151 F152 V212	V120-L130 HydrophobicContact CG1-CD2 4.39Å; V120-F133 HydrophobicContact CB-CE1 3.98Å; V120-F133 HydrophobicContact CB-CZ 3.99Å; V120-F133 HydrophobicContact CG1-CD1 4.48Å; V120-F133 HydrophobicContact CG1-CE1 3.92Å; V120-F133 HydrophobicContact CG1-CZ 4.44Å; V120-F133 HydrophobicContact CG2-CD1 4.34Å; V120-F133 HydrophobicContact CG2-CE1 3.96Å; V120-F133 HydrophobicContact CG2-CE2 4.18Å; V120-F133 HydrophobicContact CG2-CZ 3.87Å; V120-Y150 PolarHBondContact N-O 3.46Å; V120-V151 HydrophobicContact CG1-CB 4.48Å; V120-V151 HydrophobicContact CG1-CG2 3.95Å; V120-F152 PolarHBondContact O-N 2.91Å; V120-V212 HydrophobicContact CG2-CB 3.35Å; V120-V212 HydrophobicContact CG2-CG2 3.52Å
121	F	98.7	Very high	98	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	-179.1	-73.7	-100.4	0	0	0	110.8	F152 R188 M191 I192 V212	F121-F152 HydrophobicContact CD1-CB 3.34Å; F121-F152 AromaticContact CD1-CG 3.93Å; F121-F152 HydrophobicContact CD1-CG 3.93Å; F121-F152 HydrophobicContact CD2-CB 4.36Å; F121-F152 HydrophobicContact CD2-CD2 4.3Å; F121-F152 HydrophobicContact CD2-CG 4.5Å; F121-F152 HydrophobicContact CE1-CB 3.38Å; F121-F152 AromaticContact CE1-CD1 3.68Å; F121-F152 HydrophobicContact CE1-CD1 3.68Å; F121-F152 HydrophobicContact CE1-CD2 4.04Å; F121-F152 HydrophobicContact CE1-CE1 4.4Å; F121-F152 AromaticContact CE1-CG 3.44Å; F121-F152 HydrophobicContact CE1-CG 3.44Å; F121-F152 VanDerWaalsContact CE1-CG 3.44Å; F121-F152 HydrophobicContact CE2-CB 4.4Å; F121-F152 AromaticContact CE2-CD2 3.81Å; F121-F152 HydrophobicContact CE2-CD2 3.81Å; F121-F152 HydrophobicContact CE2-CE2 4.22Å; F121-F152 HydrophobicContact CE2-CG 4.09Å; F121-F152 HydrophobicContact CG-CB 3.86Å; F121-F152 HydrophobicContact CG-CG 4.42Å; F121-F152 HydrophobicContact CZ-CB 3.94Å; F121-F152 AromaticContact CZ-CD1 3.81Å; F121-F152 HydrophobicContact CZ-CD1 3.81Å; F121-F152 AromaticContact CZ-CD2 3.67Å; F121-F152 HydrophobicContact CZ-CD2 3.67Å; F121-F152 HydrophobicContact CZ-CE1 4.15Å; F121-F152 HydrophobicContact CZ-CE2 4.03Å; F121-F152 AromaticContact CZ-CG 3.54Å; F121-F152 HydrophobicContact CZ-CG 3.54Å; F121-F152 HydrophobicContact CZ-CZ 4.24Å; F121-R188 HydrophobicContact CB-CG 4.28Å; F121-R188 HydrophobicContact CD1-CG 3.85Å; F121-R188 HydrophobicContact CD2-CB 4.08Å; F121-R188 HydrophobicContact CD2-CG 3.62Å; F121-R188 HydrophobicContact CE1-CB 4.36Å; F121-R188 HydrophobicContact CE1-CG 4.07Å; F121-R188 HydrophobicContact CE2-CB 3.8Å; F121-R188 HydrophobicContact CE2-CG 3.85Å; F121-R188 HydrophobicContact CG-CB 4.48Å; F121-R188 HydrophobicContact CG-CG 3.63Å; F121-R188 HydrophobicContact CZ-CB 3.95Å; F121-R188 HydrophobicContact CZ-CG 4.07Å; F121-M191 HydrophobicContact CD1-SD 4.38Å; F121-M191 HydrophobicContact CE1-CB 3.93Å; F121-M191 HydrophobicContact CE1-CG 4.38Å; F121-M191 HydrophobicContact CE1-SD 3.57Å; F121-M191 VanDerWaalsContact CE1-SD 3.57Å; F121-M191 HydrophobicContact CZ-CB 3.88Å; F121-M191 HydrophobicContact CZ-SD 4.45Å; F121-I192 HydrophobicContact CE2-CD1 3.98Å; F121-I192 HydrophobicContact CE2-CG1 3.83Å; F121-I192 HydrophobicContact CZ-CG1 4.03Å; F121-V212 WeakPolarHBondContact O-CB 3.33Å; F121-V212 WeakPolarHBondContact O-CG1 3.45Å
122	A	98.1	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	80.1	179.2	0	0	0	0	0	109.5	V127 L130 F152 T153 V212	A122-V127 HydrophobicContact CB-CG1 4.22Å; A122-V127 WeakPolarHBondContact O-CG1 3.35Å; A122-L130 HydrophobicContact CB-CD1 3.51Å; A122-L130 HydrophobicContact CB-CD2 3.67Å; A122-L130 HydrophobicContact CB-CG 3.5Å; A122-F152 PolarHBondContact N-O 2.76Å; A122-T153 WeakPolarHBondContact O-CA 3.01Å; A122-T153 VanDerWaalsContact O-CB 3.29Å; A122-T153 WeakPolarHBondContact O-CB 3.19Å; A122-T153 PolarHBondContact O-OG1 3.4Å; A122-V212 HydrophobicContact CB-CG2 4.31Å
123	I	97.7	Very high	98.3	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.041	16%	0.16	C	C	.	.			trans	-104.2	135.8	-174	-57.5	-67.5	0	0	0	109.9	K125 Y126 D154 V175 A177 V184	I123-K125 PolarHBondContact O-N 3.22Å; I123-Y126 WeakPolarHBondContact O-CB 3.24Å; I123-Y126 PolarHBondContact O-N 3.25Å; I123-D154 WeakPolarHBondContact CA-OD1 3.47Å; I123-D154 HydrophobicContact CD1-CB 4.36Å; I123-V175 HydrophobicContact CD1-CG2 3.62Å; I123-A177 HydrophobicContact CG2-CB 3.81Å; I123-V184 HydrophobicContact CB-CG1 3.8Å; I123-V184 HydrophobicContact CG1-CG1 3.99Å; I123-V184 HydrophobicContact CG2-CG1 3.98Å; I123-V184 HydrophobicContact CG2-CG2 4.02Å
124	K	96.3	Very high	98.4	Very high	57 Å²	57	25.7 Å²	25.7	25%	0.248	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	55.5	-128.8	-176	-56	169	-168.7	173.1	0	111.4	Y126 V127 D154 Q155 A177 Y178 K179	K124-Y126 PolarHBondContact O-N 3.47Å; K124-Y126 VanDerWaalsContact O-N 3.1Å; K124-V127 WeakPolarHBondContact O-CG2 3.41Å; K124-V127 PolarHBondContact O-N 3.13Å; K124-D154 PolarHBondContact N-OD1 3.09Å; K124-D154 PolarHBondContact N-OD2 2.85Å; K124-Q155 PolarHBondContact O-NE2 2.93Å; K124-A177 HydrophobicContact CG-CB 4.31Å; K124-Y178 WeakPolarHBondContact CE-O 3.37Å; K124-Y178 PolarHBondContact NZ-O 3.12Å; K124-K179 PolarHBondContact NZ-O 3.49Å
125	K	97.5	Very high	98.4	Very high	86 Å²	86	28.9 Å²	28.9	37%	0.374	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-64.6	-13.7	-177.8	-64.6	-179.2	176.3	177.5	0	113.6	I123 V127 A128 A350 V351 N353 P354	I123-K125 PolarHBondContact O-N 3.22Å; K125-V127 PolarHBondContact O-N 3.42Å; K125-A128 WeakPolarHBondContact O-CB 3.38Å; K125-A128 PolarHBondContact O-N 3.48Å; K125-A350 WeakPolarHBondContact CD-O 3.31Å; K125-A350 PolarHBondContact NZ-O 3.36Å; K125-A350 VanDerWaalsContact NZ-O 3.12Å; K125-V351 HydrophobicContact CB-CG2 4.05Å; K125-N353 VanDerWaalsContact CE-O 3.25Å; K125-N353 WeakPolarHBondContact CE-O 3.27Å; K125-N353 PolarHBondContact NZ-O 3.36Å; K125-P354 VanDerWaalsContact CE-OXT 3.26Å; K125-P354 WeakPolarHBondContact CE-OXT 3.41Å; K125-P354 PolarHBondContact NZ-OXT 2.64Å
126	Y	97.7	Very high	98.4	Very high	38 Å²	38	28.6 Å²	28.6	15%	0.149	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-70.6	-11.5	179.7	-77.1	-101.9	0	0	0	113.7	I123 K124 A128 F129 V212 D213 V351 R352	I123-Y126 WeakPolarHBondContact O-CB 3.24Å; I123-Y126 PolarHBondContact O-N 3.25Å; K124-Y126 PolarHBondContact O-N 3.47Å; K124-Y126 VanDerWaalsContact O-N 3.1Å; Y126-A128 PolarHBondContact O-N 3.44Å; Y126-A128 VanDerWaalsContact O-N 3.15Å; Y126-F129 AromaticContact CD1-CD2 3.73Å; Y126-F129 HydrophobicContact CD1-CD2 3.73Å; Y126-F129 AromaticContact CD1-CE2 3.63Å; Y126-F129 HydrophobicContact CD1-CE2 3.63Å; Y126-F129 HydrophobicContact CE1-CD2 4.5Å; Y126-F129 HydrophobicContact CE1-CE2 4.03Å; Y126-F129 HydrophobicContact CG-CD2 4.22Å; Y126-F129 HydrophobicContact CG-CE2 4.15Å; Y126-F129 WeakPolarHBondContact O-CD2 3.32Å; Y126-F129 PolarHBondContact O-N 3.46Å; Y126-F129 VanDerWaalsContact O-N 3.11Å; Y126-V212 HydrophobicContact CD1-CG1 3.77Å; Y126-V212 HydrophobicContact CG-CG1 4.36Å; Y126-D213 HydrophobicContact CD1-CB 4.29Å; Y126-D213 HydrophobicContact CE1-CB 4.14Å; Y126-V351 HydrophobicContact CD2-CG2 4.13Å; Y126-V351 HydrophobicContact CE2-CG1 4.11Å; Y126-V351 HydrophobicContact CE2-CG2 3.97Å; Y126-R352 HydrophobicContact CE2-CG 4.32Å
127	V	97.9	Very high	98.4	Very high	25 Å²	25	28.6 Å²	28.6	15%	0.152	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-57.2	-25.1	168.8	-60.9	0	0	0	0	112.9	A122 K124 K125 F129 L130 Q155 A158	A122-V127 HydrophobicContact CB-CG1 4.22Å; A122-V127 WeakPolarHBondContact O-CG1 3.35Å; K124-V127 WeakPolarHBondContact O-CG2 3.41Å; K124-V127 PolarHBondContact O-N 3.13Å; K125-V127 PolarHBondContact O-N 3.42Å; V127-F129 PolarHBondContact O-N 2.98Å; V127-L130 HydrophobicContact CB-CD1 4.35Å; V127-L130 HydrophobicContact CG1-CD1 4.49Å; V127-L130 WeakPolarHBondContact O-CB 3.43Å; V127-L130 PolarHBondContact O-N 3.24Å; V127-Q155 HydrophobicContact CG1-CB 4.35Å; V127-A158 HydrophobicContact CB-CB 4.12Å; V127-A158 HydrophobicContact CG1-CB 4.2Å; V127-A158 HydrophobicContact CG2-CB 4.03Å
128	A	97.9	Very high	98.4	Very high	82 Å²	82	30.2 Å²	30.2	68%	0.678	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-61.5	-24.7	176.8	0	0	0	0	0	113.6	K125 Y126	K125-A128 WeakPolarHBondContact O-CB 3.38Å; K125-A128 PolarHBondContact O-N 3.48Å; Y126-A128 PolarHBondContact O-N 3.44Å; Y126-A128 VanDerWaalsContact O-N 3.15Å
129	F	98.5	Very high	98.4	Very high	26 Å²	26	37.3 Å²	37.3	11%	0.114	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-85.4	-19.3	-179.3	-59.4	-70.7	0	0	0	113.5	Y126 V127 K131 L132 F133 V212 D213 V344 K346 V351	Y126-F129 AromaticContact CD1-CD2 3.73Å; Y126-F129 HydrophobicContact CD1-CD2 3.73Å; Y126-F129 AromaticContact CD1-CE2 3.63Å; Y126-F129 HydrophobicContact CD1-CE2 3.63Å; Y126-F129 HydrophobicContact CE1-CD2 4.5Å; Y126-F129 HydrophobicContact CE1-CE2 4.03Å; Y126-F129 HydrophobicContact CG-CD2 4.22Å; Y126-F129 HydrophobicContact CG-CE2 4.15Å; Y126-F129 WeakPolarHBondContact O-CD2 3.32Å; Y126-F129 PolarHBondContact O-N 3.46Å; Y126-F129 VanDerWaalsContact O-N 3.11Å; V127-F129 PolarHBondContact O-N 2.98Å; F129-K131 VanDerWaalsContact C-N 3.29Å; F129-K131 PolarHBondContact O-N 3.19Å; F129-L132 PolarHBondContact O-N 3.45Å; F129-F133 WeakPolarHBondContact O-CB 3.34Å; F129-F133 PolarHBondContact O-N 2.76Å; F129-V212 HydrophobicContact CB-CG1 4.25Å; F129-V212 HydrophobicContact CB-CG2 4.04Å; F129-V212 WeakPolarHBondContact CB-O 3.31Å; F129-V212 HydrophobicContact CD2-CG1 4.24Å; F129-D213 HydrophobicContact CD1-CB 4.14Å; F129-D213 HydrophobicContact CD2-CB 3.8Å; F129-D213 HydrophobicContact CE1-CB 4.13Å; F129-D213 HydrophobicContact CE2-CB 3.8Å; F129-D213 HydrophobicContact CG-CB 3.98Å; F129-D213 HydrophobicContact CZ-CB 3.98Å; F129-V344 HydrophobicContact CD1-CB 4.35Å; F129-V344 HydrophobicContact CD1-CG1 4.14Å; F129-V344 HydrophobicContact CE1-CB 4.38Å; F129-V344 HydrophobicContact CE1-CG1 4.05Å; F129-K346 HydrophobicContact CE1-CB 4.44Å; F129-K346 HydrophobicContact CZ-CB 4.01Å; F129-K346 HydrophobicContact CZ-CD 4.34Å; F129-V351 HydrophobicContact CE2-CG2 3.83Å; F129-V351 HydrophobicContact CZ-CG2 4.16Å
130	L	98.8	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-38.8	-171.3	-79.6	172.4	0	0	0	113.5	V120 A122 V127 F133 L134 V151 V159 P160 V212	V120-L130 HydrophobicContact CG1-CD2 4.39Å; A122-L130 HydrophobicContact CB-CD1 3.51Å; A122-L130 HydrophobicContact CB-CD2 3.67Å; A122-L130 HydrophobicContact CB-CG 3.5Å; V127-L130 HydrophobicContact CB-CD1 4.35Å; V127-L130 HydrophobicContact CG1-CD1 4.49Å; V127-L130 WeakPolarHBondContact O-CB 3.43Å; V127-L130 PolarHBondContact O-N 3.24Å; L130-F133 PolarHBondContact O-N 3.48Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.4Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.34Å; L130-V151 HydrophobicContact CD1-CG1 3.94Å; L130-V151 HydrophobicContact CD2-CG1 3.75Å; L130-V151 HydrophobicContact CD2-CG2 4.32Å; L130-V159 HydrophobicContact CD1-CG1 4.45Å; L130-V159 HydrophobicContact CD1-CG2 4.17Å; L130-P160 HydrophobicContact CB-CG 3.84Å; L130-V212 HydrophobicContact CD2-CG2 3.76Å; L130-V212 HydrophobicContact CG-CG2 4.16Å
131	K	98.7	Very high	98.4	Very high	112 Å²	112	39.5 Å²	39.5	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-52.3	-175.5	-173.9	178.3	-178.5	-65.1	0	110.7	F129 E135 P160	F129-K131 VanDerWaalsContact C-N 3.29Å; F129-K131 PolarHBondContact O-N 3.19Å; K131-E135 VanDerWaalsContact CE-OE1 3.27Å; K131-E135 WeakPolarHBondContact CE-OE1 3.26Å; K131-E135 HydrophobicContact CG-CG 4.46Å; K131-E135 IonicContact NZ-OE1 3.6Å; K131-E135 PolarHBondContact NZ-OE1 2.83Å; K131-E135 IonicContact NZ-OE2 2.64Å; K131-E135 PolarHBondContact NZ-OE2 3.36Å; K131-E135 VanDerWaalsContact O-CB 3.28Å; K131-E135 WeakPolarHBondContact O-CB 3.44Å; K131-E135 VanDerWaalsContact O-CG 3.23Å; K131-E135 WeakPolarHBondContact O-CG 3.31Å; K131-E135 PolarHBondContact O-N 3.28Å; K131-P160 HydrophobicContact CB-CB 4.15Å; K131-P160 HydrophobicContact CB-CG 4Å; K131-P160 HydrophobicContact CG-CB 4.42Å
132	L	98.8	Very high	98.4	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.356	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-44.2	178.4	179.9	62.3	0	0	0	111.1	F129 T136 E215 V344	F129-L132 PolarHBondContact O-N 3.45Å; L132-T136 HydrophobicContact CD1-CG2 3.86Å; L132-T136 WeakPolarHBondContact O-CB 3.5Å; L132-T136 WeakPolarHBondContact O-CG2 3.45Å; L132-T136 PolarHBondContact O-N 3.01Å; L132-T136 PolarHBondContact O-OG1 2.7Å; L132-E215 HydrophobicContact CD2-CB 4.04Å; L132-E215 HydrophobicContact CG-CB 3.98Å; L132-V344 HydrophobicContact CD2-CG1 4.49Å; L132-V344 HydrophobicContact CD2-CG2 3.8Å
133	F	98.9	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-53	178.2	176.7	-88	0	0	0	111.9	L118 V120 F129 L130 T136 A137 V210 V212 F216 F341	L118-F133 HydrophobicContact CD2-CE1 3.94Å; L118-F133 HydrophobicContact CD2-CZ 3.8Å; L118-F133 HydrophobicContact CG-CZ 4.34Å; V120-F133 HydrophobicContact CB-CE1 3.98Å; V120-F133 HydrophobicContact CB-CZ 3.99Å; V120-F133 HydrophobicContact CG1-CD1 4.48Å; V120-F133 HydrophobicContact CG1-CE1 3.92Å; V120-F133 HydrophobicContact CG1-CZ 4.44Å; V120-F133 HydrophobicContact CG2-CD1 4.34Å; V120-F133 HydrophobicContact CG2-CE1 3.96Å; V120-F133 HydrophobicContact CG2-CE2 4.18Å; V120-F133 HydrophobicContact CG2-CZ 3.87Å; F129-F133 WeakPolarHBondContact O-CB 3.34Å; F129-F133 PolarHBondContact O-N 2.76Å; L130-F133 PolarHBondContact O-N 3.48Å; F133-T136 PolarHBondContact O-OG1 2.71Å; F133-T136 VanDerWaalsContact O-OG1 3.11Å; F133-A137 VanDerWaalsContact O-CB 3.27Å; F133-A137 WeakPolarHBondContact O-CB 3.46Å; F133-A137 PolarHBondContact O-N 2.62Å; F133-V210 HydrophobicContact CE2-CG2 3.63Å; F133-V210 HydrophobicContact CZ-CG2 3.49Å; F133-V210 VanDerWaalsContact CZ-CG2 3.49Å; F133-V212 HydrophobicContact CB-CG2 4.39Å; F133-V212 HydrophobicContact CG-CG2 4.39Å; F133-F216 HydrophobicContact CD2-CE2 4.22Å; F133-F216 AromaticContact CE2-CE2 3.81Å; F133-F216 HydrophobicContact CE2-CE2 3.81Å; F133-F216 HydrophobicContact CE2-CZ 4.36Å; F133-F216 HydrophobicContact CZ-CE2 4Å; F133-F216 HydrophobicContact CZ-CZ 4.44Å; F133-F341 HydrophobicContact CD2-CE2 4.25Å; F133-F341 AromaticContact CE2-CE2 3.92Å; F133-F341 HydrophobicContact CE2-CE2 3.92Å; F133-F341 AromaticContact CE2-CZ 3.97Å; F133-F341 HydrophobicContact CE2-CZ 3.97Å
134	L	98.9	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-42	-177.3	-68.9	171	0	0	0	112.1	L130 T136 A137 E138 Y149 P160 V162 L170	L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.4Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.34Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 2.86Å; L134-A137 PolarHBondContact O-N 2.81Å; L134-E138 PolarHBondContact O-N 3.5Å; L134-Y149 HydrophobicContact CD2-CD1 3.99Å; L134-Y149 HydrophobicContact CD2-CE1 4.33Å; L134-Y149 HydrophobicContact CD2-CG 4.19Å; L134-P160 HydrophobicContact CD1-CG 4.29Å; L134-V162 HydrophobicContact CB-CB 4.3Å; L134-V162 HydrophobicContact CB-CG1 4.23Å; L134-V162 HydrophobicContact CB-CG2 3.91Å; L134-V162 HydrophobicContact CD1-CG2 4.12Å; L134-L170 HydrophobicContact CD1-CD1 3.72Å; L134-L170 HydrophobicContact CD2-CD1 3.88Å; L134-L170 HydrophobicContact CG-CD1 4.47Å
135	E	98.8	Very high	98.5	Very high	70 Å²	70	43.2 Å²	43.2	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-34.8	178.8	-75.4	177.1	163.7	0	0	112.6	K131 V162	K131-E135 VanDerWaalsContact CE-OE1 3.27Å; K131-E135 WeakPolarHBondContact CE-OE1 3.26Å; K131-E135 HydrophobicContact CG-CG 4.46Å; K131-E135 IonicContact NZ-OE1 3.6Å; K131-E135 PolarHBondContact NZ-OE1 2.83Å; K131-E135 IonicContact NZ-OE2 2.64Å; K131-E135 PolarHBondContact NZ-OE2 3.36Å; K131-E135 VanDerWaalsContact O-CB 3.28Å; K131-E135 WeakPolarHBondContact O-CB 3.44Å; K131-E135 VanDerWaalsContact O-CG 3.23Å; K131-E135 WeakPolarHBondContact O-CG 3.31Å; K131-E135 PolarHBondContact O-N 3.28Å; E135-V162 HydrophobicContact CG-CG1 3.87Å; E135-V162 HydrophobicContact CG-CG2 4.31Å
136	T	98.9	Very high	98.6	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-79.9	-34.8	175.5	55.8	0	0	0	0	112.1	L132 F133 L134 E138 K139 H140 E215 F216	L132-T136 HydrophobicContact CD1-CG2 3.86Å; L132-T136 WeakPolarHBondContact O-CB 3.5Å; L132-T136 WeakPolarHBondContact O-CG2 3.45Å; L132-T136 PolarHBondContact O-N 3.01Å; L132-T136 PolarHBondContact O-OG1 2.7Å; F133-T136 PolarHBondContact O-OG1 2.71Å; F133-T136 VanDerWaalsContact O-OG1 3.11Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 2.86Å; T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact O-N 3.04Å; T136-K139 PolarHBondContact O-N 3.41Å; T136-K139 VanDerWaalsContact O-N 3.08Å; T136-H140 PolarHBondContact O-CD2 2.87Å; T136-H140 PolarHBondContact O-N 3.49Å; T136-E215 HydrophobicContact CG2-CB 4.31Å; T136-F216 VanDerWaalsContact CB-O 3.23Å; T136-F216 WeakPolarHBondContact CB-O 3.43Å; T136-F216 WeakPolarHBondContact CG2-O 3.35Å; T136-F216 PolarHBondContact OG1-N 2.8Å
137	A	98.9	Very high	98.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-40.9	172.1	0	0	0	0	0	111.8	F133 L134 K139 H140 F141 Y149 F216	F133-A137 VanDerWaalsContact O-CB 3.27Å; F133-A137 WeakPolarHBondContact O-CB 3.46Å; F133-A137 PolarHBondContact O-N 2.62Å; L134-A137 PolarHBondContact O-N 2.81Å; A137-K139 PolarHBondContact O-N 2.97Å; A137-H140 PolarHBondContact O-N 3.15Å; A137-F141 HydrophobicContact CB-CB 4.1Å; A137-F141 WeakPolarHBondContact O-CA 3.5Å; A137-F141 VanDerWaalsContact O-CB 3.27Å; A137-F141 WeakPolarHBondContact O-CB 3.45Å; A137-F141 PolarHBondContact O-N 3.43Å; A137-Y149 HydrophobicContact CB-CE1 3.9Å; A137-F216 HydrophobicContact CB-CD2 3.77Å; A137-F216 HydrophobicContact CB-CE2 3.66Å; A137-F216 HydrophobicContact CB-CZ 4.47Å
138	E	98.8	Very high	98.7	Very high	34 Å²	34	41.4 Å²	41.4	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-29.7	175.3	-78.2	-58.9	108.7	0	0	113.7	L134 T136 Y149 L164 G165 R168	L134-E138 PolarHBondContact O-N 3.5Å; T136-E138 VanDerWaalsContact C-N 3.3Å; T136-E138 PolarHBondContact O-N 3.04Å; E138-Y149 WeakPolarHBondContact OE1-CE2 3.48Å; E138-Y149 VanDerWaalsContact OE1-CZ 3.25Å; E138-Y149 PolarHBondContact OE1-OH 3.13Å; E138-L164 HydrophobicContact CG-CD2 4.03Å; E138-L164 WeakPolarHBondContact OE2-CA 3.46Å; E138-G165 PolarHBondContact OE2-N 3.36Å; E138-R168 IonicContact OE1-CZ 2.79Å; E138-R168 IonicContact OE1-NE 2.98Å; E138-R168 PolarHBondContact OE1-NE 3.41Å; E138-R168 IonicContact OE1-NH2 3.99Å; E138-R168 WeakPolarHBondContact OE2-CD 3.03Å; E138-R168 IonicContact OE2-NE 3.72Å; E138-R168 PolarHBondContact OE2-NE 2.91Å
139	K	98.8	Very high	98.7	Very high	148 Å²	148	37.5 Å²	37.5	64%	0.643	19%	0.192	S	C	*	.	H	α-helix	trans	-84.4	-25.6	-179.5	-64.7	175.5	-174	176.8	0	113.5	T136 A137 V143	T136-K139 PolarHBondContact O-N 3.41Å; T136-K139 VanDerWaalsContact O-N 3.08Å; A137-K139 PolarHBondContact O-N 2.97Å; K139-V143 WeakPolarHBondContact O-CG2 3.43Å
140	H	98.9	Very high	98.8	Very high	48 Å²	48	36.3 Å²	36.3	22%	0.222	19%	0.186	C	C	.	.	H	α-helix	trans	-134.8	-23.6	-160.5	-65.5	-54.4	0	0	0	115	T136 A137 F216 D218 V220	T136-H140 PolarHBondContact O-CD2 2.87Å; T136-H140 PolarHBondContact O-N 3.49Å; A137-H140 PolarHBondContact O-N 3.15Å; H140-F216 HydrophobicContact CB-CB 3.72Å; H140-F216 HydrophobicContact CB-CG 4.48Å; H140-F216 PolarHBondContact CD2-O 2.84Å; H140-F216 VanDerWaalsContact CD2-O 3.31Å; H140-D218 WeakPolarHBondContact CB-O 3.38Å; H140-V220 PolarHBondContact O-N 2.93Å; H140-V220 VanDerWaalsContact O-O 3.14Å
141	F	98.9	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-93.9	112.7	-174.6	-177.9	-103	0	0	0	111.3	I116 L118 A137 V143 V147 R168 V208 F216 V220	I116-F141 HydrophobicContact CG2-CE1 4.2Å; I116-F141 HydrophobicContact CG2-CZ 3.83Å; L118-F141 HydrophobicContact CB-CE1 3.81Å; L118-F141 HydrophobicContact CB-CZ 4.08Å; L118-F141 HydrophobicContact CD1-CE1 4.31Å; L118-F141 HydrophobicContact CD1-CE2 4.1Å; L118-F141 HydrophobicContact CD1-CZ 3.87Å; L118-F141 HydrophobicContact CD2-CD1 3.98Å; L118-F141 HydrophobicContact CD2-CE1 4Å; L118-F141 HydrophobicContact CD2-CG 4.3Å; L118-F141 HydrophobicContact CD2-CZ 4.32Å; L118-F141 HydrophobicContact CG-CE1 4.26Å; L118-F141 HydrophobicContact CG-CZ 4.31Å; A137-F141 HydrophobicContact CB-CB 4.1Å; A137-F141 WeakPolarHBondContact O-CA 3.5Å; A137-F141 VanDerWaalsContact O-CB 3.27Å; A137-F141 WeakPolarHBondContact O-CB 3.45Å; A137-F141 PolarHBondContact O-N 3.43Å; F141-V143 PolarHBondContact O-N 3.01Å; F141-V143 VanDerWaalsContact O-N 3.11Å; F141-V147 HydrophobicContact CD1-CG1 4.16Å; F141-V147 HydrophobicContact CD1-CG2 4.29Å; F141-V147 HydrophobicContact CE1-CG1 4.01Å; F141-V147 HydrophobicContact CE1-CG2 4.2Å; F141-R168 PolarHBondContact O-NH1 3.3Å; F141-R168 PolarHBondContact O-NH2 3.14Å; F141-V208 HydrophobicContact CE2-CB 4.34Å; F141-V208 HydrophobicContact CE2-CG1 4.18Å; F141-V208 HydrophobicContact CE2-CG2 4.25Å; F141-V208 HydrophobicContact CZ-CB 4.11Å; F141-V208 HydrophobicContact CZ-CG1 4.41Å; F141-V208 HydrophobicContact CZ-CG2 4.03Å; F141-F216 HydrophobicContact CB-CD1 4.45Å; F141-F216 HydrophobicContact CB-CE1 4.19Å; F141-F216 HydrophobicContact CB-CZ 4.37Å; F141-F216 AromaticContact CD2-CE1 3.95Å; F141-F216 HydrophobicContact CD2-CE1 3.95Å; F141-F216 HydrophobicContact CD2-CZ 4.21Å; F141-F216 HydrophobicContact CG-CE1 4.43Å; F141-F216 HydrophobicContact CG-CZ 4.48Å; F141-V220 CarbonylContact C-O 3.53Å; F141-V220 WeakPolarHBondContact CA-O 3.38Å; F141-V220 HydrophobicContact CD2-CB 4.36Å; F141-V220 HydrophobicContact CD2-CG1 3.98Å; F141-V220 HydrophobicContact CE2-CG1 4.32Å
142	M	98.8	Very high	98.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	52.3	38	171.8	-56.2	-68.6	174.4	0	0	112.9	I116 G144 H145 V147 R168 V220 G221 V222 I224 L225	I116-M142 HydrophobicContact CB-CG 4.29Å; I116-M142 HydrophobicContact CD1-CB 4.43Å; I116-M142 HydrophobicContact CD1-CG 4.35Å; I116-M142 HydrophobicContact CD1-SD 4.26Å; I116-M142 HydrophobicContact CG1-CE 4.5Å; I116-M142 HydrophobicContact CG1-CG 4.2Å; I116-M142 HydrophobicContact CG1-SD 4.1Å; I116-M142 HydrophobicContact CG2-CE 4.3Å; I116-M142 HydrophobicContact CG2-CG 4.26Å; M142-G144 PolarHBondContact O-N 3.48Å; M142-H145 HydrophobicContact CB-CB 4.4Å; M142-H145 PolarHBondContact O-N 3.47Å; M142-V147 HydrophobicContact CB-CG2 3.65Å; M142-V147 HydrophobicContact CG-CG2 4.44Å; M142-R168 PolarHBondContact O-NH1 3.49Å; M142-V220 PolarHBondContact N-O 3.34Å; M142-G221 WeakPolarHBondContact CE-O 3.32Å; M142-V222 HydrophobicContact SD-CG1 3.98Å; M142-I224 HydrophobicContact CE-CD1 3.54Å; M142-I224 HydrophobicContact CE-CG1 3.65Å; M142-L225 HydrophobicContact CE-CD1 4.48Å; M142-L225 HydrophobicContact CE-CD2 3.71Å; M142-L225 HydrophobicContact CE-CG 4.03Å; M142-L225 HydrophobicContact SD-CD1 4.46Å
143	V	98.6	Very high	98.8	Very high	79 Å²	79	27.7 Å²	27.7	48%	0.479	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	132.6	-178.5	179.7	0	0	0	0	109.5	K139 F141 H145	K139-V143 WeakPolarHBondContact O-CG2 3.43Å; F141-V143 PolarHBondContact O-N 3.01Å; F141-V143 VanDerWaalsContact O-N 3.11Å; V143-H145 VanDerWaalsContact C-N 3.34Å
144	G	97.6	Very high	98.7	Very high	65 Å²	65	29.7 Å²	29.7	67%	0.67	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-1.3	-175.1	0	0	0	0	0	115	M142	M142-G144 PolarHBondContact O-N 3.48Å
145	H	98.7	Very high	98.7	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.065	17%	0.173	C	C	.	.	S	Bend	trans	-114.9	164.8	174.1	-61.6	-92.6	0	0	0	111.3	N106 I116 M142 V143 V222	N106-H145 PolarHBondContact OD1-NE2 3.28Å; I116-H145 HydrophobicContact CD1-CB 3.84Å; M142-H145 HydrophobicContact CB-CB 4.4Å; M142-H145 PolarHBondContact O-N 3.47Å; V143-H145 VanDerWaalsContact C-N 3.34Å; H145-V222 VanDerWaalsContact CE1-CG1 3.43Å; H145-V222 WeakPolarHBondContact CE1-CG1 3.29Å; H145-V222 WeakPolarHBondContact NE2-CG1 3.5Å
146	R	98.9	Very high	98.7	Very high	107 Å²	107	32.2 Å²	32.2	40%	0.404	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.8	177.7	-59	172	57.7	76.7	3.7	109.3	N113 T115 I116 G167	N113-R146 VanDerWaalsContact OD1-CD 3.29Å; N113-R146 WeakPolarHBondContact OD1-CD 3.07Å; T115-R146 WeakPolarHBondContact CA-O 3.34Å; T115-R146 HydrophobicContact CG2-CB 3.86Å; T115-R146 WeakPolarHBondContact OG1-CD 3.28Å; T115-R146 PolarHBondContact OG1-NE 3.24Å; T115-R146 VanDerWaalsContact OG1-NE 3.07Å; I116-R146 PolarHBondContact N-O 3.27Å; R146-G167 WeakPolarHBondContact CA-O 3.46Å
147	V	98.9	Very high	98.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137	-178.2	174	0	0	0	0	111.5	I116 F141 M142 Y149 G167 R168 Q169	I116-V147 VanDerWaalsContact O-CA 3.31Å; I116-V147 WeakPolarHBondContact O-CA 3.35Å; F141-V147 HydrophobicContact CD1-CG1 4.16Å; F141-V147 HydrophobicContact CD1-CG2 4.29Å; F141-V147 HydrophobicContact CE1-CG1 4.01Å; F141-V147 HydrophobicContact CE1-CG2 4.2Å; M142-V147 HydrophobicContact CB-CG2 3.65Å; M142-V147 HydrophobicContact CG-CG2 4.44Å; V147-Y149 HydrophobicContact CG1-CD1 4.28Å; V147-Y149 HydrophobicContact CG1-CD2 4.19Å; V147-Y149 HydrophobicContact CG1-CE1 4.01Å; V147-Y149 HydrophobicContact CG1-CE2 3.92Å; V147-Y149 HydrophobicContact CG1-CG 4.38Å; V147-G167 PolarHBondContact N-O 3.39Å; V147-R168 HydrophobicContact CB-CB 4.5Å; V147-R168 HydrophobicContact CB-CG 4.28Å; V147-R168 CarbonylContact O-C 3.56Å; V147-R168 VanDerWaalsContact O-CA 3.27Å; V147-R168 WeakPolarHBondContact O-CA 3.33Å; V147-Q169 PolarHBondContact O-N 3.42Å
148	H	98.9	Very high	98.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.4	170.9	-159.8	155.5	0	0	0	109.7	I116 G117 L118 Y150 Q169 S171 E203 V204	I116-H148 PolarHBondContact O-N 3.17Å; G117-H148 CarbonylContact C-O 3.54Å; G117-H148 VanDerWaalsContact CA-O 3.28Å; G117-H148 WeakPolarHBondContact CA-O 3.49Å; L118-H148 PolarHBondContact N-O 3.29Å; H148-Y150 HydrophobicContact CB-CE2 3.98Å; H148-Y150 AromaticContact CD2-CE1 3.59Å; H148-Y150 AromaticContact CD2-CZ 3.72Å; H148-Y150 AromaticContact CE1-CE1 3.55Å; H148-Y150 AromaticContact CE1-CZ 3.77Å; H148-Y150 AromaticContact CG-CE1 3.84Å; H148-Y150 AromaticContact CG-CE2 3.98Å; H148-Y150 AromaticContact CG-CZ 3.49Å; H148-Y150 VanDerWaalsContact CG-CZ 3.49Å; H148-Y150 AromaticContact ND1-CE1 3.87Å; H148-Y150 AromaticContact ND1-CZ 3.58Å; H148-Y150 PolarHBondContact ND1-OH 2.76Å; H148-Y150 VanDerWaalsContact ND1-OH 3.17Å; H148-Y150 AromaticContact NE2-CD1 3.98Å; H148-Y150 AromaticContact NE2-CE1 3.4Å; H148-Y150 WeakPolarHBondContact NE2-CE1 3.42Å; H148-Y150 AromaticContact NE2-CZ 3.88Å; H148-Y150 WeakPolarHBondContact O-CD2 3.47Å; H148-Q169 CarbonylContact C-O 3.45Å; H148-Q169 WeakPolarHBondContact CA-O 3.49Å; H148-Q169 HydrophobicContact CB-CG 4.2Å; H148-Q169 PolarHBondContact CE1-NE2 2.99Å; H148-Q169 PolarHBondContact ND1-NE2 3.3Å; H148-S171 WeakPolarHBondContact NE2-CB 3.33Å; H148-S171 PolarHBondContact NE2-OG 3.32Å; H148-E203 IonicContact CE1-OE2 3.73Å; H148-E203 PolarHBondContact CE1-OE2 2.69Å; H148-E203 IonicContact ND1-OE2 2.81Å; H148-V204 HydrophobicContact CB-CG1 3.94Å
149	Y	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.6	173.1	-58.6	-79.3	0	0	0	110.8	L118 L134 A137 E138 V147 L164 R168 Q169 L170 S171	L118-Y149 HydrophobicContact CB-CD1 4.02Å; L118-Y149 HydrophobicContact CB-CE1 4.47Å; L118-Y149 HydrophobicContact CD2-CD1 3.78Å; L118-Y149 HydrophobicContact CD2-CE1 3.68Å; L118-Y149 HydrophobicContact CG-CD1 4.36Å; L134-Y149 HydrophobicContact CD2-CD1 3.99Å; L134-Y149 HydrophobicContact CD2-CE1 4.33Å; L134-Y149 HydrophobicContact CD2-CG 4.19Å; A137-Y149 HydrophobicContact CB-CE1 3.9Å; E138-Y149 WeakPolarHBondContact OE1-CE2 3.48Å; E138-Y149 VanDerWaalsContact OE1-CZ 3.25Å; E138-Y149 PolarHBondContact OE1-OH 3.13Å; V147-Y149 HydrophobicContact CG1-CD1 4.28Å; V147-Y149 HydrophobicContact CG1-CD2 4.19Å; V147-Y149 HydrophobicContact CG1-CE1 4.01Å; V147-Y149 HydrophobicContact CG1-CE2 3.92Å; V147-Y149 HydrophobicContact CG1-CG 4.38Å; Y149-L164 HydrophobicContact CD2-CD1 4.42Å; Y149-L164 HydrophobicContact CD2-CD2 4.32Å; Y149-L164 HydrophobicContact CE2-CD2 3.95Å; Y149-R168 PolarHBondContact OH-NH2 3.43Å; Y149-Q169 WeakPolarHBondContact CD2-O 3.24Å; Y149-Q169 PolarHBondContact N-O 3.15Å; Y149-L170 HydrophobicContact CD2-CB 4.39Å; Y149-L170 CarbonylContact O-C 3.5Å; Y149-L170 WeakPolarHBondContact O-CA 3.46Å; Y149-S171 PolarHBondContact O-N 2.94Å
150	Y	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100.9	174.1	-59.9	-75.2	0	0	0	109.3	L118 T119 V120 H148 L173 F200 E203 V204 L207	L118-Y150 PolarHBondContact O-N 3.4Å; T119-Y150 WeakPolarHBondContact CA-O 3.13Å; T119-Y150 HydrophobicContact CG2-CD2 4.27Å; V120-Y150 PolarHBondContact N-O 3.46Å; H148-Y150 HydrophobicContact CB-CE2 3.98Å; H148-Y150 AromaticContact CD2-CE1 3.59Å; H148-Y150 AromaticContact CD2-CZ 3.72Å; H148-Y150 AromaticContact CE1-CE1 3.55Å; H148-Y150 AromaticContact CE1-CZ 3.77Å; H148-Y150 AromaticContact CG-CE1 3.84Å; H148-Y150 AromaticContact CG-CE2 3.98Å; H148-Y150 AromaticContact CG-CZ 3.49Å; H148-Y150 VanDerWaalsContact CG-CZ 3.49Å; H148-Y150 AromaticContact ND1-CE1 3.87Å; H148-Y150 AromaticContact ND1-CZ 3.58Å; H148-Y150 PolarHBondContact ND1-OH 2.76Å; H148-Y150 VanDerWaalsContact ND1-OH 3.17Å; H148-Y150 AromaticContact NE2-CD1 3.98Å; H148-Y150 AromaticContact NE2-CE1 3.4Å; H148-Y150 WeakPolarHBondContact NE2-CE1 3.42Å; H148-Y150 AromaticContact NE2-CZ 3.88Å; H148-Y150 WeakPolarHBondContact O-CD2 3.47Å; Y150-L173 HydrophobicContact CD1-CD1 4.06Å; Y150-L173 HydrophobicContact CG-CD1 4.41Å; Y150-F200 HydrophobicContact CD1-CD1 4.32Å; Y150-F200 AromaticContact CD1-CE1 3.61Å; Y150-F200 HydrophobicContact CD1-CE1 3.61Å; Y150-F200 HydrophobicContact CD2-CD1 4.03Å; Y150-F200 AromaticContact CD2-CE1 3.54Å; Y150-F200 HydrophobicContact CD2-CE1 3.54Å; Y150-F200 HydrophobicContact CD2-CZ 4.27Å; Y150-F200 AromaticContact CE1-CD1 3.93Å; Y150-F200 HydrophobicContact CE1-CD1 3.93Å; Y150-F200 AromaticContact CE1-CE1 3.69Å; Y150-F200 HydrophobicContact CE1-CE1 3.69Å; Y150-F200 AromaticContact CE2-CD1 3.63Å; Y150-F200 HydrophobicContact CE2-CD1 3.63Å; Y150-F200 AromaticContact CE2-CE1 3.64Å; Y150-F200 HydrophobicContact CE2-CE1 3.64Å; Y150-F200 HydrophobicContact CG-CD1 4.33Å; Y150-F200 AromaticContact CG-CE1 3.5Å; Y150-F200 HydrophobicContact CG-CE1 3.5Å; Y150-F200 HydrophobicContact CG-CZ 4.19Å; Y150-F200 AromaticContact CZ-CD1 3.56Å; Y150-F200 AromaticContact CZ-CE1 3.69Å; Y150-E203 WeakPolarHBondContact CE1-OE2 3.37Å; Y150-E203 VanDerWaalsContact CZ-OE2 3.28Å; Y150-E203 VanDerWaalsContact OH-CB 3.26Å; Y150-E203 WeakPolarHBondContact OH-CB 3.41Å; Y150-E203 PolarHBondContact OH-OE2 2.9Å; Y150-V204 HydrophobicContact CE2-CG1 4.12Å; Y150-L207 HydrophobicContact CE2-CD2 4.47Å
151	V	98.9	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.2	-179.6	179.6	0	0	0	0	108.8	V120 L130 V159 L170 S171 L173	V120-V151 HydrophobicContact CG1-CB 4.48Å; V120-V151 HydrophobicContact CG1-CG2 3.95Å; L130-V151 HydrophobicContact CD1-CG1 3.94Å; L130-V151 HydrophobicContact CD2-CG1 3.75Å; L130-V151 HydrophobicContact CD2-CG2 4.32Å; V151-V159 HydrophobicContact CG1-CG1 4.42Å; V151-V159 HydrophobicContact CG1-CG2 4.02Å; V151-L170 HydrophobicContact CG2-CD1 3.91Å; V151-L170 HydrophobicContact CG2-CD2 4.23Å; V151-L170 HydrophobicContact CG2-CG 4.09Å; V151-S171 PolarHBondContact N-O 2.79Å; V151-L173 PolarHBondContact O-N 2.78Å
152	F	98.8	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.8	172.9	-69.3	-97.4	0	0	0	109.7	T119 V120 F121 A122 L173 V175 M191 F195 F200	T119-F152 HydrophobicContact CG2-CE2 4.15Å; V120-F152 PolarHBondContact O-N 2.91Å; F121-F152 HydrophobicContact CD1-CB 3.34Å; F121-F152 AromaticContact CD1-CG 3.93Å; F121-F152 HydrophobicContact CD1-CG 3.93Å; F121-F152 HydrophobicContact CD2-CB 4.36Å; F121-F152 HydrophobicContact CD2-CD2 4.3Å; F121-F152 HydrophobicContact CD2-CG 4.5Å; F121-F152 HydrophobicContact CE1-CB 3.38Å; F121-F152 AromaticContact CE1-CD1 3.68Å; F121-F152 HydrophobicContact CE1-CD1 3.68Å; F121-F152 HydrophobicContact CE1-CD2 4.04Å; F121-F152 HydrophobicContact CE1-CE1 4.4Å; F121-F152 AromaticContact CE1-CG 3.44Å; F121-F152 HydrophobicContact CE1-CG 3.44Å; F121-F152 VanDerWaalsContact CE1-CG 3.44Å; F121-F152 HydrophobicContact CE2-CB 4.4Å; F121-F152 AromaticContact CE2-CD2 3.81Å; F121-F152 HydrophobicContact CE2-CD2 3.81Å; F121-F152 HydrophobicContact CE2-CE2 4.22Å; F121-F152 HydrophobicContact CE2-CG 4.09Å; F121-F152 HydrophobicContact CG-CB 3.86Å; F121-F152 HydrophobicContact CG-CG 4.42Å; F121-F152 HydrophobicContact CZ-CB 3.94Å; F121-F152 AromaticContact CZ-CD1 3.81Å; F121-F152 HydrophobicContact CZ-CD1 3.81Å; F121-F152 AromaticContact CZ-CD2 3.67Å; F121-F152 HydrophobicContact CZ-CD2 3.67Å; F121-F152 HydrophobicContact CZ-CE1 4.15Å; F121-F152 HydrophobicContact CZ-CE2 4.03Å; F121-F152 AromaticContact CZ-CG 3.54Å; F121-F152 HydrophobicContact CZ-CG 3.54Å; F121-F152 HydrophobicContact CZ-CZ 4.24Å; A122-F152 PolarHBondContact N-O 2.76Å; F152-L173 WeakPolarHBondContact CA-O 3.35Å; F152-L173 HydrophobicContact CD1-CB 3.96Å; F152-L173 HydrophobicContact CD1-CD1 4.16Å; F152-L173 HydrophobicContact CD2-CD1 4.24Å; F152-L173 HydrophobicContact CE1-CB 4.17Å; F152-L173 HydrophobicContact CE1-CD1 3.67Å; F152-L173 HydrophobicContact CE2-CD1 3.73Å; F152-L173 HydrophobicContact CG-CB 4.32Å; F152-L173 HydrophobicContact CG-CD1 4.44Å; F152-L173 HydrophobicContact CZ-CD1 3.44Å; F152-L173 VanDerWaalsContact CZ-CD1 3.44Å; F152-V175 HydrophobicContact CB-CG2 4.25Å; F152-V175 HydrophobicContact CD1-CG1 3.83Å; F152-M191 HydrophobicContact CD1-CB 4.45Å; F152-M191 HydrophobicContact CE1-CB 4.19Å; F152-F195 AromaticContact CE1-CD2 3.49Å; F152-F195 HydrophobicContact CE1-CD2 3.49Å; F152-F195 VanDerWaalsContact CE1-CD2 3.49Å; F152-F195 AromaticContact CE1-CE2 3.67Å; F152-F195 HydrophobicContact CE1-CE2 3.67Å; F152-F195 AromaticContact CE1-CG 3.96Å; F152-F195 HydrophobicContact CE1-CG 3.96Å; F152-F195 HydrophobicContact CE1-CZ 4.32Å; F152-F195 HydrophobicContact CZ-CB 4.12Å; F152-F195 AromaticContact CZ-CD2 3.94Å; F152-F195 HydrophobicContact CZ-CD2 3.94Å; F152-F195 HydrophobicContact CZ-CE2 4.48Å; F152-F195 AromaticContact CZ-CG 3.97Å; F152-F195 HydrophobicContact CZ-CG 3.97Å; F152-F200 HydrophobicContact CE2-CZ 4.16Å; F152-F200 AromaticContact CZ-CZ 3.89Å; F152-F200 HydrophobicContact CZ-CZ 3.89Å
153	T	98.6	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.5	-176.9	-170.8	0	0	0	0	112.7	A122 Q155 P156 V159 V172 L173 E174 V175	A122-T153 WeakPolarHBondContact O-CA 3.01Å; A122-T153 VanDerWaalsContact O-CB 3.29Å; A122-T153 WeakPolarHBondContact O-CB 3.19Å; A122-T153 PolarHBondContact O-OG1 3.4Å; T153-Q155 VanDerWaalsContact C-N 3.33Å; T153-Q155 PolarHBondContact OG1-N 3.36Å; T153-Q155 VanDerWaalsContact OG1-N 3.09Å; T153-P156 HydrophobicContact CG2-CG 4.42Å; T153-V159 HydrophobicContact CG2-CG2 3.82Å; T153-V172 HydrophobicContact CG2-CG1 3.68Å; T153-L173 PolarHBondContact N-O 3.44Å; T153-E174 WeakPolarHBondContact O-CA 3.49Å; T153-V175 PolarHBondContact O-N 2.67Å
154	D	98.1	Very high	98.3	Very high	42 Å²	42	49 Å²	49	23%	0.225	28%	0.279	C	S	.	.	S	Bend	trans	-88.8	-3.7	168	64.1	-36.2	0	0	0	112.4	I123 K124 V175 A177	I123-D154 WeakPolarHBondContact CA-OD1 3.47Å; I123-D154 HydrophobicContact CD1-CB 4.36Å; K124-D154 PolarHBondContact N-OD1 3.09Å; K124-D154 PolarHBondContact N-OD2 2.85Å; D154-V175 WeakPolarHBondContact CA-O 3.18Å; D154-A177 HydrophobicContact CB-CB 3.77Å; D154-A177 WeakPolarHBondContact OD2-CB 3.39Å
155	Q	98.1	Very high	98.4	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	27%	0.265	S	S	.	.			trans	-134.9	74	-175.9	-66.3	159.3	81.7	0	0	110.7	K124 V127 T153 A157 A158	K124-Q155 PolarHBondContact O-NE2 2.93Å; V127-Q155 HydrophobicContact CG1-CB 4.35Å; T153-Q155 VanDerWaalsContact C-N 3.33Å; T153-Q155 PolarHBondContact OG1-N 3.36Å; T153-Q155 VanDerWaalsContact OG1-N 3.09Å; Q155-A157 PolarHBondContact O-N 3.27Å; Q155-A157 VanDerWaalsContact O-N 3.13Å; Q155-A158 HydrophobicContact CB-CB 3.81Å; Q155-A158 WeakPolarHBondContact O-CB 3.45Å; Q155-A158 PolarHBondContact O-N 3.14Å
156	P	98.3	Very high	98.3	Very high	50 Å²	50	54.3 Å²	54.3	33%	0.325	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35.9	-176.9	-27.8	35.9	0	0	0	113.9	T153 A158 V159 V172 E174	T153-P156 HydrophobicContact CG2-CG 4.42Å; P156-A158 PolarHBondContact O-N 2.86Å; P156-V159 WeakPolarHBondContact O-CG2 3.06Å; P156-V159 PolarHBondContact O-N 3.42Å; P156-V172 HydrophobicContact CB-CG1 3.93Å; P156-V172 HydrophobicContact CG-CG1 4.47Å; P156-E174 HydrophobicContact CG-CB 3.92Å; P156-E174 HydrophobicContact CG-CG 3.76Å
157	A	98.1	Very high	98.2	Very high	109 Å²	109	51.1 Å²	51.1	90%	0.901	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.1	178.3	0	0	0	0	0	114.1	Q155	Q155-A157 PolarHBondContact O-N 3.27Å; Q155-A157 VanDerWaalsContact O-N 3.13Å
158	A	98.1	Very high	98.2	Very high	41 Å²	41	52.3 Å²	52.3	34%	0.339	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-87	-6.9	178.2	0	0	0	0	0	113.1	V127 Q155 P156	V127-A158 HydrophobicContact CB-CB 4.12Å; V127-A158 HydrophobicContact CG1-CB 4.2Å; V127-A158 HydrophobicContact CG2-CB 4.03Å; Q155-A158 HydrophobicContact CB-CB 3.81Å; Q155-A158 WeakPolarHBondContact O-CB 3.45Å; Q155-A158 PolarHBondContact O-N 3.14Å; P156-A158 PolarHBondContact O-N 2.86Å
159	V	98.6	Very high	98.2	Very high	22 Å²	22	57.1 Å²	57.1	13%	0.133	33%	0.334	C	S	.	.	S	Bend	trans	-68.2	123	176.8	-178.8	0	0	0	0	109.3	L130 V151 T153 P156 L170 V172	L130-V159 HydrophobicContact CD1-CG1 4.45Å; L130-V159 HydrophobicContact CD1-CG2 4.17Å; V151-V159 HydrophobicContact CG1-CG1 4.42Å; V151-V159 HydrophobicContact CG1-CG2 4.02Å; T153-V159 HydrophobicContact CG2-CG2 3.82Å; P156-V159 WeakPolarHBondContact O-CG2 3.06Å; P156-V159 PolarHBondContact O-N 3.42Å; V159-L170 HydrophobicContact CG1-CD2 4.4Å; V159-V172 HydrophobicContact CB-CG2 4.14Å; V159-V172 HydrophobicContact CG1-CG2 3.97Å; V159-V172 HydrophobicContact CG2-CG1 3.91Å; V159-V172 HydrophobicContact CG2-CG2 3.98Å
160	P	97.9	Very high	98.2	Very high	34 Å²	34	59.5 Å²	59.5	22%	0.221	35%	0.347	C	S	.	.			trans	-69.6	145.7	-175.8	28.5	-34.4	0	0	0	111.4	L130 K131 L134 V162	L130-P160 HydrophobicContact CB-CG 3.84Å; K131-P160 HydrophobicContact CB-CB 4.15Å; K131-P160 HydrophobicContact CB-CG 4Å; K131-P160 HydrophobicContact CG-CB 4.42Å; L134-P160 HydrophobicContact CD1-CG 4.29Å; P160-V162 HydrophobicContact CB-CG2 4.27Å; P160-V162 HydrophobicContact CG-CG2 4.17Å; P160-V162 PolarHBondContact O-N 2.98Å
161	R	96.8	Very high	98.2	Very high	257 Å²	257	60.6 Å²	60.6	97%	0.97	35%	0.354	S	S	*	.			trans	-77.2	104	168.6	-66.2	-178.7	-176.6	161.5	0.8	108.8
162	V	97.7	Very high	98.2	Very high	28 Å²	28	63.3 Å²	63.3	17%	0.17	37%	0.371	C	S	.	.			trans	-107.8	136.6	176.7	-179.9	0	0	0	0	109	L134 E135 P160 L164	L134-V162 HydrophobicContact CB-CB 4.3Å; L134-V162 HydrophobicContact CB-CG1 4.23Å; L134-V162 HydrophobicContact CB-CG2 3.91Å; L134-V162 HydrophobicContact CD1-CG2 4.12Å; E135-V162 HydrophobicContact CG-CG1 3.87Å; E135-V162 HydrophobicContact CG-CG2 4.31Å; P160-V162 HydrophobicContact CB-CG2 4.27Å; P160-V162 HydrophobicContact CG-CG2 4.17Å; P160-V162 PolarHBondContact O-N 2.98Å; V162-L164 HydrophobicContact CG1-CD2 4.44Å; V162-L164 PolarHBondContact O-N 2.9Å
163	T	98.1	Very high	98.2	Very high	132 Å²	132	63.7 Å²	63.7	81%	0.81	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-69	122.8	173.8	-56.3	0	0	0	0	109.2
164	L	98.5	Very high	98.1	Very high	51 Å²	51	70.6 Å²	70.6	27%	0.267	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-103.4	141.5	177.8	-53	-178.6	0	0	0	110.6	E138 Y149 V162 R168 L170	E138-L164 HydrophobicContact CG-CD2 4.03Å; E138-L164 WeakPolarHBondContact OE2-CA 3.46Å; Y149-L164 HydrophobicContact CD2-CD1 4.42Å; Y149-L164 HydrophobicContact CD2-CD2 4.32Å; Y149-L164 HydrophobicContact CE2-CD2 3.95Å; V162-L164 HydrophobicContact CG1-CD2 4.44Å; V162-L164 PolarHBondContact O-N 2.9Å; L164-R168 HydrophobicContact CB-CB 4.3Å; L164-L170 HydrophobicContact CD1-CB 3.82Å
165	G	97.8	Very high	98	Very high	36 Å²	36	69.6 Å²	69.6	37%	0.371	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.1	164.6	172.1	0	0	0	0	0	112.8	E138 G167 R168	E138-G165 PolarHBondContact OE2-N 3.36Å; G165-G167 PolarHBondContact O-N 3.25Å; G165-R168 WeakPolarHBondContact O-CB 3.29Å; G165-R168 PolarHBondContact O-N 3.3Å
166	T	97.4	Very high	97.7	Very high	154 Å²	154	68.7 Å²	68.7	95%	0.945	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	138.5	178.1	-55.7	0	0	0	0	111.8	R168	T166-R168 VanDerWaalsContact C-N 3.25Å; T166-R168 PolarHBondContact O-N 3.19Å
167	G	97.6	Very high	97.4	Very high	41 Å²	41	68.6 Å²	68.6	42%	0.423	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	11.6	-179.5	0	0	0	0	0	114.1	R146 V147 G165	R146-G167 WeakPolarHBondContact CA-O 3.46Å; V147-G167 PolarHBondContact N-O 3.39Å; G165-G167 PolarHBondContact O-N 3.25Å
168	R	98.8	Very high	97.1	Very high	27 Å²	27	67.2 Å²	67.2	10%	0.102	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.8	178.9	-48.5	176.5	72.3	89.9	-10.7	109.9	E138 F141 M142 V147 Y149 L164 G165 T166	E138-R168 IonicContact OE1-CZ 2.79Å; E138-R168 IonicContact OE1-NE 2.98Å; E138-R168 PolarHBondContact OE1-NE 3.41Å; E138-R168 IonicContact OE1-NH2 3.99Å; E138-R168 WeakPolarHBondContact OE2-CD 3.03Å; E138-R168 IonicContact OE2-NE 3.72Å; E138-R168 PolarHBondContact OE2-NE 2.91Å; F141-R168 PolarHBondContact O-NH1 3.3Å; F141-R168 PolarHBondContact O-NH2 3.14Å; M142-R168 PolarHBondContact O-NH1 3.49Å; V147-R168 HydrophobicContact CB-CB 4.5Å; V147-R168 HydrophobicContact CB-CG 4.28Å; V147-R168 CarbonylContact O-C 3.56Å; V147-R168 VanDerWaalsContact O-CA 3.27Å; V147-R168 WeakPolarHBondContact O-CA 3.33Å; Y149-R168 PolarHBondContact OH-NH2 3.43Å; L164-R168 HydrophobicContact CB-CB 4.3Å; G165-R168 WeakPolarHBondContact O-CB 3.29Å; G165-R168 PolarHBondContact O-N 3.3Å; T166-R168 VanDerWaalsContact C-N 3.25Å; T166-R168 PolarHBondContact O-N 3.19Å
169	Q	98.6	Very high	96.7	Very high	103 Å²	103	74.6 Å²	74.6	48%	0.481	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.6	-178.6	65.5	-173.5	9.9	0	0	111.4	V147 H148 Y149	V147-Q169 PolarHBondContact O-N 3.42Å; H148-Q169 CarbonylContact C-O 3.45Å; H148-Q169 WeakPolarHBondContact CA-O 3.49Å; H148-Q169 HydrophobicContact CB-CG 4.2Å; H148-Q169 PolarHBondContact CE1-NE2 2.99Å; H148-Q169 PolarHBondContact ND1-NE2 3.3Å; Y149-Q169 WeakPolarHBondContact CD2-O 3.24Å; Y149-Q169 PolarHBondContact N-O 3.15Å
170	L	98.8	Very high	96.4	Very high	51 Å²	51	78.2 Å²	78.2	27%	0.267	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.1	180	-175.8	153.1	0	0	0	109.9	L134 Y149 V151 V159 L164 V172	L134-L170 HydrophobicContact CD1-CD1 3.72Å; L134-L170 HydrophobicContact CD2-CD1 3.88Å; L134-L170 HydrophobicContact CG-CD1 4.47Å; Y149-L170 HydrophobicContact CD2-CB 4.39Å; Y149-L170 CarbonylContact O-C 3.5Å; Y149-L170 WeakPolarHBondContact O-CA 3.46Å; V151-L170 HydrophobicContact CG2-CD1 3.91Å; V151-L170 HydrophobicContact CG2-CD2 4.23Å; V151-L170 HydrophobicContact CG2-CG 4.09Å; V159-L170 HydrophobicContact CG1-CD2 4.4Å; L164-L170 HydrophobicContact CD1-CB 3.82Å; L170-V172 HydrophobicContact CD2-CG2 3.7Å
171	S	98.6	Very high	96.1	Very high	22 Å²	22	79.9 Å²	79.9	15%	0.154	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.6	170.3	-70.3	0	0	0	0	110	H148 Y149 V151	H148-S171 WeakPolarHBondContact NE2-CB 3.33Å; H148-S171 PolarHBondContact NE2-OG 3.32Å; Y149-S171 PolarHBondContact O-N 2.94Å; V151-S171 PolarHBondContact N-O 2.79Å
172	V	98.6	Very high	95.9	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.345	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.6	172.4	-176.5	0	0	0	0	108.2	T153 P156 V159 L170	T153-V172 HydrophobicContact CG2-CG1 3.68Å; P156-V172 HydrophobicContact CB-CG1 3.93Å; P156-V172 HydrophobicContact CG-CG1 4.47Å; V159-V172 HydrophobicContact CB-CG2 4.14Å; V159-V172 HydrophobicContact CG1-CG2 3.97Å; V159-V172 HydrophobicContact CG2-CG1 3.91Å; V159-V172 HydrophobicContact CG2-CG2 3.98Å; L170-V172 HydrophobicContact CD2-CG2 3.7Å
173	L	98.3	Very high	95.7	Very high	8 Å²	8	69.7 Å²	69.7	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105	-177.8	-54	-179.4	0	0	0	108	Y150 V151 F152 T153 V175 F195	Y150-L173 HydrophobicContact CD1-CD1 4.06Å; Y150-L173 HydrophobicContact CG-CD1 4.41Å; V151-L173 PolarHBondContact O-N 2.78Å; F152-L173 WeakPolarHBondContact CA-O 3.35Å; F152-L173 HydrophobicContact CD1-CB 3.96Å; F152-L173 HydrophobicContact CD1-CD1 4.16Å; F152-L173 HydrophobicContact CD2-CD1 4.24Å; F152-L173 HydrophobicContact CE1-CB 4.17Å; F152-L173 HydrophobicContact CE1-CD1 3.67Å; F152-L173 HydrophobicContact CE2-CD1 3.73Å; F152-L173 HydrophobicContact CG-CB 4.32Å; F152-L173 HydrophobicContact CG-CD1 4.44Å; F152-L173 HydrophobicContact CZ-CD1 3.44Å; F152-L173 VanDerWaalsContact CZ-CD1 3.44Å; T153-L173 PolarHBondContact N-O 3.44Å; L173-V175 PolarHBondContact O-N 3.36Å; L173-F195 HydrophobicContact CB-CE1 4.25Å; L173-F195 HydrophobicContact CB-CZ 4.11Å; L173-F195 HydrophobicContact CD1-CD1 3.65Å; L173-F195 HydrophobicContact CD1-CE1 3.66Å; L173-F195 HydrophobicContact CD1-CG 4.19Å; L173-F195 HydrophobicContact CD1-CZ 4.17Å; L173-F195 HydrophobicContact CD2-CD1 4.33Å; L173-F195 HydrophobicContact CD2-CE1 3.71Å; L173-F195 HydrophobicContact CD2-CZ 4.36Å; L173-F195 HydrophobicContact CG-CE1 4.07Å; L173-F195 HydrophobicContact CG-CZ 4.44Å
174	E	97.7	Very high	95.4	Very high	146 Å²	146	64.9 Å²	64.9	68%	0.682	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.2	-179.3	-170.6	172.5	-173.1	0	0	110.8	T153 P156	T153-E174 WeakPolarHBondContact O-CA 3.49Å; P156-E174 HydrophobicContact CG-CB 3.92Å; P156-E174 HydrophobicContact CG-CG 3.76Å
175	V	96.1	Very high	95.2	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.127	35%	0.352	C	S	.	.			trans	-140.2	155.5	179.6	-65.7	0	0	0	0	111.3	I123 F152 T153 D154 L173 M191	I123-V175 HydrophobicContact CD1-CG2 3.62Å; F152-V175 HydrophobicContact CB-CG2 4.25Å; F152-V175 HydrophobicContact CD1-CG1 3.83Å; T153-V175 PolarHBondContact O-N 2.67Å; D154-V175 WeakPolarHBondContact CA-O 3.18Å; L173-V175 PolarHBondContact O-N 3.36Å; V175-M191 HydrophobicContact CB-CE 4.05Å; V175-M191 HydrophobicContact CB-SD 3.84Å; V175-M191 HydrophobicContact CG1-SD 3.86Å; V175-M191 HydrophobicContact CG2-CE 4.35Å; V175-M191 HydrophobicContact CG2-SD 3.89Å
176	G	90.8	Very high	95.1	Very high	53 Å²	53	63 Å²	63	55%	0.546	34%	0.34	S	S	.	.			trans	-68.8	144.1	178	0	0	0	0	0	113.3
177	A	92.1	Very high	95.1	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	30%	0.301	S	S	.	.			trans	-91.5	114.9	174.1	0	0	0	0	0	111.9	I123 K124 D154	I123-A177 HydrophobicContact CG2-CB 3.81Å; K124-A177 HydrophobicContact CG-CB 4.31Å; D154-A177 HydrophobicContact CB-CB 3.77Å; D154-A177 WeakPolarHBondContact OD2-CB 3.39Å
178	Y	92.1	Very high	95.1	Very high	80 Å²	80	56 Å²	56	31%	0.314	28%	0.283	S	S	.	.			trans	-71.8	149.2	171.1	-71	-94.2	0	0	0	111.6	K124 D183 V184 R187 M191	K124-Y178 WeakPolarHBondContact CE-O 3.37Å; K124-Y178 PolarHBondContact NZ-O 3.12Å; Y178-D183 HydrophobicContact CD1-CB 4.01Å; Y178-D183 HydrophobicContact CG-CB 3.92Å; Y178-V184 WeakPolarHBondContact O-CG2 3.4Å; Y178-R187 HydrophobicContact CD1-CG 4.39Å; Y178-R187 HydrophobicContact CD2-CB 4.09Å; Y178-R187 HydrophobicContact CD2-CG 3.86Å; Y178-R187 HydrophobicContact CE1-CG 4.07Å; Y178-R187 HydrophobicContact CE2-CB 3.73Å; Y178-R187 HydrophobicContact CE2-CG 3.5Å; Y178-R187 VanDerWaalsContact CE2-CG 3.5Å; Y178-R187 HydrophobicContact CG-CG 4.3Å; Y178-R187 WeakPolarHBondContact OH-CD 3.29Å; Y178-M191 HydrophobicContact CD2-CE 4.46Å; Y178-M191 HydrophobicContact CE2-CE 3.85Å
179	K	90	Very high	95	Very high	196 Å²	196	54.7 Å²	54.7	85%	0.852	28%	0.278	S	S	*	.	S	Bend	trans	-66.1	-47.9	-175.8	-172.8	177.3	179.4	-179.9	0	112.7	K124	K124-K179 PolarHBondContact NZ-O 3.49Å
180	R	92.8	Very high	95	Very high	98 Å²	98	52.1 Å²	52.1	37%	0.37	27%	0.266	S	S	.	.	S	Bend	trans	-83.9	142.7	-178.4	-60.4	169.1	59.9	-134.2	5.1	110.4	Q182 D183 V184 E297	R180-Q182 PolarHBondContact O-N 2.9Å; R180-D183 HydrophobicContact CB-CB 4.37Å; R180-D183 WeakPolarHBondContact CB-OD2 3.38Å; R180-D183 WeakPolarHBondContact CD-OD2 3.29Å; R180-D183 IonicContact CZ-OD1 2.62Å; R180-D183 IonicContact NH1-OD1 2.73Å; R180-D183 PolarHBondContact NH1-OD1 3.31Å; R180-D183 IonicContact NH1-OD2 3.49Å; R180-D183 PolarHBondContact O-N 3.38Å; R180-V184 WeakPolarHBondContact O-CG2 3.22Å; R180-V184 PolarHBondContact O-N 3.15Å; R180-V184 VanDerWaalsContact O-N 3.15Å; R180-E297 IonicContact CZ-OE1 3.56Å; R180-E297 IonicContact CZ-OE2 2.73Å; R180-E297 VanDerWaalsContact CZ-OE2 3.3Å; R180-E297 IonicContact NH1-OE2 3.25Å; R180-E297 PolarHBondContact NH1-OE2 3.23Å; R180-E297 VanDerWaalsContact NH2-CD 3.26Å; R180-E297 IonicContact NH2-OE1 3.59Å; R180-E297 PolarHBondContact NH2-OE1 3.39Å; R180-E297 IonicContact NH2-OE2 3.77Å; R180-E297 PolarHBondContact NH2-OE2 2.77Å
181	W	91.6	Very high	95	Very high	70 Å²	70	50.9 Å²	50.9	27%	0.265	26%	0.259	S	S	.	.	H	α-helix	trans	-66.1	-29.7	176.7	70.1	-94.8	0	0	0	111.8	V184 S185 H301 R352	W181-V184 PolarHBondContact O-N 3.15Å; W181-S185 PolarHBondContact O-N 2.98Å; W181-H301 AromaticContact CH2-CE1 3.33Å; W181-H301 WeakPolarHBondContact CH2-CE1 3.47Å; W181-H301 AromaticContact CH2-ND1 3.77Å; W181-H301 AromaticContact CZ2-CE1 3.98Å; W181-H301 AromaticContact CZ3-CE1 3.98Å; W181-R352 HydrophobicContact CB-CB 3.97Å; W181-R352 HydrophobicContact CB-CG 3.91Å; W181-R352 HydrophobicContact CG-CB 4.13Å; W181-R352 HydrophobicContact CG-CG 4.01Å
182	Q	93	Very high	95	Very high	37 Å²	37	49.9 Å²	49.9	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-51	172.8	-63.9	90.2	-26.8	0	0	110.8	R180 V184 S185 M186 H301	R180-Q182 PolarHBondContact O-N 2.9Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.68Å; Q182-S185 WeakPolarHBondContact O-CB 3.42Å; Q182-S185 PolarHBondContact O-N 3.09Å; Q182-S185 VanDerWaalsContact O-N 3.14Å; Q182-M186 HydrophobicContact CB-CE 4.26Å; Q182-M186 WeakPolarHBondContact O-CB 3.35Å; Q182-M186 WeakPolarHBondContact O-CG 3.44Å; Q182-M186 PolarHBondContact O-N 2.84Å; Q182-H301 VanDerWaalsContact CG-CD2 3.45Å; Q182-H301 WeakPolarHBondContact CG-CD2 3.28Å; Q182-H301 WeakPolarHBondContact CG-NE2 3.47Å
183	D	93.3	Very high	95	Very high	34 Å²	34	47.4 Å²	47.4	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-38.6	179.3	-59.9	-30.4	0	0	0	111	Y178 R180 S185 M186 R187	Y178-D183 HydrophobicContact CD1-CB 4.01Å; Y178-D183 HydrophobicContact CG-CB 3.92Å; R180-D183 HydrophobicContact CB-CB 4.37Å; R180-D183 WeakPolarHBondContact CB-OD2 3.38Å; R180-D183 WeakPolarHBondContact CD-OD2 3.29Å; R180-D183 IonicContact CZ-OD1 2.62Å; R180-D183 IonicContact NH1-OD1 2.73Å; R180-D183 PolarHBondContact NH1-OD1 3.31Å; R180-D183 IonicContact NH1-OD2 3.49Å; R180-D183 PolarHBondContact O-N 3.38Å; D183-S185 VanDerWaalsContact C-N 3.32Å; D183-S185 PolarHBondContact O-N 3.05Å; D183-M186 PolarHBondContact O-N 2.91Å; D183-M186 WeakPolarHBondContact OD1-CE 3.44Å; D183-R187 WeakPolarHBondContact O-CB 3.36Å; D183-R187 WeakPolarHBondContact O-CG 3.34Å; D183-R187 PolarHBondContact O-N 3.29Å
184	V	91.6	Very high	94.9	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-58.6	-44	173.5	172.9	0	0	0	0	111.1	I123 Y178 R180 W181 Q182 R188	I123-V184 HydrophobicContact CB-CG1 3.8Å; I123-V184 HydrophobicContact CG1-CG1 3.99Å; I123-V184 HydrophobicContact CG2-CG1 3.98Å; I123-V184 HydrophobicContact CG2-CG2 4.02Å; Y178-V184 WeakPolarHBondContact O-CG2 3.4Å; R180-V184 WeakPolarHBondContact O-CG2 3.22Å; R180-V184 PolarHBondContact O-N 3.15Å; R180-V184 VanDerWaalsContact O-N 3.15Å; W181-V184 PolarHBondContact O-N 3.15Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.68Å; V184-R188 WeakPolarHBondContact O-CG 3.49Å
185	S	93.3	Very high	94.9	Very high	27 Å²	27	44 Å²	44	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-47.8	177.8	-165.7	0	0	0	0	112.3	W181 Q182 D183 R188 D302	W181-S185 PolarHBondContact O-N 2.98Å; Q182-S185 WeakPolarHBondContact O-CB 3.42Å; Q182-S185 PolarHBondContact O-N 3.09Å; Q182-S185 VanDerWaalsContact O-N 3.14Å; D183-S185 VanDerWaalsContact C-N 3.32Å; D183-S185 PolarHBondContact O-N 3.05Å; S185-R188 WeakPolarHBondContact O-CB 3.42Å; S185-R188 VanDerWaalsContact O-CG 3.27Å; S185-R188 WeakPolarHBondContact O-CG 3.35Å; S185-R188 PolarHBondContact O-N 3.49Å; S185-R188 PolarHBondContact O-NE 2.97Å; S185-R188 VanDerWaalsContact O-NE 3.12Å; S185-D302 WeakPolarHBondContact CB-OD1 3.19Å; S185-D302 PolarHBondContact OG-OD1 2.95Å; S185-D302 PolarHBondContact OG-OD2 3.5Å
186	M	96.6	Very high	95	Very high	22 Å²	22	43 Å²	43	11%	0.108	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-40.7	-176.9	-71.9	-170.6	-61.4	0	0	113	Q182 D183 R188 M189 M288 E297 H301	Q182-M186 HydrophobicContact CB-CE 4.26Å; Q182-M186 WeakPolarHBondContact O-CB 3.35Å; Q182-M186 WeakPolarHBondContact O-CG 3.44Å; Q182-M186 PolarHBondContact O-N 2.84Å; D183-M186 PolarHBondContact O-N 2.91Å; D183-M186 WeakPolarHBondContact OD1-CE 3.44Å; M186-R188 PolarHBondContact O-N 2.95Å; M186-M189 PolarHBondContact O-N 3.1Å; M186-M288 HydrophobicContact CB-CE 4.39Å; M186-M288 HydrophobicContact CB-SD 3.55Å; M186-M288 VanDerWaalsContact CB-SD 3.55Å; M186-M288 HydrophobicContact CG-SD 3.62Å; M186-M288 VanDerWaalsContact O-CE 3.28Å; M186-M288 WeakPolarHBondContact O-CE 3.38Å; M186-M288 HydrophobicContact SD-SD 3.96Å; M186-E297 HydrophobicContact CE-CG 4.25Å; M186-E297 WeakPolarHBondContact CE-OE2 3.48Å; M186-E297 HydrophobicContact SD-CG 4.19Å; M186-H301 HydrophobicContact CG-CB 3.7Å; M186-H301 HydrophobicContact SD-CB 4.06Å
187	R	96.6	Very high	95	Very high	34 Å²	34	46 Å²	46	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-71.8	-10	-175.9	-64.5	-77	176.4	-174.6	-3.9	113.2	Y178 D183 M189 E190 M191	Y178-R187 HydrophobicContact CD1-CG 4.39Å; Y178-R187 HydrophobicContact CD2-CB 4.09Å; Y178-R187 HydrophobicContact CD2-CG 3.86Å; Y178-R187 HydrophobicContact CE1-CG 4.07Å; Y178-R187 HydrophobicContact CE2-CB 3.73Å; Y178-R187 HydrophobicContact CE2-CG 3.5Å; Y178-R187 VanDerWaalsContact CE2-CG 3.5Å; Y178-R187 HydrophobicContact CG-CG 4.3Å; Y178-R187 WeakPolarHBondContact OH-CD 3.29Å; D183-R187 WeakPolarHBondContact O-CB 3.36Å; D183-R187 WeakPolarHBondContact O-CG 3.34Å; D183-R187 PolarHBondContact O-N 3.29Å; R187-M189 PolarHBondContact O-N 3.06Å; R187-E190 WeakPolarHBondContact CD-OE2 3.36Å; R187-E190 IonicContact CZ-OE2 3.97Å; R187-E190 IonicContact NE-OE2 2.79Å; R187-E190 IonicContact NH1-OE2 3.7Å; R187-E190 PolarHBondContact NH1-OE2 3.08Å; R187-E190 WeakPolarHBondContact O-CB 3.04Å; R187-E190 PolarHBondContact O-N 3.25Å; R187-M191 HydrophobicContact CB-CE 4.23Å; R187-M191 WeakPolarHBondContact O-CG 3.33Å; R187-M191 PolarHBondContact O-N 2.84Å
188	R	97.3	Very high	95.1	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.045	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-38.9	169.4	-60.4	-173.5	-60.5	147	5.1	111.7	F121 V184 S185 M186 E190 M191 I192 D211 G267 D302	F121-R188 HydrophobicContact CB-CG 4.28Å; F121-R188 HydrophobicContact CD1-CG 3.85Å; F121-R188 HydrophobicContact CD2-CB 4.08Å; F121-R188 HydrophobicContact CD2-CG 3.62Å; F121-R188 HydrophobicContact CE1-CB 4.36Å; F121-R188 HydrophobicContact CE1-CG 4.07Å; F121-R188 HydrophobicContact CE2-CB 3.8Å; F121-R188 HydrophobicContact CE2-CG 3.85Å; F121-R188 HydrophobicContact CG-CB 4.48Å; F121-R188 HydrophobicContact CG-CG 3.63Å; F121-R188 HydrophobicContact CZ-CB 3.95Å; F121-R188 HydrophobicContact CZ-CG 4.07Å; V184-R188 WeakPolarHBondContact O-CG 3.49Å; S185-R188 WeakPolarHBondContact O-CB 3.42Å; S185-R188 VanDerWaalsContact O-CG 3.27Å; S185-R188 WeakPolarHBondContact O-CG 3.35Å; S185-R188 PolarHBondContact O-N 3.49Å; S185-R188 PolarHBondContact O-NE 2.97Å; S185-R188 VanDerWaalsContact O-NE 3.12Å; M186-R188 PolarHBondContact O-N 2.95Å; R188-E190 PolarHBondContact O-N 3.03Å; R188-M191 PolarHBondContact O-N 2.92Å; R188-I192 HydrophobicContact CB-CD1 4.4Å; R188-I192 WeakPolarHBondContact O-CB 3.16Å; R188-I192 WeakPolarHBondContact O-CD1 3.47Å; R188-I192 WeakPolarHBondContact O-CG1 3.23Å; R188-I192 PolarHBondContact O-N 3.48Å; R188-D211 IonicContact CZ-OD1 3.3Å; R188-D211 VanDerWaalsContact CZ-OD1 3.32Å; R188-D211 IonicContact NH1-OD1 3.5Å; R188-D211 PolarHBondContact NH1-OD1 3.13Å; R188-D211 IonicContact NH2-OD1 2.9Å; R188-G267 PolarHBondContact NH2-O 2.95Å; R188-D302 IonicContact CZ-OD2 2.85Å; R188-D302 IonicContact NE-OD2 3.8Å; R188-D302 IonicContact NH2-OD2 3.15Å; R188-D302 PolarHBondContact NH2-OD2 3.43Å
189	M	98.3	Very high	95.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-44.8	179.4	-63.2	-64.8	178.7	0	0	111.7	M186 R187 S193 F270 L280 T281 C284 H285 M288 D302	M186-M189 PolarHBondContact O-N 3.1Å; R187-M189 PolarHBondContact O-N 3.06Å; M189-S193 WeakPolarHBondContact O-CB 3.44Å; M189-S193 PolarHBondContact O-N 2.91Å; M189-S193 VanDerWaalsContact O-N 3.09Å; M189-S193 PolarHBondContact O-OG 2.74Å; M189-F270 HydrophobicContact CE-CE1 4.05Å; M189-F270 HydrophobicContact CE-CZ 4Å; M189-F270 HydrophobicContact SD-CZ 4.11Å; M189-L280 HydrophobicContact SD-CD2 4.15Å; M189-T281 WeakPolarHBondContact O-CB 3.5Å; M189-T281 HydrophobicContact SD-CG2 3.85Å; M189-C284 HydrophobicContact CB-CB 4.33Å; M189-C284 HydrophobicContact CG-CB 3.94Å; M189-C284 HydrophobicContact SD-CB 4.03Å; M189-H285 HydrophobicContact CB-CB 4.19Å; M189-M288 HydrophobicContact CB-CE 3.64Å; M189-M288 HydrophobicContact CG-CE 3.6Å; M189-D302 HydrophobicContact CE-CB 3.91Å; M189-D302 HydrophobicContact CG-CB 4.29Å
190	E	98.3	Very high	95.6	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-54.4	174.8	-174.6	178.1	-179.5	0	0	110.7	R187 R188 I192 S193 D194 H285	R187-E190 WeakPolarHBondContact CD-OE2 3.36Å; R187-E190 IonicContact CZ-OE2 3.97Å; R187-E190 IonicContact NE-OE2 2.79Å; R187-E190 IonicContact NH1-OE2 3.7Å; R187-E190 PolarHBondContact NH1-OE2 3.08Å; R187-E190 WeakPolarHBondContact O-CB 3.04Å; R187-E190 PolarHBondContact O-N 3.25Å; R188-E190 PolarHBondContact O-N 3.03Å; E190-I192 PolarHBondContact O-N 3.08Å; E190-S193 PolarHBondContact O-N 2.94Å; E190-S193 VanDerWaalsContact O-N 3.09Å; E190-S193 PolarHBondContact O-OG 3.24Å; E190-D194 PolarHBondContact O-N 3.29Å; E190-H285 IonicContact OE2-CE1 3.59Å; E190-H285 PolarHBondContact OE2-CE1 3.03Å; E190-H285 IonicContact OE2-ND1 3.4Å
191	M	98	Very high	95.7	Very high	25 Å²	25	41.7 Å²	41.7	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-175.4	-65.3	178	-172.4	0	0	112.3	F121 F152 V175 Y178 R187 R188 S193 D194 F195	F121-M191 HydrophobicContact CD1-SD 4.38Å; F121-M191 HydrophobicContact CE1-CB 3.93Å; F121-M191 HydrophobicContact CE1-CG 4.38Å; F121-M191 HydrophobicContact CE1-SD 3.57Å; F121-M191 VanDerWaalsContact CE1-SD 3.57Å; F121-M191 HydrophobicContact CZ-CB 3.88Å; F121-M191 HydrophobicContact CZ-SD 4.45Å; F152-M191 HydrophobicContact CD1-CB 4.45Å; F152-M191 HydrophobicContact CE1-CB 4.19Å; V175-M191 HydrophobicContact CB-CE 4.05Å; V175-M191 HydrophobicContact CB-SD 3.84Å; V175-M191 HydrophobicContact CG1-SD 3.86Å; V175-M191 HydrophobicContact CG2-CE 4.35Å; V175-M191 HydrophobicContact CG2-SD 3.89Å; Y178-M191 HydrophobicContact CD2-CE 4.46Å; Y178-M191 HydrophobicContact CE2-CE 3.85Å; R187-M191 HydrophobicContact CB-CE 4.23Å; R187-M191 WeakPolarHBondContact O-CG 3.33Å; R187-M191 PolarHBondContact O-N 2.84Å; R188-M191 PolarHBondContact O-N 2.92Å; M191-S193 VanDerWaalsContact C-N 3.35Å; M191-D194 PolarHBondContact O-N 3.03Å; M191-F195 VanDerWaalsContact O-CD2 3.29Å; M191-F195 WeakPolarHBondContact O-CD2 3.47Å; M191-F195 PolarHBondContact O-N 3.45Å; M191-F195 VanDerWaalsContact O-N 3.08Å
192	I	98.6	Very high	96	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-44.3	174.8	-65.5	161	0	0	0	110	F121 R188 E190 D194 F195 C196 F200 C209 F270 V277 T281	F121-I192 HydrophobicContact CE2-CD1 3.98Å; F121-I192 HydrophobicContact CE2-CG1 3.83Å; F121-I192 HydrophobicContact CZ-CG1 4.03Å; R188-I192 HydrophobicContact CB-CD1 4.4Å; R188-I192 WeakPolarHBondContact O-CB 3.16Å; R188-I192 WeakPolarHBondContact O-CD1 3.47Å; R188-I192 WeakPolarHBondContact O-CG1 3.23Å; R188-I192 PolarHBondContact O-N 3.48Å; E190-I192 PolarHBondContact O-N 3.08Å; I192-D194 VanDerWaalsContact C-N 3.34Å; I192-D194 PolarHBondContact O-N 2.81Å; I192-F195 PolarHBondContact O-N 3.01Å; I192-C196 PolarHBondContact O-N 3.49Å; I192-C196 PolarHBondContact O-SG 3.17Å; I192-F200 HydrophobicContact CG2-CE2 4.36Å; I192-C209 HydrophobicContact CD1-CB 4.19Å; I192-F270 HydrophobicContact CD1-CZ 4.21Å; I192-V277 HydrophobicContact CG2-CG1 3.81Å; I192-T281 HydrophobicContact CB-CG2 4.01Å; I192-T281 HydrophobicContact CD1-CG2 4.43Å; I192-T281 HydrophobicContact CG2-CG2 3.78Å
193	S	97.9	Very high	96.3	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-37.8	-178.8	79.3	0	0	0	0	112.9	M189 E190 M191 C196 T281	M189-S193 WeakPolarHBondContact O-CB 3.44Å; M189-S193 PolarHBondContact O-N 2.91Å; M189-S193 VanDerWaalsContact O-N 3.09Å; M189-S193 PolarHBondContact O-OG 2.74Å; E190-S193 PolarHBondContact O-N 2.94Å; E190-S193 VanDerWaalsContact O-N 3.09Å; E190-S193 PolarHBondContact O-OG 3.24Å; M191-S193 VanDerWaalsContact C-N 3.35Å; S193-C196 WeakPolarHBondContact O-CB 3.38Å; S193-C196 PolarHBondContact O-N 3.4Å; S193-T281 WeakPolarHBondContact CB-OG1 3.31Å
194	D	97.3	Very high	96.5	Very high	55 Å²	55	43 Å²	43	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-46.6	174.9	-86.6	12.6	0	0	0	111.4	E190 M191 I192 C196 E197 R198	E190-D194 PolarHBondContact O-N 3.29Å; M191-D194 PolarHBondContact O-N 3.03Å; I192-D194 VanDerWaalsContact C-N 3.34Å; I192-D194 PolarHBondContact O-N 2.81Å; D194-C196 VanDerWaalsContact C-N 3.29Å; D194-C196 PolarHBondContact O-N 3.2Å; D194-E197 PolarHBondContact O-N 2.97Å; D194-R198 VanDerWaalsContact O-CG 3.31Å; D194-R198 WeakPolarHBondContact O-CG 3.26Å; D194-R198 PolarHBondContact O-N 3.32Å; D194-R198 VanDerWaalsContact O-N 3.13Å; D194-R198 IonicContact OD2-CZ 3.52Å; D194-R198 IonicContact OD2-NH2 3.7Å; D194-R198 PolarHBondContact OD2-NH2 2.81Å
195	F	98.1	Very high	96.9	Very high	28 Å²	28	45.3 Å²	45.3	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-75	-18.4	-179	-83.4	-94.1	0	0	0	113.5	F152 L173 M191 I192 E197 R198 R199 F200	F152-F195 AromaticContact CE1-CD2 3.49Å; F152-F195 HydrophobicContact CE1-CD2 3.49Å; F152-F195 VanDerWaalsContact CE1-CD2 3.49Å; F152-F195 AromaticContact CE1-CE2 3.67Å; F152-F195 HydrophobicContact CE1-CE2 3.67Å; F152-F195 AromaticContact CE1-CG 3.96Å; F152-F195 HydrophobicContact CE1-CG 3.96Å; F152-F195 HydrophobicContact CE1-CZ 4.32Å; F152-F195 HydrophobicContact CZ-CB 4.12Å; F152-F195 AromaticContact CZ-CD2 3.94Å; F152-F195 HydrophobicContact CZ-CD2 3.94Å; F152-F195 HydrophobicContact CZ-CE2 4.48Å; F152-F195 AromaticContact CZ-CG 3.97Å; F152-F195 HydrophobicContact CZ-CG 3.97Å; L173-F195 HydrophobicContact CB-CE1 4.25Å; L173-F195 HydrophobicContact CB-CZ 4.11Å; L173-F195 HydrophobicContact CD1-CD1 3.65Å; L173-F195 HydrophobicContact CD1-CE1 3.66Å; L173-F195 HydrophobicContact CD1-CG 4.19Å; L173-F195 HydrophobicContact CD1-CZ 4.17Å; L173-F195 HydrophobicContact CD2-CD1 4.33Å; L173-F195 HydrophobicContact CD2-CE1 3.71Å; L173-F195 HydrophobicContact CD2-CZ 4.36Å; L173-F195 HydrophobicContact CG-CE1 4.07Å; L173-F195 HydrophobicContact CG-CZ 4.44Å; M191-F195 VanDerWaalsContact O-CD2 3.29Å; M191-F195 WeakPolarHBondContact O-CD2 3.47Å; M191-F195 PolarHBondContact O-N 3.45Å; M191-F195 VanDerWaalsContact O-N 3.08Å; I192-F195 PolarHBondContact O-N 3.01Å; F195-E197 VanDerWaalsContact C-N 3.29Å; F195-E197 PolarHBondContact O-N 3.14Å; F195-R198 PolarHBondContact O-N 2.81Å; F195-R199 HydrophobicContact CD1-CG 4.25Å; F195-R199 PolarHBondContact O-N 3.44Å; F195-F200 HydrophobicContact CB-CD2 4.06Å; F195-F200 HydrophobicContact CB-CE1 3.99Å; F195-F200 HydrophobicContact CB-CE2 3.4Å; F195-F200 VanDerWaalsContact CB-CE2 3.4Å; F195-F200 HydrophobicContact CB-CZ 3.38Å; F195-F200 HydrophobicContact CG-CZ 4.31Å; F195-F200 WeakPolarHBondContact O-CD2 3.25Å; F195-F200 WeakPolarHBondContact O-CG 3.38Å; F195-F200 PolarHBondContact O-N 2.81Å
196	C	96.8	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-56.1	-47.4	166.6	-70.9	0	0	0	0	110.8	I192 S193 D194 F200 L201 V274 Q278	I192-C196 PolarHBondContact O-N 3.49Å; I192-C196 PolarHBondContact O-SG 3.17Å; S193-C196 WeakPolarHBondContact O-CB 3.38Å; S193-C196 PolarHBondContact O-N 3.4Å; D194-C196 VanDerWaalsContact C-N 3.29Å; D194-C196 PolarHBondContact O-N 3.2Å; C196-F200 HydrophobicContact CB-CD2 4.29Å; C196-F200 VanDerWaalsContact N-CD2 3.31Å; C196-L201 VanDerWaalsContact O-CG 3.24Å; C196-L201 WeakPolarHBondContact O-CG 3.27Å; C196-L201 PolarHBondContact O-N 2.62Å; C196-V274 HydrophobicContact CB-CG1 4.19Å; C196-Q278 HydrophobicContact CB-CB 3.8Å; C196-Q278 HydrophobicContact CB-CG 3.82Å
197	E	91.9	Very high	97.2	Very high	115 Å²	115	44.9 Å²	44.9	54%	0.537	22%	0.216	S	C	.	.	I	π-helix	trans	-73.4	-39.3	179.3	-64.4	-171.7	164.4	0	0	112.7	D194 F195 Q278 R282	D194-E197 PolarHBondContact O-N 2.97Å; F195-E197 VanDerWaalsContact C-N 3.29Å; F195-E197 PolarHBondContact O-N 3.14Å; E197-Q278 PolarHBondContact OE1-NE2 2.78Å; E197-R282 IonicContact OE1-CZ 3.52Å; E197-R282 IonicContact OE1-NH1 3.63Å; E197-R282 IonicContact OE1-NH2 2.63Å; E197-R282 PolarHBondContact OE1-NH2 3.12Å
198	R	93.3	Very high	97.4	Very high	160 Å²	160	43.3 Å²	43.3	60%	0.604	21%	0.21	S	C	*	.	I	π-helix	trans	-77.6	-33.4	-173.4	-64.7	173.1	-167.3	-175.6	10.9	113.6	D194 F195	D194-R198 VanDerWaalsContact O-CG 3.31Å; D194-R198 WeakPolarHBondContact O-CG 3.26Å; D194-R198 PolarHBondContact O-N 3.32Å; D194-R198 VanDerWaalsContact O-N 3.13Å; D194-R198 IonicContact OD2-CZ 3.52Å; D194-R198 IonicContact OD2-NH2 3.7Å; D194-R198 PolarHBondContact OD2-NH2 2.81Å; F195-R198 PolarHBondContact O-N 2.81Å
199	R	95.1	Very high	97.4	Very high	72 Å²	72	42.8 Å²	42.8	27%	0.272	21%	0.208	S	C	.	.	I	π-helix	trans	-141.9	-51.9	-169.2	-65.4	-164	71.6	163.5	1.4	114.3	F195 L201 S202 E203	F195-R199 HydrophobicContact CD1-CG 4.25Å; F195-R199 PolarHBondContact O-N 3.44Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.64Å; R199-S202 PolarHBondContact O-N 3.38Å; R199-S202 PolarHBondContact O-OG 2.64Å; R199-E203 IonicContact CZ-OE1 3.57Å; R199-E203 VanDerWaalsContact CZ-OE1 3.25Å; R199-E203 IonicContact CZ-OE2 3.62Å; R199-E203 IonicContact NE-OE1 2.76Å; R199-E203 PolarHBondContact NE-OE1 3.04Å; R199-E203 IonicContact NE-OE2 3.46Å; R199-E203 PolarHBondContact NE-OE2 3.25Å; R199-E203 IonicContact NH2-OE1 3.89Å; R199-E203 PolarHBondContact NH2-OE1 3.33Å; R199-E203 IonicContact NH2-OE2 2.69Å; R199-E203 WeakPolarHBondContact O-CG 3.45Å; R199-E203 PolarHBondContact O-N 3.35Å
200	F	97.9	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-64.2	-37.7	-162.8	-51	-35.8	0	0	0	112.6	T119 Y150 F152 I192 F195 C196 S202 E203 V204 L207 V274	T119-F200 HydrophobicContact CG2-CE2 4.1Å; T119-F200 HydrophobicContact CG2-CZ 3.82Å; Y150-F200 HydrophobicContact CD1-CD1 4.32Å; Y150-F200 AromaticContact CD1-CE1 3.61Å; Y150-F200 HydrophobicContact CD1-CE1 3.61Å; Y150-F200 HydrophobicContact CD2-CD1 4.03Å; Y150-F200 AromaticContact CD2-CE1 3.54Å; Y150-F200 HydrophobicContact CD2-CE1 3.54Å; Y150-F200 HydrophobicContact CD2-CZ 4.27Å; Y150-F200 AromaticContact CE1-CD1 3.93Å; Y150-F200 HydrophobicContact CE1-CD1 3.93Å; Y150-F200 AromaticContact CE1-CE1 3.69Å; Y150-F200 HydrophobicContact CE1-CE1 3.69Å; Y150-F200 AromaticContact CE2-CD1 3.63Å; Y150-F200 HydrophobicContact CE2-CD1 3.63Å; Y150-F200 AromaticContact CE2-CE1 3.64Å; Y150-F200 HydrophobicContact CE2-CE1 3.64Å; Y150-F200 HydrophobicContact CG-CD1 4.33Å; Y150-F200 AromaticContact CG-CE1 3.5Å; Y150-F200 HydrophobicContact CG-CE1 3.5Å; Y150-F200 HydrophobicContact CG-CZ 4.19Å; Y150-F200 AromaticContact CZ-CD1 3.56Å; Y150-F200 AromaticContact CZ-CE1 3.69Å; F152-F200 HydrophobicContact CE2-CZ 4.16Å; F152-F200 AromaticContact CZ-CZ 3.89Å; F152-F200 HydrophobicContact CZ-CZ 3.89Å; I192-F200 HydrophobicContact CG2-CE2 4.36Å; F195-F200 HydrophobicContact CB-CD2 4.06Å; F195-F200 HydrophobicContact CB-CE1 3.99Å; F195-F200 HydrophobicContact CB-CE2 3.4Å; F195-F200 VanDerWaalsContact CB-CE2 3.4Å; F195-F200 HydrophobicContact CB-CZ 3.38Å; F195-F200 HydrophobicContact CG-CZ 4.31Å; F195-F200 WeakPolarHBondContact O-CD2 3.25Å; F195-F200 WeakPolarHBondContact O-CG 3.38Å; F195-F200 PolarHBondContact O-N 2.81Å; C196-F200 HydrophobicContact CB-CD2 4.29Å; C196-F200 VanDerWaalsContact N-CD2 3.31Å; F200-S202 PolarHBondContact O-N 2.98Å; F200-S202 VanDerWaalsContact O-N 3.1Å; F200-E203 PolarHBondContact O-N 3.47Å; F200-E203 VanDerWaalsContact O-N 3.08Å; F200-V204 HydrophobicContact CB-CG2 3.97Å; F200-V204 WeakPolarHBondContact O-CG2 3.33Å; F200-V204 PolarHBondContact O-N 2.72Å; F200-L207 HydrophobicContact CB-CD1 3.9Å; F200-L207 HydrophobicContact CB-CD2 4.22Å; F200-L207 HydrophobicContact CB-CG 4.38Å; F200-L207 HydrophobicContact CD1-CD2 4.26Å; F200-L207 HydrophobicContact CD2-CD1 3.42Å; F200-L207 VanDerWaalsContact CD2-CD1 3.42Å; F200-L207 HydrophobicContact CD2-CD2 3.93Å; F200-L207 HydrophobicContact CD2-CG 4.31Å; F200-L207 HydrophobicContact CE2-CD1 4.15Å; F200-L207 HydrophobicContact CE2-CD2 4.3Å; F200-L207 HydrophobicContact CG-CD1 3.89Å; F200-L207 HydrophobicContact CG-CD2 3.9Å; F200-L207 HydrophobicContact CG-CG 4.43Å; F200-V274 HydrophobicContact CB-CG1 3.86Å; F200-V274 HydrophobicContact CB-CG2 4.28Å
201	L	95.9	Very high	97.5	Very high	99 Å²	99	42.7 Å²	42.7	52%	0.518	21%	0.209	S	C	.	.	H	α-helix	trans	-57.8	-26	177.9	-78.9	170.4	0	0	0	114	C196 R199 V274	C196-L201 VanDerWaalsContact O-CG 3.24Å; C196-L201 WeakPolarHBondContact O-CG 3.27Å; C196-L201 PolarHBondContact O-N 2.62Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.64Å; L201-V274 HydrophobicContact CB-CG1 4.44Å; L201-V274 HydrophobicContact CD2-CB 4.06Å; L201-V274 HydrophobicContact CD2-CG1 3.61Å; L201-V274 HydrophobicContact CG-CG1 3.72Å
202	S	97.3	Very high	97.5	Very high	103 Å²	103	41.6 Å²	41.6	72%	0.72	20%	0.204	S	C	*	.	H	α-helix	trans	-99.9	-10.9	179.1	53.3	0	0	0	0	114.3	R199 F200	R199-S202 PolarHBondContact O-N 3.38Å; R199-S202 PolarHBondContact O-OG 2.64Å; F200-S202 PolarHBondContact O-N 2.98Å; F200-S202 VanDerWaalsContact O-N 3.1Å
203	E	98.4	Very high	97.5	Very high	55 Å²	55	42 Å²	42	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-114.6	-31	-169	-69.6	-179	176.2	0	0	113.4	H148 Y150 R199 F200	H148-E203 IonicContact CE1-OE2 3.73Å; H148-E203 PolarHBondContact CE1-OE2 2.69Å; H148-E203 IonicContact ND1-OE2 2.81Å; Y150-E203 WeakPolarHBondContact CE1-OE2 3.37Å; Y150-E203 VanDerWaalsContact CZ-OE2 3.28Å; Y150-E203 VanDerWaalsContact OH-CB 3.26Å; Y150-E203 WeakPolarHBondContact OH-CB 3.41Å; Y150-E203 PolarHBondContact OH-OE2 2.9Å; R199-E203 IonicContact CZ-OE1 3.57Å; R199-E203 VanDerWaalsContact CZ-OE1 3.25Å; R199-E203 IonicContact CZ-OE2 3.62Å; R199-E203 IonicContact NE-OE1 2.76Å; R199-E203 PolarHBondContact NE-OE1 3.04Å; R199-E203 IonicContact NE-OE2 3.46Å; R199-E203 PolarHBondContact NE-OE2 3.25Å; R199-E203 IonicContact NH2-OE1 3.89Å; R199-E203 PolarHBondContact NH2-OE1 3.33Å; R199-E203 IonicContact NH2-OE2 2.69Å; R199-E203 WeakPolarHBondContact O-CG 3.45Å; R199-E203 PolarHBondContact O-N 3.35Å; F200-E203 PolarHBondContact O-N 3.47Å; F200-E203 VanDerWaalsContact O-N 3.08Å
204	V	98.8	Very high	97.5	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	21%	0.207	C	C	.	.			trans	-141.1	152.5	-171.5	-60.5	0	0	0	0	111.8	T115 H148 Y150 F200 L207 V274	T115-V204 HydrophobicContact CG2-CG1 3.95Å; H148-V204 HydrophobicContact CB-CG1 3.94Å; Y150-V204 HydrophobicContact CE2-CG1 4.12Å; F200-V204 HydrophobicContact CB-CG2 3.97Å; F200-V204 WeakPolarHBondContact O-CG2 3.33Å; F200-V204 PolarHBondContact O-N 2.72Å; V204-L207 HydrophobicContact CG2-CD2 3.93Å; V204-L207 HydrophobicContact CG2-CG 4.19Å; V204-V274 HydrophobicContact CG2-CG2 3.82Å; V204-V274 WeakPolarHBondContact O-CG2 3.47Å
205	D	98.7	Very high	97.6	Very high	80 Å²	80	41.1 Å²	41.1	43%	0.428	20%	0.2	S	C	.	.	S	Bend	trans	-87.5	-39.2	177.9	-56.1	-63.1	0	0	0	111.2	T114 T115 V274	T114-D205 WeakPolarHBondContact CA-OD2 3.45Å; T114-D205 HydrophobicContact CG2-CB 4.28Å; T115-D205 PolarHBondContact N-OD2 2.99Å; T115-D205 PolarHBondContact O-N 2.77Å; D205-V274 PolarHBondContact O-N 2.96Å
206	Y	98.9	Very high	97.6	Very high	40 Å²	40	39.9 Å²	39.9	16%	0.157	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.2	-178.9	-64.3	-90	0	0	0	111.1	F109 T114 T115 G117 L225 T226 G272	F109-Y206 HydrophobicContact CE1-CE2 4.09Å; T114-Y206 HydrophobicContact CG2-CD2 3.69Å; T114-Y206 HydrophobicContact CG2-CE2 3.9Å; T115-Y206 PolarHBondContact O-N 2.75Å; G117-Y206 PolarHBondContact N-O 2.84Å; Y206-L225 HydrophobicContact CD1-CB 4.3Å; Y206-L225 HydrophobicContact CD1-CD2 4.36Å; Y206-L225 HydrophobicContact CD2-CD1 4.14Å; Y206-L225 HydrophobicContact CD2-CD2 4.46Å; Y206-L225 HydrophobicContact CE1-CB 4.37Å; Y206-L225 HydrophobicContact CG-CB 4.4Å; Y206-L225 HydrophobicContact CG-CD1 4.46Å; Y206-L225 HydrophobicContact CG-CD2 3.97Å; Y206-T226 WeakPolarHBondContact CE1-O 3.2Å; Y206-G272 CarbonylContact C-O 3.11Å; Y206-G272 VanDerWaalsContact CA-O 3.26Å; Y206-G272 WeakPolarHBondContact CA-O 3.41Å; Y206-G272 WeakPolarHBondContact CB-O 3.47Å
207	L	98.9	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.8	170.3	-75.6	167.4	0	0	0	110.4	G117 T119 Y150 F200 V204 G271 G272 V274 V277	G117-L207 CarbonylContact O-C 3.46Å; G117-L207 WeakPolarHBondContact O-CA 3.38Å; T119-L207 HydrophobicContact CG2-CD2 3.92Å; Y150-L207 HydrophobicContact CE2-CD2 4.47Å; F200-L207 HydrophobicContact CB-CD1 3.9Å; F200-L207 HydrophobicContact CB-CD2 4.22Å; F200-L207 HydrophobicContact CB-CG 4.38Å; F200-L207 HydrophobicContact CD1-CD2 4.26Å; F200-L207 HydrophobicContact CD2-CD1 3.42Å; F200-L207 VanDerWaalsContact CD2-CD1 3.42Å; F200-L207 HydrophobicContact CD2-CD2 3.93Å; F200-L207 HydrophobicContact CD2-CG 4.31Å; F200-L207 HydrophobicContact CE2-CD1 4.15Å; F200-L207 HydrophobicContact CE2-CD2 4.3Å; F200-L207 HydrophobicContact CG-CD1 3.89Å; F200-L207 HydrophobicContact CG-CD2 3.9Å; F200-L207 HydrophobicContact CG-CG 4.43Å; V204-L207 HydrophobicContact CG2-CD2 3.93Å; V204-L207 HydrophobicContact CG2-CG 4.19Å; L207-G271 CarbonylContact O-C 3.57Å; L207-G271 WeakPolarHBondContact O-CA 3.48Å; L207-G272 PolarHBondContact N-O 3.29Å; L207-G272 PolarHBondContact O-N 3.17Å; L207-V274 HydrophobicContact CD1-CB 4.42Å; L207-V274 HydrophobicContact CD1-CG1 4.13Å; L207-V274 HydrophobicContact CD1-CG2 4.21Å; L207-V274 HydrophobicContact CG-CG2 4.15Å; L207-V277 HydrophobicContact CB-CB 4.31Å; L207-V277 HydrophobicContact CB-CG1 4.21Å; L207-V277 HydrophobicContact CB-CG2 4.03Å; L207-V277 HydrophobicContact CD1-CB 4.23Å; L207-V277 HydrophobicContact CD1-CG1 3.94Å
208	V	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.9	168.6	178.7	0	0	0	0	107.3	I116 G117 L118 T119 F141 V210 I224 F229 F269	I116-V208 HydrophobicContact CG2-CG2 3.97Å; G117-V208 PolarHBondContact O-N 3.25Å; L118-V208 WeakPolarHBondContact CA-O 3.5Å; L118-V208 HydrophobicContact CD1-CB 3.81Å; L118-V208 HydrophobicContact CD1-CG1 3.63Å; T119-V208 PolarHBondContact N-O 3.27Å; F141-V208 HydrophobicContact CE2-CB 4.34Å; F141-V208 HydrophobicContact CE2-CG1 4.18Å; F141-V208 HydrophobicContact CE2-CG2 4.25Å; F141-V208 HydrophobicContact CZ-CB 4.11Å; F141-V208 HydrophobicContact CZ-CG1 4.41Å; F141-V208 HydrophobicContact CZ-CG2 4.03Å; V208-V210 HydrophobicContact CG1-CG1 3.88Å; V208-I224 HydrophobicContact CG2-CD1 4Å; V208-F229 HydrophobicContact CG1-CZ 4.35Å; V208-F229 HydrophobicContact CG2-CE1 4.44Å; V208-F229 HydrophobicContact CG2-CZ 4.19Å; V208-F269 HydrophobicContact CG1-CD1 4.15Å; V208-F269 HydrophobicContact CG1-CE1 3.47Å; V208-F269 VanDerWaalsContact CG1-CE1 3.47Å; V208-F269 HydrophobicContact CG1-CZ 4.09Å
209	C	98.9	Very high	98.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.6	-175.3	-58.2	0	0	0	0	109.4	T119 I192 F269 F270	T119-C209 WeakPolarHBondContact OG1-CA 3.32Å; T119-C209 WeakPolarHBondContact OG1-CB 3.26Å; T119-C209 PolarHBondContact OG1-SG 3.29Å; I192-C209 HydrophobicContact CD1-CB 4.19Å; C209-F269 WeakPolarHBondContact O-CA 3.39Å; C209-F270 HydrophobicContact CB-CD1 4.3Å; C209-F270 HydrophobicContact CB-CD2 4.03Å; C209-F270 HydrophobicContact CB-CE1 3.88Å; C209-F270 HydrophobicContact CB-CE2 3.58Å; C209-F270 HydrophobicContact CB-CG 4.37Å; C209-F270 HydrophobicContact CB-CZ 3.5Å; C209-F270 PolarHBondContact N-O 3.36Å; C209-F270 PolarHBondContact O-N 3.24Å; C209-F270 VanDerWaalsContact O-N 3.12Å
210	V	98.9	Very high	98.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.9	-172.8	-60.9	0	0	0	0	113.6	L118 T119 F133 V208 A268 F269 F341	L118-V210 HydrophobicContact CD1-CG1 4.37Å; L118-V210 HydrophobicContact CD1-CG2 3.71Å; L118-V210 HydrophobicContact CG-CG2 4.4Å; T119-V210 PolarHBondContact O-N 3.07Å; F133-V210 HydrophobicContact CE2-CG2 3.63Å; F133-V210 HydrophobicContact CZ-CG2 3.49Å; F133-V210 VanDerWaalsContact CZ-CG2 3.49Å; V208-V210 HydrophobicContact CG1-CG1 3.88Å; V210-A268 WeakPolarHBondContact CA-O 3.48Å; V210-F269 HydrophobicContact CG1-CB 4.24Å; V210-F269 HydrophobicContact CG1-CD1 3.67Å; V210-F269 HydrophobicContact CG1-CD2 3.99Å; V210-F269 HydrophobicContact CG1-CE1 4.01Å; V210-F269 HydrophobicContact CG1-CE2 4.29Å; V210-F269 HydrophobicContact CG1-CG 3.7Å; V210-F269 HydrophobicContact CG1-CZ 4.31Å; V210-F341 HydrophobicContact CB-CE1 4.15Å; V210-F341 HydrophobicContact CB-CZ 4.02Å; V210-F341 HydrophobicContact CG1-CE1 4.29Å; V210-F341 HydrophobicContact CG1-CZ 4.45Å; V210-F341 HydrophobicContact CG2-CZ 4.23Å
211	D	98.4	Very high	98.5	Very high	45 Å²	45	33 Å²	33	24%	0.241	17%	0.169	C	C	.	.			trans	-74.7	147.2	170	-81	-0.1	0	0	0	112.1	R188 D213 M214 A268	R188-D211 IonicContact CZ-OD1 3.3Å; R188-D211 VanDerWaalsContact CZ-OD1 3.32Å; R188-D211 IonicContact NH1-OD1 3.5Å; R188-D211 PolarHBondContact NH1-OD1 3.13Å; R188-D211 IonicContact NH2-OD1 2.9Å; D211-D213 WeakPolarHBondContact CB-OD1 3.02Å; D211-M214 HydrophobicContact CB-CG 4.19Å; D211-M214 WeakPolarHBondContact O-CG 3.48Å; D211-A268 HydrophobicContact CB-CB 3.87Å; D211-A268 PolarHBondContact N-O 2.74Å; D211-A268 VanDerWaalsContact N-O 3.08Å; D211-A268 WeakPolarHBondContact OD2-CB 3.39Å
212	V	98.6	Very high	98.7	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-83.7	-25.8	-174.2	72.5	0	0	0	0	113.6	V120 F121 A122 Y126 F129 L130 F133 M214	V120-V212 HydrophobicContact CG2-CB 3.35Å; V120-V212 HydrophobicContact CG2-CG2 3.52Å; F121-V212 WeakPolarHBondContact O-CB 3.33Å; F121-V212 WeakPolarHBondContact O-CG1 3.45Å; A122-V212 HydrophobicContact CB-CG2 4.31Å; Y126-V212 HydrophobicContact CD1-CG1 3.77Å; Y126-V212 HydrophobicContact CG-CG1 4.36Å; F129-V212 HydrophobicContact CB-CG1 4.25Å; F129-V212 HydrophobicContact CB-CG2 4.04Å; F129-V212 WeakPolarHBondContact CB-O 3.31Å; F129-V212 HydrophobicContact CD2-CG1 4.24Å; L130-V212 HydrophobicContact CD2-CG2 3.76Å; L130-V212 HydrophobicContact CG-CG2 4.16Å; F133-V212 HydrophobicContact CB-CG2 4.39Å; F133-V212 HydrophobicContact CG-CG2 4.39Å; V212-M214 PolarHBondContact O-N 3.12Å
213	D	98	Very high	98.7	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.059	11%	0.111	C	C	.	.	S	Bend	trans	-82	45.8	-175.5	55.3	-23.6	0	0	0	112.2	Y126 F129 D211 V344 K346	Y126-D213 HydrophobicContact CD1-CB 4.29Å; Y126-D213 HydrophobicContact CE1-CB 4.14Å; F129-D213 HydrophobicContact CD1-CB 4.14Å; F129-D213 HydrophobicContact CD2-CB 3.8Å; F129-D213 HydrophobicContact CE1-CB 4.13Å; F129-D213 HydrophobicContact CE2-CB 3.8Å; F129-D213 HydrophobicContact CG-CB 3.98Å; F129-D213 HydrophobicContact CZ-CB 3.98Å; D211-D213 WeakPolarHBondContact CB-OD1 3.02Å; D213-V344 PolarHBondContact O-N 2.62Å; D213-K346 HydrophobicContact CB-CD 4.03Å; D213-K346 WeakPolarHBondContact OD2-CD 3.35Å; D213-K346 WeakPolarHBondContact OD2-CE 3.4Å; D213-K346 IonicContact OD2-NZ 3.85Å; D213-K346 PolarHBondContact OD2-NZ 3.05Å
214	M	98.6	Very high	98.8	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.044	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160.6	-170.7	-56.5	-68.6	-69.6	0	0	109.4	D211 V212 L324 F341 T342 A343	D211-M214 HydrophobicContact CB-CG 4.19Å; D211-M214 WeakPolarHBondContact O-CG 3.48Å; V212-M214 PolarHBondContact O-N 3.12Å; M214-L324 HydrophobicContact CE-CD1 3.94Å; M214-L324 HydrophobicContact CE-CG 3.77Å; M214-F341 HydrophobicContact CB-CD1 4.36Å; M214-F341 HydrophobicContact CB-CD2 4.05Å; M214-F341 HydrophobicContact CB-CE1 3.67Å; M214-F341 HydrophobicContact CB-CE2 3.29Å; M214-F341 HydrophobicContact CB-CZ 3.08Å; M214-F341 HydrophobicContact CE-CD1 3.56Å; M214-F341 HydrophobicContact CE-CE1 3.59Å; M214-F341 HydrophobicContact CE-CG 4.23Å; M214-F341 HydrophobicContact CE-CZ 4.27Å; M214-F341 HydrophobicContact CG-CD1 4.48Å; M214-F341 HydrophobicContact CG-CE1 3.64Å; M214-F341 HydrophobicContact CG-CE2 4.2Å; M214-F341 HydrophobicContact CG-CZ 3.49Å; M214-F341 VanDerWaalsContact CG-CZ 3.49Å; M214-F341 HydrophobicContact SD-CE1 4.46Å; M214-T342 CarbonylContact C-O 3.55Å; M214-T342 VanDerWaalsContact CA-O 3.28Å; M214-T342 WeakPolarHBondContact CA-O 3.14Å; M214-A343 WeakPolarHBondContact SD-CA 3.44Å; M214-A343 HydrophobicContact SD-CB 3.98Å
215	E	98.8	Very high	98.8	Very high	31 Å²	31	20.6 Å²	20.6	15%	0.145	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.1	172.8	65.8	175.9	157.1	0	0	111	L132 T136 R217 F341 T342 V344	L132-E215 HydrophobicContact CD2-CB 4.04Å; L132-E215 HydrophobicContact CG-CB 3.98Å; T136-E215 HydrophobicContact CG2-CB 4.31Å; E215-R217 HydrophobicContact CG-CG 4.14Å; E215-R217 IonicContact OE1-CZ 2.62Å; E215-R217 IonicContact OE1-NE 3.64Å; E215-R217 PolarHBondContact OE1-NE 3.44Å; E215-R217 IonicContact OE1-NH2 3.88Å; E215-R217 PolarHBondContact OE1-NH2 2.82Å; E215-F341 CarbonylContact O-C 3.6Å; E215-F341 WeakPolarHBondContact O-CA 3.45Å; E215-F341 WeakPolarHBondContact O-CD2 3.37Å; E215-T342 WeakPolarHBondContact CG-OG1 3.28Å; E215-T342 PolarHBondContact N-O 2.78Å; E215-T342 PolarHBondContact O-N 3.03Å; E215-V344 HydrophobicContact CB-CG2 4.11Å; E215-V344 HydrophobicContact CG-CG2 4.22Å
216	F	98.9	Very high	98.8	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.013	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.6	171.8	-60.6	-97.1	0	0	0	110.1	L118 F133 T136 A137 H140 F141 V220 R340 F341	L118-F216 HydrophobicContact CD2-CZ 4.38Å; F133-F216 HydrophobicContact CD2-CE2 4.22Å; F133-F216 AromaticContact CE2-CE2 3.81Å; F133-F216 HydrophobicContact CE2-CE2 3.81Å; F133-F216 HydrophobicContact CE2-CZ 4.36Å; F133-F216 HydrophobicContact CZ-CE2 4Å; F133-F216 HydrophobicContact CZ-CZ 4.44Å; T136-F216 VanDerWaalsContact CB-O 3.23Å; T136-F216 WeakPolarHBondContact CB-O 3.43Å; T136-F216 WeakPolarHBondContact CG2-O 3.35Å; T136-F216 PolarHBondContact OG1-N 2.8Å; A137-F216 HydrophobicContact CB-CD2 3.77Å; A137-F216 HydrophobicContact CB-CE2 3.66Å; A137-F216 HydrophobicContact CB-CZ 4.47Å; H140-F216 HydrophobicContact CB-CB 3.72Å; H140-F216 HydrophobicContact CB-CG 4.48Å; H140-F216 PolarHBondContact CD2-O 2.84Å; H140-F216 VanDerWaalsContact CD2-O 3.31Å; F141-F216 HydrophobicContact CB-CD1 4.45Å; F141-F216 HydrophobicContact CB-CE1 4.19Å; F141-F216 HydrophobicContact CB-CZ 4.37Å; F141-F216 AromaticContact CD2-CE1 3.95Å; F141-F216 HydrophobicContact CD2-CE1 3.95Å; F141-F216 HydrophobicContact CD2-CZ 4.21Å; F141-F216 HydrophobicContact CG-CE1 4.43Å; F141-F216 HydrophobicContact CG-CZ 4.48Å; F216-V220 HydrophobicContact CD1-CB 4.24Å; F216-V220 HydrophobicContact CD1-CG2 3.86Å; F216-V220 HydrophobicContact CE1-CB 4.26Å; F216-V220 HydrophobicContact CE1-CG1 4.44Å; F216-V220 HydrophobicContact CE1-CG2 4.13Å; F216-R340 CarbonylContact C-O 3.4Å; F216-R340 WeakPolarHBondContact CA-O 3.28Å; F216-F341 HydrophobicContact CD1-CB 4.32Å; F216-F341 AromaticContact CD1-CD2 3.65Å; F216-F341 HydrophobicContact CD1-CD2 3.65Å; F216-F341 HydrophobicContact CD1-CE2 4.32Å; F216-F341 HydrophobicContact CD1-CG 4.33Å; F216-F341 AromaticContact CD2-CD2 3.88Å; F216-F341 HydrophobicContact CD2-CD2 3.88Å; F216-F341 AromaticContact CD2-CE2 3.92Å; F216-F341 HydrophobicContact CD2-CE2 3.92Å; F216-F341 AromaticContact CE1-CD2 3.63Å; F216-F341 HydrophobicContact CE1-CD2 3.63Å; F216-F341 AromaticContact CE1-CE2 3.99Å; F216-F341 HydrophobicContact CE1-CE2 3.99Å; F216-F341 HydrophobicContact CE1-CG 4.24Å; F216-F341 AromaticContact CE2-CD2 3.86Å; F216-F341 HydrophobicContact CE2-CD2 3.86Å; F216-F341 AromaticContact CE2-CE2 3.55Å; F216-F341 HydrophobicContact CE2-CE2 3.55Å; F216-F341 AromaticContact CG-CD2 3.77Å; F216-F341 HydrophobicContact CG-CD2 3.77Å; F216-F341 HydrophobicContact CG-CE2 4.29Å; F216-F341 AromaticContact CZ-CD2 3.74Å; F216-F341 HydrophobicContact CZ-CD2 3.74Å; F216-F341 AromaticContact CZ-CE2 3.59Å; F216-F341 HydrophobicContact CZ-CE2 3.59Å; F216-F341 HydrophobicContact CZ-CZ 4.36Å
217	R	98.8	Very high	98.8	Very high	102 Å²	102	18.6 Å²	18.6	39%	0.385	9%	0.093	S	C	.	.			trans	-122.9	-18	-178.8	-67.4	-171.3	174.9	-179.3	5.4	113.9	E215 L339 R340 T342	E215-R217 HydrophobicContact CG-CG 4.14Å; E215-R217 IonicContact OE1-CZ 2.62Å; E215-R217 IonicContact OE1-NE 3.64Å; E215-R217 PolarHBondContact OE1-NE 3.44Å; E215-R217 IonicContact OE1-NH2 3.88Å; E215-R217 PolarHBondContact OE1-NH2 2.82Å; R217-L339 WeakPolarHBondContact CB-O 3.5Å; R217-R340 PolarHBondContact N-O 2.88Å; R217-T342 VanDerWaalsContact CD-OG1 3.31Å; R217-T342 WeakPolarHBondContact CD-OG1 3.5Å; R217-T342 PolarHBondContact NE-OG1 2.98Å; R217-T342 VanDerWaalsContact NE-OG1 3.09Å
218	D	98.9	Very high	98.8	Very high	45 Å²	45	18.8 Å²	18.8	24%	0.241	9%	0.094	C	C	.	.	S	Bend	trans	-151.2	172.7	178.1	-153.1	-39	0	0	0	109.1	H140 V220 K338 R340	H140-D218 WeakPolarHBondContact CB-O 3.38Å; D218-V220 PolarHBondContact O-N 3.2Å; D218-K338 IonicContact OD1-NZ 3.94Å; D218-K338 PolarHBondContact OD1-NZ 3.49Å; D218-K338 WeakPolarHBondContact OD2-CD 3.21Å; D218-K338 WeakPolarHBondContact OD2-CG 3.39Å; D218-K338 IonicContact OD2-NZ 3.32Å; D218-K338 PolarHBondContact OD2-NZ 2.73Å; D218-R340 HydrophobicContact CB-CB 4.41Å; D218-R340 HydrophobicContact CB-CG 4.26Å; D218-R340 PolarHBondContact N-O 2.85Å
219	H	98.9	Very high	98.8	Very high	53 Å²	53	18.8 Å²	18.8	25%	0.245	9%	0.094	C	C	.	.			trans	-49.9	125.2	-176.4	176.4	83.1	0	0	0	113.4	I102 G221 E223 R340	I102-H219 WeakPolarHBondContact CD1-NE2 3.36Å; H219-G221 WeakPolarHBondContact NE2-CA 3.44Å; H219-G221 PolarHBondContact NE2-N 3.46Å; H219-E223 IonicContact CD2-OE1 3.67Å; H219-E223 PolarHBondContact CD2-OE1 3.05Å; H219-E223 IonicContact CD2-OE2 3.54Å; H219-E223 IonicContact CE1-OE2 2.73Å; H219-E223 IonicContact NE2-OE1 3.5Å; H219-E223 IonicContact NE2-OE2 3.49Å; H219-E223 PolarHBondContact NE2-OE2 3.09Å; H219-R340 WeakPolarHBondContact O-CD 3.48Å; H219-R340 PolarHBondContact O-NH1 3.4Å
220	V	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-127.8	101.8	165.5	178.6	0	0	0	0	107.2	H140 F141 M142 F216 D218 I224 F269 Y323 R340	H140-V220 PolarHBondContact O-N 2.93Å; H140-V220 VanDerWaalsContact O-O 3.14Å; F141-V220 CarbonylContact C-O 3.53Å; F141-V220 WeakPolarHBondContact CA-O 3.38Å; F141-V220 HydrophobicContact CD2-CB 4.36Å; F141-V220 HydrophobicContact CD2-CG1 3.98Å; F141-V220 HydrophobicContact CE2-CG1 4.32Å; M142-V220 PolarHBondContact N-O 3.34Å; F216-V220 HydrophobicContact CD1-CB 4.24Å; F216-V220 HydrophobicContact CD1-CG2 3.86Å; F216-V220 HydrophobicContact CE1-CB 4.26Å; F216-V220 HydrophobicContact CE1-CG1 4.44Å; F216-V220 HydrophobicContact CE1-CG2 4.13Å; D218-V220 PolarHBondContact O-N 3.2Å; V220-I224 HydrophobicContact CG1-CD1 3.9Å; V220-I224 HydrophobicContact CG1-CG2 4.48Å; V220-F269 HydrophobicContact CG1-CZ 4.09Å; V220-Y323 HydrophobicContact CG1-CD1 4.17Å; V220-Y323 HydrophobicContact CG1-CE1 4.26Å; V220-Y323 HydrophobicContact CG2-CD1 4.16Å; V220-Y323 HydrophobicContact CG2-CE1 4.37Å; V220-R340 HydrophobicContact CG2-CB 3.67Å
221	G	98.9	Very high	98.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	9%	0.093	C	C	.	.			trans	-128.6	-157.9	-171.1	0	0	0	0	0	114	M142 H219 E223 I224	M142-G221 WeakPolarHBondContact CE-O 3.32Å; H219-G221 WeakPolarHBondContact NE2-CA 3.44Å; H219-G221 PolarHBondContact NE2-N 3.46Å; G221-E223 WeakPolarHBondContact CA-OE2 3.36Å; G221-E223 PolarHBondContact N-OE1 2.82Å; G221-E223 PolarHBondContact N-OE2 3.12Å; G221-E223 VanDerWaalsContact N-OE2 3.17Å; G221-E223 PolarHBondContact O-N 2.89Å; G221-I224 WeakPolarHBondContact O-CG1 3.26Å; G221-I224 PolarHBondContact O-N 2.77Å
222	V	98.8	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-65.1	-10.8	-173.4	-64.5	0	0	0	0	113.9	I102 L105 N106 F109 M142 H145 I224 L225	I102-V222 HydrophobicContact CD1-CG2 4.21Å; L105-V222 HydrophobicContact CB-CG2 3.84Å; N106-V222 WeakPolarHBondContact OD1-CG2 3.37Å; F109-V222 HydrophobicContact CB-CB 4.18Å; F109-V222 HydrophobicContact CB-CG1 3.95Å; F109-V222 HydrophobicContact CB-CG2 4.47Å; F109-V222 HydrophobicContact CD2-CB 3.63Å; F109-V222 HydrophobicContact CD2-CG1 4.33Å; F109-V222 HydrophobicContact CD2-CG2 3.87Å; F109-V222 HydrophobicContact CE2-CB 4.17Å; F109-V222 HydrophobicContact CG-CB 3.94Å; F109-V222 HydrophobicContact CG-CG1 4.14Å; F109-V222 HydrophobicContact CG-CG2 4.44Å; M142-V222 HydrophobicContact SD-CG1 3.98Å; H145-V222 VanDerWaalsContact CE1-CG1 3.43Å; H145-V222 WeakPolarHBondContact CE1-CG1 3.29Å; H145-V222 WeakPolarHBondContact NE2-CG1 3.5Å; V222-I224 PolarHBondContact O-N 2.81Å; V222-L225 HydrophobicContact CB-CD1 4.01Å; V222-L225 HydrophobicContact CB-CG 4.43Å; V222-L225 HydrophobicContact CG1-CD1 3.78Å; V222-L225 PolarHBondContact O-N 2.74Å; V222-L225 VanDerWaalsContact O-N 3.08Å
223	E	98.9	Very high	98.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-59.4	-24.8	172.5	74.8	-76.6	176	0	0	113.4	V95 F100 I102 L105 H219 G221 K317 Y323	V95-E223 HydrophobicContact CG1-CB 4.35Å; V95-E223 HydrophobicContact CG1-CG 3.78Å; F100-E223 HydrophobicContact CD1-CB 4.12Å; F100-E223 HydrophobicContact CD1-CG 4.16Å; F100-E223 HydrophobicContact CD2-CB 3.88Å; F100-E223 HydrophobicContact CD2-CG 4.26Å; F100-E223 HydrophobicContact CE1-CB 4.32Å; F100-E223 HydrophobicContact CE1-CG 3.86Å; F100-E223 HydrophobicContact CE2-CB 4.07Å; F100-E223 HydrophobicContact CE2-CG 3.96Å; F100-E223 HydrophobicContact CG-CB 3.92Å; F100-E223 HydrophobicContact CG-CG 4.36Å; F100-E223 HydrophobicContact CZ-CB 4.29Å; F100-E223 HydrophobicContact CZ-CG 3.76Å; I102-E223 WeakPolarHBondContact CD1-OE2 3.48Å; L105-E223 HydrophobicContact CD1-CB 3.6Å; H219-E223 IonicContact CD2-OE1 3.67Å; H219-E223 PolarHBondContact CD2-OE1 3.05Å; H219-E223 IonicContact CD2-OE2 3.54Å; H219-E223 IonicContact CE1-OE2 2.73Å; H219-E223 IonicContact NE2-OE1 3.5Å; H219-E223 IonicContact NE2-OE2 3.49Å; H219-E223 PolarHBondContact NE2-OE2 3.09Å; G221-E223 WeakPolarHBondContact CA-OE2 3.36Å; G221-E223 PolarHBondContact N-OE1 2.82Å; G221-E223 PolarHBondContact N-OE2 3.12Å; G221-E223 VanDerWaalsContact N-OE2 3.17Å; G221-E223 PolarHBondContact O-N 2.89Å; E223-K317 WeakPolarHBondContact O-CD 3.46Å; E223-K317 PolarHBondContact O-NZ 3.44Å; E223-Y323 WeakPolarHBondContact CG-OH 3.46Å; E223-Y323 WeakPolarHBondContact OE1-CE1 3.31Å; E223-Y323 PolarHBondContact OE1-OH 3.22Å
224	I	98.9	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-81.5	-20.9	177.7	80.6	-177.4	0	0	0	112.8	M142 V208 V220 G221 V222 T226 F229 F269 L319 Y323	M142-I224 HydrophobicContact CE-CD1 3.54Å; M142-I224 HydrophobicContact CE-CG1 3.65Å; V208-I224 HydrophobicContact CG2-CD1 4Å; V220-I224 HydrophobicContact CG1-CD1 3.9Å; V220-I224 HydrophobicContact CG1-CG2 4.48Å; G221-I224 WeakPolarHBondContact O-CG1 3.26Å; G221-I224 PolarHBondContact O-N 2.77Å; V222-I224 PolarHBondContact O-N 2.81Å; I224-T226 PolarHBondContact O-N 2.87Å; I224-F229 HydrophobicContact CD1-CZ 4.28Å; I224-F229 HydrophobicContact CG1-CE1 4.45Å; I224-F229 WeakPolarHBondContact O-CD1 3.48Å; I224-F269 HydrophobicContact CD1-CE1 4.1Å; I224-F269 HydrophobicContact CD1-CZ 3.98Å; I224-L319 HydrophobicContact CB-CD1 3.94Å; I224-L319 HydrophobicContact CB-CD2 3.77Å; I224-L319 HydrophobicContact CG2-CD1 3.86Å; I224-L319 HydrophobicContact CG2-CD2 3.78Å; I224-Y323 HydrophobicContact CG2-CD1 3.83Å; I224-Y323 HydrophobicContact CG2-CE1 3.35Å
225	L	98.9	Very high	98.8	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.109	C	C	.	.			trans	-71.8	130.9	-171.3	-59.5	-178.4	0	0	0	111.5	F109 T114 I116 M142 Y206 V222 K317	F109-L225 HydrophobicContact CD1-CD1 3.97Å; F109-L225 HydrophobicContact CE1-CB 3.8Å; F109-L225 HydrophobicContact CE1-CD1 3.98Å; F109-L225 HydrophobicContact CZ-CB 3.8Å; T114-L225 HydrophobicContact CG2-CD1 4.09Å; I116-L225 HydrophobicContact CD1-CD1 4.21Å; I116-L225 HydrophobicContact CG1-CD1 3.77Å; I116-L225 HydrophobicContact CG1-CD2 4.16Å; I116-L225 HydrophobicContact CG2-CD2 4.34Å; M142-L225 HydrophobicContact CE-CD1 4.48Å; M142-L225 HydrophobicContact CE-CD2 3.71Å; M142-L225 HydrophobicContact CE-CG 4.03Å; M142-L225 HydrophobicContact SD-CD1 4.46Å; Y206-L225 HydrophobicContact CD1-CB 4.3Å; Y206-L225 HydrophobicContact CD1-CD2 4.36Å; Y206-L225 HydrophobicContact CD2-CD1 4.14Å; Y206-L225 HydrophobicContact CD2-CD2 4.46Å; Y206-L225 HydrophobicContact CE1-CB 4.37Å; Y206-L225 HydrophobicContact CG-CB 4.4Å; Y206-L225 HydrophobicContact CG-CD1 4.46Å; Y206-L225 HydrophobicContact CG-CD2 3.97Å; V222-L225 HydrophobicContact CB-CD1 4.01Å; V222-L225 HydrophobicContact CB-CG 4.43Å; V222-L225 HydrophobicContact CG1-CD1 3.78Å; V222-L225 PolarHBondContact O-N 2.74Å; V222-L225 VanDerWaalsContact O-N 3.08Å; L225-K317 WeakPolarHBondContact O-CE 3.47Å; L225-K317 PolarHBondContact O-NZ 3.02Å
226	T	98.9	Very high	98.8	Very high	15 Å²	15	21.1 Å²	21.1	9%	0.092	11%	0.11	C	C	.	.	S	Bend	trans	-170.6	167.3	-176.1	-164	0	0	0	0	108.2	Y206 I224 L228 F229 G272 S273 T316 K317	Y206-T226 WeakPolarHBondContact CE1-O 3.2Å; I224-T226 PolarHBondContact O-N 2.87Å; T226-L228 VanDerWaalsContact C-N 3.31Å; T226-L228 VanDerWaalsContact CG2-O 3.25Å; T226-L228 WeakPolarHBondContact CG2-O 3.4Å; T226-L228 PolarHBondContact O-N 2.56Å; T226-F229 HydrophobicContact CG2-CB 3.75Å; T226-F229 HydrophobicContact CG2-CD1 4.14Å; T226-F229 HydrophobicContact CG2-CG 4.44Å; T226-G272 CarbonylContact O-C 3.56Å; T226-G272 VanDerWaalsContact O-CA 3.31Å; T226-G272 WeakPolarHBondContact O-CA 3.49Å; T226-S273 PolarHBondContact O-N 3.37Å; T226-T316 WeakPolarHBondContact CB-OG1 3.35Å; T226-T316 VanDerWaalsContact CG2-OG1 3.26Å; T226-T316 WeakPolarHBondContact CG2-OG1 3.42Å; T226-T316 WeakPolarHBondContact OG1-CB 3.31Å; T226-T316 PolarHBondContact OG1-OG1 3.04Å; T226-K317 HydrophobicContact CG2-CB 3.7Å; T226-K317 HydrophobicContact CG2-CD 3.99Å; T226-K317 HydrophobicContact CG2-CG 3.79Å
227	P	98.8	Very high	98.7	Very high	63 Å²	63	25.2 Å²	25.2	41%	0.409	13%	0.126	S	C	.	.	S	Bend	trans	-53.4	-44.4	177.3	-31.7	38	0	0	0	113.9	G272 S273 E276 T316	P227-G272 CarbonylContact O-C 3.59Å; P227-G272 WeakPolarHBondContact O-CA 3.33Å; P227-S273 PolarHBondContact O-N 2.91Å; P227-E276 HydrophobicContact CB-CG 4.14Å; P227-E276 WeakPolarHBondContact O-CB 3.31Å; P227-E276 VanDerWaalsContact O-CG 3.29Å; P227-E276 WeakPolarHBondContact O-CG 3.39Å; P227-T316 HydrophobicContact CB-CG2 4.29Å; P227-T316 WeakPolarHBondContact CD-OG1 3.36Å; P227-T316 HydrophobicContact CG-CG2 4.47Å
228	L	98.9	Very high	98.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.5	176.7	179.3	63.8	0	0	0	110.9	T226 E276 L280 Y309 L310 P315 T316 K317	T226-L228 VanDerWaalsContact C-N 3.31Å; T226-L228 VanDerWaalsContact CG2-O 3.25Å; T226-L228 WeakPolarHBondContact CG2-O 3.4Å; T226-L228 PolarHBondContact O-N 2.56Å; L228-E276 HydrophobicContact CB-CB 4.28Å; L228-E276 HydrophobicContact CB-CG 4.47Å; L228-L280 HydrophobicContact CD1-CD1 3.71Å; L228-Y309 HydrophobicContact CD2-CE1 4.08Å; L228-L310 HydrophobicContact CD1-CD2 4.3Å; L228-L310 HydrophobicContact CD2-CD2 3.86Å; L228-L310 HydrophobicContact CG-CD2 4.13Å; L228-P315 HydrophobicContact CG-CB 4.31Å; L228-P315 CarbonylContact O-C 3.55Å; L228-T316 PolarHBondContact N-OG1 3.35Å; L228-T316 PolarHBondContact O-N 3.46Å; L228-T316 PolarHBondContact O-OG1 3.19Å; L228-K317 PolarHBondContact O-N 3.17Å
229	F	98.9	Very high	98.6	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.1	170.9	71.3	-95.3	0	0	0	113.1	V208 I224 T226 F269 F270 G271 K317 L319	V208-F229 HydrophobicContact CG1-CZ 4.35Å; V208-F229 HydrophobicContact CG2-CE1 4.44Å; V208-F229 HydrophobicContact CG2-CZ 4.19Å; I224-F229 HydrophobicContact CD1-CZ 4.28Å; I224-F229 HydrophobicContact CG1-CE1 4.45Å; I224-F229 WeakPolarHBondContact O-CD1 3.48Å; T226-F229 HydrophobicContact CG2-CB 3.75Å; T226-F229 HydrophobicContact CG2-CD1 4.14Å; T226-F229 HydrophobicContact CG2-CG 4.44Å; F229-F269 AromaticContact CE2-CD1 3.67Å; F229-F269 HydrophobicContact CE2-CD1 3.67Å; F229-F269 AromaticContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CZ-CD1 4.22Å; F229-F269 AromaticContact CZ-CE1 3.82Å; F229-F269 HydrophobicContact CZ-CE1 3.82Å; F229-F270 VanDerWaalsContact CZ-C 3.49Å; F229-G271 VanDerWaalsContact CD1-C 3.41Å; F229-G271 WeakPolarHBondContact CD1-O 3.28Å; F229-G271 VanDerWaalsContact CZ-CA 3.4Å; F229-G271 VanDerWaalsContact CZ-N 3.33Å; F229-G271 PolarHBondContact N-O 2.76Å; F229-G271 PolarHBondContact O-N 3.19Å; F229-K317 VanDerWaalsContact CA-O 3.22Å; F229-K317 WeakPolarHBondContact CA-O 3.42Å; F229-K317 HydrophobicContact CB-CB 4.29Å; F229-K317 VanDerWaalsContact CB-O 3.29Å; F229-K317 WeakPolarHBondContact CB-O 3.42Å; F229-L319 HydrophobicContact CD2-CD1 3.65Å; F229-L319 HydrophobicContact CD2-CG 3.83Å; F229-L319 HydrophobicContact CE2-CD1 3.64Å; F229-L319 HydrophobicContact CE2-CG 4.34Å; F229-L319 HydrophobicContact CG-CG 4.48Å
230	G	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.4	166	0	0	0	0	0	110.2	V318 L319	G230-V318 CarbonylContact O-C 3.49Å; G230-V318 WeakPolarHBondContact O-CA 3.44Å; G230-L319 PolarHBondContact O-N 2.88Å
231	T	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	-177.4	-53.5	0	0	0	0	110.4	H233 Y265 V266 F269 L319 L324	T231-H233 PolarHBondContact O-N 3.16Å; T231-Y265 CarbonylContact O-C 3.28Å; T231-Y265 WeakPolarHBondContact O-CA 3.42Å; T231-V266 HydrophobicContact CG2-CG1 4.12Å; T231-V266 PolarHBondContact O-N 2.9Å; T231-F269 VanDerWaalsContact CB-O 3.26Å; T231-F269 WeakPolarHBondContact CB-O 3.49Å; T231-F269 HydrophobicContact CG2-CB 4.48Å; T231-F269 PolarHBondContact N-O 2.73Å; T231-F269 PolarHBondContact OG1-O 3.13Å; T231-L319 HydrophobicContact CG2-CB 3.94Å; T231-L324 HydrophobicContact CG2-CB 3.94Å
232	L	98.9	Very high	98.5	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128	176	-64.3	-178.1	0	0	0	110.2	I94 F263 Y265 V318 L319 P321	I94-L232 HydrophobicContact CG2-CD1 4.31Å; L232-F263 HydrophobicContact CD2-CB 3.46Å; L232-F263 VanDerWaalsContact CD2-CB 3.46Å; L232-F263 HydrophobicContact CD2-CD1 3.48Å; L232-F263 VanDerWaalsContact CD2-CD1 3.48Å; L232-F263 HydrophobicContact CD2-CD2 4.32Å; L232-F263 HydrophobicContact CD2-CE1 4.28Å; L232-F263 HydrophobicContact CD2-CG 3.49Å; L232-F263 VanDerWaalsContact CD2-CG 3.49Å; L232-Y265 HydrophobicContact CD2-CE1 4.49Å; L232-V318 HydrophobicContact CD1-CG1 4.35Å; L232-V318 HydrophobicContact CD2-CG1 3.65Å; L232-V318 HydrophobicContact CG-CG1 3.67Å; L232-L319 WeakPolarHBondContact CG-O 3.11Å; L232-L319 PolarHBondContact N-O 2.89Å; L232-P321 HydrophobicContact CB-CG 4.1Å
233	H	98.8	Very high	98.5	Very high	33 Å²	33	36.9 Å²	36.9	15%	0.153	22%	0.218	C	C	.	.			trans	-67.4	133.2	177	-171.4	-67.6	0	0	0	110.7	T231 S235 F236 Y237 Y264 V266 E303	T231-H233 PolarHBondContact O-N 3.16Å; H233-S235 VanDerWaalsContact C-N 3.3Å; H233-S235 PolarHBondContact CE1-OG 3.46Å; H233-S235 PolarHBondContact ND1-N 2.6Å; H233-S235 VanDerWaalsContact ND1-N 3.12Å; H233-S235 PolarHBondContact O-N 2.88Å; H233-F236 HydrophobicContact CB-CD2 4.24Å; H233-F236 AromaticContact CG-CD2 3.86Å; H233-F236 AromaticContact ND1-CD2 3.51Å; H233-F236 PolarHBondContact O-N 3.02Å; H233-F236 VanDerWaalsContact O-N 3.07Å; H233-Y237 PolarHBondContact O-N 3.41Å; H233-Y264 HydrophobicContact CB-CD1 3.57Å; H233-Y264 HydrophobicContact CB-CE1 4.23Å; H233-Y264 WeakPolarHBondContact CB-O 3.44Å; H233-Y264 AromaticContact CD2-CE1 3.81Å; H233-Y264 AromaticContact CG-CD1 3.83Å; H233-Y264 PolarHBondContact N-O 2.81Å; H233-V266 HydrophobicContact CB-CB 4.07Å; H233-E303 IonicContact CD2-OE2 3.52Å
234	P	98.4	Very high	98.5	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.5	-169.9	29.3	-40.3	0	0	0	114.1	Y237 P321 L324 W325 L330	P234-Y237 WeakPolarHBondContact O-CD1 3.41Å; P234-Y237 WeakPolarHBondContact O-CE1 3.41Å; P234-P321 HydrophobicContact CB-CB 4.4Å; P234-L324 WeakPolarHBondContact CB-O 3.46Å; P234-L324 HydrophobicContact CG-CD2 3.81Å; P234-W325 HydrophobicContact CB-CD2 4.22Å; P234-W325 HydrophobicContact CB-CE3 3.33Å; P234-W325 HydrophobicContact CB-CH2 4.45Å; P234-W325 HydrophobicContact CB-CZ3 3.46Å; P234-W325 VanDerWaalsContact CB-CZ3 3.46Å; P234-L330 HydrophobicContact CB-CD1 3.57Å; P234-L330 HydrophobicContact CG-CD1 4.1Å
235	S	97.9	Very high	98.4	Very high	63 Å²	63	39.5 Å²	39.5	44%	0.441	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.5	175.5	-47.5	0	0	0	0	115.1	H233	H233-S235 VanDerWaalsContact C-N 3.3Å; H233-S235 PolarHBondContact CE1-OG 3.46Å; H233-S235 PolarHBondContact ND1-N 2.6Å; H233-S235 VanDerWaalsContact ND1-N 3.12Å; H233-S235 PolarHBondContact O-N 2.88Å
236	F	98.5	Very high	98.4	Very high	37 Å²	37	39.7 Å²	39.7	16%	0.162	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-5	-168.3	-67	-74.1	0	0	0	115	H233 G238 S239 F244 T245 Y264	H233-F236 HydrophobicContact CB-CD2 4.24Å; H233-F236 AromaticContact CG-CD2 3.86Å; H233-F236 AromaticContact ND1-CD2 3.51Å; H233-F236 PolarHBondContact O-N 3.02Å; H233-F236 VanDerWaalsContact O-N 3.07Å; F236-G238 PolarHBondContact O-N 3.09Å; F236-S239 WeakPolarHBondContact O-CB 3.26Å; F236-S239 PolarHBondContact O-N 2.83Å; F236-F244 HydrophobicContact CB-CD1 4.01Å; F236-F244 HydrophobicContact CB-CE1 3.97Å; F236-F244 HydrophobicContact CD1-CD1 4.03Å; F236-F244 HydrophobicContact CG-CD1 4.29Å; F236-F244 WeakPolarHBondContact O-CE1 3.33Å; F236-T245 HydrophobicContact CE1-CG2 4.17Å; F236-T245 HydrophobicContact CZ-CG2 3.7Å; F236-Y264 HydrophobicContact CB-CD1 4.25Å; F236-Y264 HydrophobicContact CB-CG 4.29Å; F236-Y264 AromaticContact CD2-CD1 3.39Å; F236-Y264 HydrophobicContact CD2-CD1 3.39Å; F236-Y264 AromaticContact CD2-CE1 3.79Å; F236-Y264 HydrophobicContact CD2-CE1 3.79Å; F236-Y264 HydrophobicContact CD2-CG 4.02Å; F236-Y264 AromaticContact CE2-CD1 3.95Å; F236-Y264 HydrophobicContact CE2-CD1 3.95Å; F236-Y264 AromaticContact CE2-CE1 3.88Å; F236-Y264 HydrophobicContact CE2-CE1 3.88Å; F236-Y264 HydrophobicContact CG-CD1 4.02Å; F236-Y264 HydrophobicContact CG-CG 4.22Å
237	Y	97.6	Very high	98.4	Very high	90 Å²	90	39.2 Å²	39.2	35%	0.353	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.3	-176.2	72.1	-84.4	0	0	0	114.8	H233 P234 P321 W325 V335	H233-Y237 PolarHBondContact O-N 3.41Å; P234-Y237 WeakPolarHBondContact O-CD1 3.41Å; P234-Y237 WeakPolarHBondContact O-CE1 3.41Å; Y237-P321 HydrophobicContact CD1-CB 4.36Å; Y237-P321 HydrophobicContact CD1-CG 3.65Å; Y237-P321 HydrophobicContact CD2-CG 4.21Å; Y237-P321 HydrophobicContact CE1-CG 4.37Å; Y237-P321 HydrophobicContact CG-CG 3.56Å; Y237-W325 HydrophobicContact CD1-CZ3 4.29Å; Y237-W325 AromaticContact CE1-CH2 3.76Å; Y237-W325 HydrophobicContact CE1-CH2 3.76Å; Y237-W325 AromaticContact CE1-CZ3 3.71Å; Y237-W325 HydrophobicContact CE1-CZ3 3.71Å; Y237-V335 HydrophobicContact CE2-CG1 4.19Å
238	G	97.1	Very high	98.4	Very high	72 Å²	72	38.9 Å²	38.9	74%	0.742	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	4.9	173.7	0	0	0	0	0	114.5	F236	F236-G238 PolarHBondContact O-N 3.09Å
239	S	98.2	Very high	98.4	Very high	47 Å²	47	43.5 Å²	43.5	33%	0.329	24%	0.238	S	C	.	.	S	Bend	trans	-89.3	155.2	-177.3	-54.1	0	0	0	0	112.1	F236 F244	F236-S239 WeakPolarHBondContact O-CB 3.26Å; F236-S239 PolarHBondContact O-N 2.83Å; S239-F244 WeakPolarHBondContact O-CE1 3.48Å
240	S	98.4	Very high	98.4	Very high	58 Å²	58	47.6 Å²	47.6	41%	0.406	27%	0.265	S	S	.	.			trans	-77.1	156.1	170.2	60.7	0	0	0	0	111.8	E242 A243 F244	S240-E242 VanDerWaalsContact CB-CD 3.42Å; S240-E242 WeakPolarHBondContact CB-OE1 3.5Å; S240-E242 WeakPolarHBondContact CB-OE2 3.44Å; S240-E242 PolarHBondContact O-N 2.91Å; S240-E242 PolarHBondContact OG-OE1 3.38Å; S240-E242 PolarHBondContact OG-OE2 2.82Å; S240-A243 WeakPolarHBondContact O-CB 3.21Å; S240-A243 PolarHBondContact O-N 3.46Å; S240-F244 PolarHBondContact O-N 2.87Å
241	R	98.1	Very high	98.4	Very high	119 Å²	119	53.6 Å²	53.6	45%	0.449	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.7	-170.6	71.2	171.4	70.9	90.9	-1	114.2	A243 F244 R248 D259 G261	R241-A243 VanDerWaalsContact C-N 3.26Å; R241-A243 PolarHBondContact O-N 3.36Å; R241-F244 HydrophobicContact CB-CD2 4Å; R241-F244 HydrophobicContact CB-CE2 4.02Å; R241-F244 WeakPolarHBondContact O-CB 3.35Å; R241-F244 PolarHBondContact O-N 3.06Å; R241-R248 PolarHBondContact O-NH2 3.34Å; R241-D259 WeakPolarHBondContact CD-O 3.25Å; R241-G261 PolarHBondContact NE-O 2.98Å
242	E	97.3	Very high	98.4	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.1	177.7	62.9	-82.8	-172.4	0	0	112.3	S240 K258	S240-E242 VanDerWaalsContact CB-CD 3.42Å; S240-E242 WeakPolarHBondContact CB-OE1 3.5Å; S240-E242 WeakPolarHBondContact CB-OE2 3.44Å; S240-E242 PolarHBondContact O-N 2.91Å; S240-E242 PolarHBondContact OG-OE1 3.38Å; S240-E242 PolarHBondContact OG-OE2 2.82Å; E242-K258 HydrophobicContact CB-CD 4.17Å; E242-K258 PolarHBondContact O-NZ 3.1Å
243	A	98.3	Very high	98.4	Very high	51 Å²	51	57.4 Å²	57.4	42%	0.421	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.6	176	0	0	0	0	0	112.7	S240 R241 T245	S240-A243 WeakPolarHBondContact O-CB 3.21Å; S240-A243 PolarHBondContact O-N 3.46Å; R241-A243 VanDerWaalsContact C-N 3.26Å; R241-A243 PolarHBondContact O-N 3.36Å; A243-T245 PolarHBondContact O-N 3.13Å
244	F	98.8	Very high	98.4	Very high	12 Å²	12	55.8 Å²	55.8	5%	0.053	30%	0.303	C	S	.	.	S	Bend	trans	-58.9	134.4	173.7	-65.7	-16.7	0	0	0	111.1	F236 S239 S240 R241 Y246 R248 Y264	F236-F244 HydrophobicContact CB-CD1 4.01Å; F236-F244 HydrophobicContact CB-CE1 3.97Å; F236-F244 HydrophobicContact CD1-CD1 4.03Å; F236-F244 HydrophobicContact CG-CD1 4.29Å; F236-F244 WeakPolarHBondContact O-CE1 3.33Å; S239-F244 WeakPolarHBondContact O-CE1 3.48Å; S240-F244 PolarHBondContact O-N 2.87Å; R241-F244 HydrophobicContact CB-CD2 4Å; R241-F244 HydrophobicContact CB-CE2 4.02Å; R241-F244 WeakPolarHBondContact O-CB 3.35Å; R241-F244 PolarHBondContact O-N 3.06Å; F244-Y246 HydrophobicContact CB-CD2 4.03Å; F244-Y246 HydrophobicContact CB-CE1 4.36Å; F244-Y246 HydrophobicContact CB-CE2 3.87Å; F244-Y246 HydrophobicContact CB-CG 4.34Å; F244-Y246 HydrophobicContact CD2-CE1 4.41Å; F244-Y246 AromaticContact CD2-CE2 3.64Å; F244-Y246 HydrophobicContact CD2-CE2 3.64Å; F244-Y246 AromaticContact CD2-CZ 3.54Å; F244-Y246 VanDerWaalsContact CD2-OH 3.29Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.11Å; F244-Y246 HydrophobicContact CG-CE2 4.27Å; F244-Y246 PolarHBondContact O-N 2.87Å; F244-R248 PolarHBondContact O-NH2 3.16Å; F244-Y264 HydrophobicContact CB-CD2 3.79Å; F244-Y264 HydrophobicContact CB-CG 4.4Å; F244-Y264 HydrophobicContact CD1-CG 4.47Å; F244-Y264 HydrophobicContact CG-CD2 4.2Å; F244-Y264 HydrophobicContact CG-CG 4.38Å
245	T	98.6	Very high	98.4	Very high	47 Å²	47	58.9 Å²	58.9	29%	0.288	31%	0.314	S	S	.	.			trans	-83.6	38.4	-176.9	52.4	0	0	0	0	112.7	F236 A243 Y264 W300	F236-T245 HydrophobicContact CE1-CG2 4.17Å; F236-T245 HydrophobicContact CZ-CG2 3.7Å; A243-T245 PolarHBondContact O-N 3.13Å; T245-Y264 VanDerWaalsContact OG1-CZ 3.24Å; T245-Y264 PolarHBondContact OG1-OH 2.91Å; T245-Y264 VanDerWaalsContact OG1-OH 3.09Å; T245-W300 VanDerWaalsContact CB-NE1 3.27Å; T245-W300 PolarHBondContact OG1-NE1 3.23Å
246	Y	98.9	Very high	98.5	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.027	29%	0.293	C	S	.	.			trans	-58.3	159.4	171.2	-56.5	-45.5	0	0	0	111.3	F244 R248 I256 F263 Y264 N307	F244-Y246 HydrophobicContact CB-CD2 4.03Å; F244-Y246 HydrophobicContact CB-CE1 4.36Å; F244-Y246 HydrophobicContact CB-CE2 3.87Å; F244-Y246 HydrophobicContact CB-CG 4.34Å; F244-Y246 HydrophobicContact CD2-CE1 4.41Å; F244-Y246 AromaticContact CD2-CE2 3.64Å; F244-Y246 HydrophobicContact CD2-CE2 3.64Å; F244-Y246 AromaticContact CD2-CZ 3.54Å; F244-Y246 VanDerWaalsContact CD2-OH 3.29Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.11Å; F244-Y246 HydrophobicContact CG-CE2 4.27Å; F244-Y246 PolarHBondContact O-N 2.87Å; Y246-R248 WeakPolarHBondContact O-CD 3.29Å; Y246-R248 VanDerWaalsContact O-CG 3.31Å; Y246-R248 WeakPolarHBondContact O-CG 3.36Å; Y246-R248 PolarHBondContact O-N 3.46Å; Y246-R248 PolarHBondContact O-NE 3.28Å; Y246-I256 HydrophobicContact CD1-CD1 3.77Å; Y246-I256 HydrophobicContact CD2-CB 3.81Å; Y246-I256 HydrophobicContact CD2-CD1 3.93Å; Y246-I256 HydrophobicContact CD2-CG1 4.45Å; Y246-I256 HydrophobicContact CD2-CG2 3.65Å; Y246-I256 HydrophobicContact CE1-CD1 4.03Å; Y246-I256 HydrophobicContact CE2-CD1 4.19Å; Y246-I256 HydrophobicContact CE2-CG2 3.95Å; Y246-I256 HydrophobicContact CG-CB 4.05Å; Y246-I256 HydrophobicContact CG-CD1 3.72Å; Y246-I256 HydrophobicContact CG-CG1 4.38Å; Y246-I256 HydrophobicContact CG-CG2 4.37Å; Y246-F263 PolarHBondContact OH-O 2.87Å; Y246-Y264 AromaticContact CD1-CD2 3.51Å; Y246-Y264 HydrophobicContact CD1-CD2 3.51Å; Y246-Y264 AromaticContact CD1-CE2 3.63Å; Y246-Y264 HydrophobicContact CD1-CE2 3.63Å; Y246-Y264 AromaticContact CE1-CD2 3.35Å; Y246-Y264 HydrophobicContact CE1-CD2 3.35Å; Y246-Y264 AromaticContact CE1-CE2 3.95Å; Y246-Y264 HydrophobicContact CE1-CE2 3.95Å; Y246-Y264 HydrophobicContact CE1-CG 4.31Å; Y246-Y264 HydrophobicContact CG-CD2 4.45Å; Y246-N307 HydrophobicContact CD1-CB 3.78Å; Y246-N307 HydrophobicContact CE1-CB 3.64Å; Y246-N307 WeakPolarHBondContact CE1-OD1 3.31Å
247	E	98.9	Very high	98.5	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.023	29%	0.292	C	S	.	.			trans	-60.6	125	166.6	179.6	54.2	-106.5	0	0	110.2	R249 A254 Y255 I256 A298 V299	E247-R249 WeakPolarHBondContact OE1-CB 3.22Å; E247-R249 WeakPolarHBondContact OE1-CG 3.26Å; E247-R249 IonicContact OE1-CZ 3.5Å; E247-R249 PolarHBondContact OE1-N 2.86Å; E247-R249 IonicContact OE1-NE 3.43Å; E247-R249 PolarHBondContact OE1-NE 3.12Å; E247-R249 IonicContact OE1-NH2 3.81Å; E247-R249 IonicContact OE2-CZ 3.14Å; E247-R249 IonicContact OE2-NE 3.61Å; E247-R249 PolarHBondContact OE2-NE 2.76Å; E247-R249 IonicContact OE2-NH2 2.98Å; E247-R249 PolarHBondContact OE2-NH2 3.08Å; E247-A254 HydrophobicContact CB-CB 3.82Å; E247-A254 HydrophobicContact CG-CB 4.21Å; E247-Y255 WeakPolarHBondContact O-CA 3.48Å; E247-I256 PolarHBondContact O-N 2.88Å; E247-A298 WeakPolarHBondContact OE2-CA 3.44Å; E247-V299 HydrophobicContact CB-CG1 4.33Å; E247-V299 PolarHBondContact OE2-N 2.73Å
248	R	98.8	Very high	98.5	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.215	30%	0.3	C	S	.	.			trans	-112.7	-3.9	-175.4	-55.8	-49.5	-175.9	161.1	3.3	113.1	R241 F244 Y246 P250 Y255 I256 P257	R241-R248 PolarHBondContact O-NH2 3.34Å; F244-R248 PolarHBondContact O-NH2 3.16Å; Y246-R248 WeakPolarHBondContact O-CD 3.29Å; Y246-R248 VanDerWaalsContact O-CG 3.31Å; Y246-R248 WeakPolarHBondContact O-CG 3.36Å; Y246-R248 PolarHBondContact O-N 3.46Å; Y246-R248 PolarHBondContact O-NE 3.28Å; R248-P250 WeakPolarHBondContact O-CD 3.18Å; R248-Y255 VanDerWaalsContact C-CD2 3.47Å; R248-Y255 WeakPolarHBondContact O-CD2 3.41Å; R248-Y255 WeakPolarHBondContact O-CE2 3.42Å; R248-I256 WeakPolarHBondContact CD-O 3.2Å; R248-I256 PolarHBondContact NH1-O 3.37Å; R248-P257 VanDerWaalsContact NH1-C 3.29Å; R248-P257 PolarHBondContact NH1-O 3.25Å
249	R	98.8	Very high	98.6	Very high	100 Å²	100	59.1 Å²	59.1	38%	0.377	30%	0.297	S	S	.	.			trans	-81.8	114.7	173.7	-65.2	172.1	-68.2	171.9	2	109.2	E247 Q251 S252 I296 E297	E247-R249 WeakPolarHBondContact OE1-CB 3.22Å; E247-R249 WeakPolarHBondContact OE1-CG 3.26Å; E247-R249 IonicContact OE1-CZ 3.5Å; E247-R249 PolarHBondContact OE1-N 2.86Å; E247-R249 IonicContact OE1-NE 3.43Å; E247-R249 PolarHBondContact OE1-NE 3.12Å; E247-R249 IonicContact OE1-NH2 3.81Å; E247-R249 IonicContact OE2-CZ 3.14Å; E247-R249 IonicContact OE2-NE 3.61Å; E247-R249 PolarHBondContact OE2-NE 2.76Å; E247-R249 IonicContact OE2-NH2 2.98Å; E247-R249 PolarHBondContact OE2-NH2 3.08Å; R249-Q251 PolarHBondContact O-N 2.69Å; R249-S252 PolarHBondContact O-N 2.84Å; R249-S252 VanDerWaalsContact O-N 3.09Å; R249-I296 HydrophobicContact CB-CD1 4.15Å; R249-E297 PolarHBondContact NH2-O 2.71Å
250	P	98.6	Very high	98.6	Very high	86 Å²	86	59.6 Å²	59.6	56%	0.558	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.2	-178	-24	35.2	0	0	0	114.9	R248 S252 Y255	R248-P250 WeakPolarHBondContact O-CD 3.18Å; P250-S252 VanDerWaalsContact C-N 3.28Å; P250-Y255 HydrophobicContact CB-CD1 4.26Å; P250-Y255 HydrophobicContact CB-CE1 4.29Å; P250-Y255 HydrophobicContact CB-CG 4.38Å; P250-Y255 HydrophobicContact CG-CD2 4.33Å; P250-Y255 HydrophobicContact CG-CE1 4.33Å; P250-Y255 HydrophobicContact CG-CE2 4.01Å
251	Q	98.7	Very high	98.6	Very high	126 Å²	126	57.2 Å²	57.2	59%	0.589	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.9	177.3	-59.6	79.5	7.9	0	0	112.8	R249 I296	R249-Q251 PolarHBondContact O-N 2.69Å; Q251-I296 HydrophobicContact CB-CD1 4.07Å
252	S	98.9	Very high	98.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-86.6	142	179	167.4	0	0	0	0	111.5	R249 P250 A254 Y255 D291	R249-S252 PolarHBondContact O-N 2.84Å; R249-S252 VanDerWaalsContact O-N 3.09Å; P250-S252 VanDerWaalsContact C-N 3.28Å; S252-A254 PolarHBondContact O-N 2.76Å; S252-A254 WeakPolarHBondContact OG-CB 3.21Å; S252-A254 PolarHBondContact OG-N 2.79Å; S252-Y255 VanDerWaalsContact O-CB 3.25Å; S252-Y255 WeakPolarHBondContact O-CB 3.45Å; S252-Y255 PolarHBondContact O-N 2.82Å; S252-D291 WeakPolarHBondContact CA-OD1 3.41Å; S252-D291 WeakPolarHBondContact CB-OD2 3.23Å; S252-D291 PolarHBondContact OG-OD2 3.49Å
253	Q	98.8	Very high	98.7	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.9	170.3	-64.9	-53.4	-61.1	0	0	112.5	Y255 A287 V290 D291 K308	Q253-Y255 VanDerWaalsContact C-N 3.26Å; Q253-Y255 PolarHBondContact O-N 3.2Å; Q253-A287 HydrophobicContact CB-CB 3.81Å; Q253-A287 HydrophobicContact CG-CB 4.34Å; Q253-V290 HydrophobicContact CG-CB 3.81Å; Q253-V290 HydrophobicContact CG-CG1 3.61Å; Q253-D291 WeakPolarHBondContact CG-OD1 3.41Å; Q253-D291 PolarHBondContact N-OD1 3.22Å; Q253-D291 PolarHBondContact N-OD2 3.08Å; Q253-K308 WeakPolarHBondContact O-CG 3.47Å; Q253-K308 PolarHBondContact O-NZ 2.8Å
254	A	98.8	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.5	177.2	0	0	0	0	0	114.1	E247 S252 I256 A298	E247-A254 HydrophobicContact CB-CB 3.82Å; E247-A254 HydrophobicContact CG-CB 4.21Å; S252-A254 PolarHBondContact O-N 2.76Å; S252-A254 WeakPolarHBondContact OG-CB 3.21Å; S252-A254 PolarHBondContact OG-N 2.79Å; A254-I256 PolarHBondContact O-N 2.84Å; A254-A298 HydrophobicContact CB-CB 3.96Å
255	Y	98.9	Very high	98.7	Very high	73 Å²	73	48.7 Å²	48.7	29%	0.286	24%	0.236	S	C	.	.			trans	-54.5	131	-176.6	174.9	-117.8	0	0	0	113.4	E247 R248 P250 S252 Q253 P257 K308	E247-Y255 WeakPolarHBondContact O-CA 3.48Å; R248-Y255 VanDerWaalsContact C-CD2 3.47Å; R248-Y255 WeakPolarHBondContact O-CD2 3.41Å; R248-Y255 WeakPolarHBondContact O-CE2 3.42Å; P250-Y255 HydrophobicContact CB-CD1 4.26Å; P250-Y255 HydrophobicContact CB-CE1 4.29Å; P250-Y255 HydrophobicContact CB-CG 4.38Å; P250-Y255 HydrophobicContact CG-CD2 4.33Å; P250-Y255 HydrophobicContact CG-CE1 4.33Å; P250-Y255 HydrophobicContact CG-CE2 4.01Å; S252-Y255 VanDerWaalsContact O-CB 3.25Å; S252-Y255 WeakPolarHBondContact O-CB 3.45Å; S252-Y255 PolarHBondContact O-N 2.82Å; Q253-Y255 VanDerWaalsContact C-N 3.26Å; Q253-Y255 PolarHBondContact O-N 3.2Å; Y255-P257 HydrophobicContact CE1-CG 3.72Å; Y255-K308 PolarHBondContact O-NZ 2.83Å
256	I	98.9	Very high	98.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.			trans	-129.3	123.5	169.9	-60	173.2	0	0	0	109.1	Y246 E247 R248 A254 E260 N307 K308 L311	Y246-I256 HydrophobicContact CD1-CD1 3.77Å; Y246-I256 HydrophobicContact CD2-CB 3.81Å; Y246-I256 HydrophobicContact CD2-CD1 3.93Å; Y246-I256 HydrophobicContact CD2-CG1 4.45Å; Y246-I256 HydrophobicContact CD2-CG2 3.65Å; Y246-I256 HydrophobicContact CE1-CD1 4.03Å; Y246-I256 HydrophobicContact CE2-CD1 4.19Å; Y246-I256 HydrophobicContact CE2-CG2 3.95Å; Y246-I256 HydrophobicContact CG-CB 4.05Å; Y246-I256 HydrophobicContact CG-CD1 3.72Å; Y246-I256 HydrophobicContact CG-CG1 4.38Å; Y246-I256 HydrophobicContact CG-CG2 4.37Å; E247-I256 PolarHBondContact O-N 2.88Å; R248-I256 WeakPolarHBondContact CD-O 3.2Å; R248-I256 PolarHBondContact NH1-O 3.37Å; A254-I256 PolarHBondContact O-N 2.84Å; I256-E260 HydrophobicContact CG2-CB 3.84Å; I256-N307 HydrophobicContact CD1-CB 4.26Å; I256-K308 HydrophobicContact CD1-CB 4.4Å; I256-K308 HydrophobicContact CG1-CD 4.2Å; I256-L311 HydrophobicContact CB-CD2 4.47Å; I256-L311 HydrophobicContact CD1-CD2 4.01Å; I256-L311 HydrophobicContact CG1-CD2 3.93Å; I256-L311 HydrophobicContact CG2-CD2 3.76Å
257	P	98.6	Very high	98.7	Very high	22 Å²	22	46.6 Å²	46.6	14%	0.143	23%	0.225	C	C	.	.			trans	-58.1	159.3	173.4	-27.8	36.9	0	0	0	114.2	R248 Y255 D259 E260	R248-P257 VanDerWaalsContact NH1-C 3.29Å; R248-P257 PolarHBondContact NH1-O 3.25Å; Y255-P257 HydrophobicContact CE1-CG 3.72Å; P257-D259 VanDerWaalsContact C-N 3.26Å; P257-D259 WeakPolarHBondContact CB-OD1 3.43Å; P257-D259 PolarHBondContact O-N 3.23Å; P257-E260 HydrophobicContact CB-CB 4.37Å; P257-E260 HydrophobicContact CB-CG 4.24Å; P257-E260 HydrophobicContact CG-CG 4.3Å; P257-E260 WeakPolarHBondContact CG-OE1 3.26Å; P257-E260 PolarHBondContact O-N 3.42Å
258	K	98.4	Very high	98.7	Very high	119 Å²	119	46.8 Å²	46.8	52%	0.517	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.4	-176.3	-80.2	-77.6	-178.5	171.2	0	113.6	E242	E242-K258 HydrophobicContact CB-CD 4.17Å; E242-K258 PolarHBondContact O-NZ 3.1Å
259	D	98.3	Very high	98.7	Very high	126 Å²	126	44.1 Å²	44.1	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.2	178.6	58	-25.4	0	0	0	113.5	R241 P257	R241-D259 WeakPolarHBondContact CD-O 3.25Å; P257-D259 VanDerWaalsContact C-N 3.26Å; P257-D259 WeakPolarHBondContact CB-OD1 3.43Å; P257-D259 PolarHBondContact O-N 3.23Å
260	E	98.8	Very high	98.7	Very high	57 Å²	57	39.4 Å²	39.4	27%	0.266	20%	0.2	S	C	.	.			trans	-101	157.7	174.1	-68.7	-171.1	-133.7	0	0	112.3	I256 P257 L311 R312	I256-E260 HydrophobicContact CG2-CB 3.84Å; P257-E260 HydrophobicContact CB-CB 4.37Å; P257-E260 HydrophobicContact CB-CG 4.24Å; P257-E260 HydrophobicContact CG-CG 4.3Å; P257-E260 WeakPolarHBondContact CG-OE1 3.26Å; P257-E260 PolarHBondContact O-N 3.42Å; E260-L311 HydrophobicContact CB-CD2 4.33Å; E260-R312 IonicContact OE1-NH2 3.19Å; E260-R312 IonicContact OE2-CZ 2.89Å; E260-R312 VanDerWaalsContact OE2-CZ 3.28Å; E260-R312 IonicContact OE2-NH1 2.72Å; E260-R312 PolarHBondContact OE2-NH1 3.29Å; E260-R312 VanDerWaalsContact OE2-NH1 3.14Å; E260-R312 IonicContact OE2-NH2 3.28Å; E260-R312 PolarHBondContact OE2-NH2 2.87Å
261	G	98.3	Very high	98.7	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	17%	0.173	C	C	.	.			trans	119.8	126.8	179.8	0	0	0	0	0	112.9	R241	R241-G261 PolarHBondContact NE-O 2.98Å
262	D	98.7	Very high	98.7	Very high	60 Å²	60	29.3 Å²	29.3	32%	0.321	15%	0.145	S	C	.	.	S	Bend	trans	-89.4	-53	172.9	-45	-80.1	0	0	0	110.6	W90 K314	W90-D262 HydrophobicContact CH2-CB 3.75Å; W90-D262 HydrophobicContact CZ3-CB 3.7Å; W90-D262 VanDerWaalsContact CZ3-CG 3.49Å; D262-K314 IonicContact OD1-NZ 3.46Å; D262-K314 PolarHBondContact OD1-NZ 2.9Å; D262-K314 IonicContact OD2-NZ 2.7Å; D262-K314 PolarHBondContact OD2-NZ 3.04Å
263	F	98.8	Very high	98.7	Very high	34 Å²	34	30.4 Å²	30.4	15%	0.149	15%	0.153	C	C	.	.			trans	-146.6	154.2	-177.7	-57.4	-76.9	0	0	0	110.8	L85 T88 W90 I94 L232 Y246 Y265	L85-F263 HydrophobicContact CD2-CZ 4.22Å; T88-F263 HydrophobicContact CG2-CE2 3.84Å; T88-F263 HydrophobicContact CG2-CZ 4.24Å; W90-F263 AromaticContact CH2-CD2 3.9Å; W90-F263 HydrophobicContact CH2-CD2 3.9Å; W90-F263 AromaticContact CH2-CE2 3.64Å; W90-F263 HydrophobicContact CH2-CE2 3.64Å; W90-F263 HydrophobicContact CZ2-CE2 4.38Å; W90-F263 HydrophobicContact CZ3-CE2 4.28Å; I94-F263 HydrophobicContact CD1-CE1 4.37Å; I94-F263 HydrophobicContact CD1-CZ 3.86Å; L232-F263 HydrophobicContact CD2-CB 3.46Å; L232-F263 VanDerWaalsContact CD2-CB 3.46Å; L232-F263 HydrophobicContact CD2-CD1 3.48Å; L232-F263 VanDerWaalsContact CD2-CD1 3.48Å; L232-F263 HydrophobicContact CD2-CD2 4.32Å; L232-F263 HydrophobicContact CD2-CE1 4.28Å; L232-F263 HydrophobicContact CD2-CG 3.49Å; L232-F263 VanDerWaalsContact CD2-CG 3.49Å; Y246-F263 PolarHBondContact OH-O 2.87Å; F263-Y265 HydrophobicContact CB-CD1 4.46Å; F263-Y265 HydrophobicContact CB-CE1 3.99Å; F263-Y265 HydrophobicContact CB-CE2 4.19Å; F263-Y265 HydrophobicContact CD2-CE1 4.29Å; F263-Y265 AromaticContact CD2-CZ 3.97Å; F263-Y265 WeakPolarHBondContact CD2-OH 3.21Å
264	Y	98.9	Very high	98.7	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.136	C	C	.	.			trans	-90.1	108.4	167.1	-163.4	-96	0	0	0	109.8	H233 F236 F244 T245 Y246 W300 E303	H233-Y264 HydrophobicContact CB-CD1 3.57Å; H233-Y264 HydrophobicContact CB-CE1 4.23Å; H233-Y264 WeakPolarHBondContact CB-O 3.44Å; H233-Y264 AromaticContact CD2-CE1 3.81Å; H233-Y264 AromaticContact CG-CD1 3.83Å; H233-Y264 PolarHBondContact N-O 2.81Å; F236-Y264 HydrophobicContact CB-CD1 4.25Å; F236-Y264 HydrophobicContact CB-CG 4.29Å; F236-Y264 AromaticContact CD2-CD1 3.39Å; F236-Y264 HydrophobicContact CD2-CD1 3.39Å; F236-Y264 AromaticContact CD2-CE1 3.79Å; F236-Y264 HydrophobicContact CD2-CE1 3.79Å; F236-Y264 HydrophobicContact CD2-CG 4.02Å; F236-Y264 AromaticContact CE2-CD1 3.95Å; F236-Y264 HydrophobicContact CE2-CD1 3.95Å; F236-Y264 AromaticContact CE2-CE1 3.88Å; F236-Y264 HydrophobicContact CE2-CE1 3.88Å; F236-Y264 HydrophobicContact CG-CD1 4.02Å; F236-Y264 HydrophobicContact CG-CG 4.22Å; F244-Y264 HydrophobicContact CB-CD2 3.79Å; F244-Y264 HydrophobicContact CB-CG 4.4Å; F244-Y264 HydrophobicContact CD1-CG 4.47Å; F244-Y264 HydrophobicContact CG-CD2 4.2Å; F244-Y264 HydrophobicContact CG-CG 4.38Å; T245-Y264 VanDerWaalsContact OG1-CZ 3.24Å; T245-Y264 PolarHBondContact OG1-OH 2.91Å; T245-Y264 VanDerWaalsContact OG1-OH 3.09Å; Y246-Y264 AromaticContact CD1-CD2 3.51Å; Y246-Y264 HydrophobicContact CD1-CD2 3.51Å; Y246-Y264 AromaticContact CD1-CE2 3.63Å; Y246-Y264 HydrophobicContact CD1-CE2 3.63Å; Y246-Y264 AromaticContact CE1-CD2 3.35Å; Y246-Y264 HydrophobicContact CE1-CD2 3.35Å; Y246-Y264 AromaticContact CE1-CE2 3.95Å; Y246-Y264 HydrophobicContact CE1-CE2 3.95Å; Y246-Y264 HydrophobicContact CE1-CG 4.31Å; Y246-Y264 HydrophobicContact CG-CD2 4.45Å; Y264-W300 VanDerWaalsContact OH-CD1 3.3Å; Y264-E303 WeakPolarHBondContact CE1-OE1 3.32Å; Y264-E303 PolarHBondContact OH-OE1 2.84Å
265	Y	98.9	Very high	98.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.1	179.9	-55.4	-77.4	0	0	0	111.2	T231 L232 F263 E303 N307 L310 P315 V318	T231-Y265 CarbonylContact O-C 3.28Å; T231-Y265 WeakPolarHBondContact O-CA 3.42Å; L232-Y265 HydrophobicContact CD2-CE1 4.49Å; F263-Y265 HydrophobicContact CB-CD1 4.46Å; F263-Y265 HydrophobicContact CB-CE1 3.99Å; F263-Y265 HydrophobicContact CB-CE2 4.19Å; F263-Y265 HydrophobicContact CD2-CE1 4.29Å; F263-Y265 AromaticContact CD2-CZ 3.97Å; F263-Y265 WeakPolarHBondContact CD2-OH 3.21Å; Y265-E303 WeakPolarHBondContact O-CG 3.41Å; Y265-N307 WeakPolarHBondContact CD2-OD1 3.31Å; Y265-N307 PolarHBondContact N-OD1 2.69Å; Y265-N307 PolarHBondContact O-ND2 3.02Å; Y265-L310 HydrophobicContact CD1-CD1 4.05Å; Y265-L310 HydrophobicContact CD2-CB 3.8Å; Y265-L310 HydrophobicContact CD2-CD1 3.6Å; Y265-L310 HydrophobicContact CD2-CG 4.36Å; Y265-L310 HydrophobicContact CE1-CD1 4.47Å; Y265-L310 HydrophobicContact CE2-CB 3.68Å; Y265-L310 HydrophobicContact CE2-CD1 4.06Å; Y265-L310 HydrophobicContact CG-CD1 3.56Å; Y265-P315 HydrophobicContact CE1-CG 4.26Å; Y265-V318 HydrophobicContact CE1-CG1 4Å; Y265-V318 HydrophobicContact CE1-CG2 4.06Å
266	V	98.6	Very high	98.7	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.7	-179.9	68.4	0	0	0	0	112.2	T231 H233 A268 F269 E303 L306 L324	T231-V266 HydrophobicContact CG2-CG1 4.12Å; T231-V266 PolarHBondContact O-N 2.9Å; H233-V266 HydrophobicContact CB-CB 4.07Å; V266-A268 HydrophobicContact CG2-CB 3.85Å; V266-A268 PolarHBondContact O-N 3Å; V266-F269 HydrophobicContact CG1-CB 4.45Å; V266-E303 VanDerWaalsContact CA-OE2 3.31Å; V266-E303 WeakPolarHBondContact CA-OE2 3.4Å; V266-L306 VanDerWaalsContact O-CD2 3.31Å; V266-L306 WeakPolarHBondContact O-CD2 3.26Å; V266-L324 HydrophobicContact CB-CD2 4.42Å; V266-L324 HydrophobicContact CG1-CB 4.34Å; V266-L324 HydrophobicContact CG1-CD1 3.8Å; V266-L324 HydrophobicContact CG1-CD2 4.14Å; V266-L324 HydrophobicContact CG1-CG 4.29Å; V266-L324 HydrophobicContact CG2-CD1 4.16Å; V266-L324 HydrophobicContact CG2-CD2 3.9Å
267	G	98.1	Very high	98.7	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-11	176.6	0	0	0	0	0	114.8	R188 E303	R188-G267 PolarHBondContact NH2-O 2.95Å; G267-E303 PolarHBondContact N-OE2 2.98Å
268	A	98.2	Very high	98.7	Very high	9 Å²	9	29.7 Å²	29.7	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-5.7	-174.3	0	0	0	0	0	114.2	V210 D211 V266 L324	V210-A268 WeakPolarHBondContact CA-O 3.48Å; D211-A268 HydrophobicContact CB-CB 3.87Å; D211-A268 PolarHBondContact N-O 2.74Å; D211-A268 VanDerWaalsContact N-O 3.08Å; D211-A268 WeakPolarHBondContact OD2-CB 3.39Å; V266-A268 HydrophobicContact CG2-CB 3.85Å; V266-A268 PolarHBondContact O-N 3Å; A268-L324 HydrophobicContact CB-CD1 3.46Å; A268-L324 VanDerWaalsContact CB-CD1 3.46Å
269	F	98.9	Very high	98.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	103.7	175	-160.3	-24.9	0	0	0	112	V208 C209 V210 V220 I224 F229 T231 V266 L319 Y323 L324 F341	V208-F269 HydrophobicContact CG1-CD1 4.15Å; V208-F269 HydrophobicContact CG1-CE1 3.47Å; V208-F269 VanDerWaalsContact CG1-CE1 3.47Å; V208-F269 HydrophobicContact CG1-CZ 4.09Å; C209-F269 WeakPolarHBondContact O-CA 3.39Å; V210-F269 HydrophobicContact CG1-CB 4.24Å; V210-F269 HydrophobicContact CG1-CD1 3.67Å; V210-F269 HydrophobicContact CG1-CD2 3.99Å; V210-F269 HydrophobicContact CG1-CE1 4.01Å; V210-F269 HydrophobicContact CG1-CE2 4.29Å; V210-F269 HydrophobicContact CG1-CG 3.7Å; V210-F269 HydrophobicContact CG1-CZ 4.31Å; V220-F269 HydrophobicContact CG1-CZ 4.09Å; I224-F269 HydrophobicContact CD1-CE1 4.1Å; I224-F269 HydrophobicContact CD1-CZ 3.98Å; F229-F269 AromaticContact CE2-CD1 3.67Å; F229-F269 HydrophobicContact CE2-CD1 3.67Å; F229-F269 AromaticContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CZ-CD1 4.22Å; F229-F269 AromaticContact CZ-CE1 3.82Å; F229-F269 HydrophobicContact CZ-CE1 3.82Å; T231-F269 VanDerWaalsContact CB-O 3.26Å; T231-F269 WeakPolarHBondContact CB-O 3.49Å; T231-F269 HydrophobicContact CG2-CB 4.48Å; T231-F269 PolarHBondContact N-O 2.73Å; T231-F269 PolarHBondContact OG1-O 3.13Å; V266-F269 HydrophobicContact CG1-CB 4.45Å; F269-L319 HydrophobicContact CD1-CD1 4.36Å; F269-L319 HydrophobicContact CE1-CD1 3.94Å; F269-L319 HydrophobicContact CZ-CD1 4.09Å; F269-Y323 WeakPolarHBondContact CD2-O 3.41Å; F269-Y323 WeakPolarHBondContact CE2-O 3.37Å; F269-L324 HydrophobicContact CB-CD1 3.89Å; F269-F341 AromaticContact CD2-CD1 3.76Å; F269-F341 HydrophobicContact CD2-CD1 3.76Å; F269-F341 HydrophobicContact CD2-CE1 4.11Å; F269-F341 HydrophobicContact CE2-CD1 4.09Å
270	F	98.9	Very high	98.7	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	173	171.4	64	-87.5	0	0	0	110.2	M189 I192 C209 F229 L280 T281 L306	M189-F270 HydrophobicContact CE-CE1 4.05Å; M189-F270 HydrophobicContact CE-CZ 4Å; M189-F270 HydrophobicContact SD-CZ 4.11Å; I192-F270 HydrophobicContact CD1-CZ 4.21Å; C209-F270 HydrophobicContact CB-CD1 4.3Å; C209-F270 HydrophobicContact CB-CD2 4.03Å; C209-F270 HydrophobicContact CB-CE1 3.88Å; C209-F270 HydrophobicContact CB-CE2 3.58Å; C209-F270 HydrophobicContact CB-CG 4.37Å; C209-F270 HydrophobicContact CB-CZ 3.5Å; C209-F270 PolarHBondContact N-O 3.36Å; C209-F270 PolarHBondContact O-N 3.24Å; C209-F270 VanDerWaalsContact O-N 3.12Å; F229-F270 VanDerWaalsContact CZ-C 3.49Å; F270-L280 HydrophobicContact CD2-CD1 4.44Å; F270-L280 HydrophobicContact CD2-CD2 4.15Å; F270-L280 HydrophobicContact CE2-CD2 3.94Å; F270-T281 HydrophobicContact CE2-CG2 4.05Å; F270-T281 HydrophobicContact CZ-CG2 4.39Å; F270-L306 HydrophobicContact CB-CD1 4.43Å; F270-L306 HydrophobicContact CD1-CD2 4.25Å; F270-L306 HydrophobicContact CG-CD1 4.4Å
271	G	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-168.3	177.1	0	0	0	0	0	113	L207 F229	L207-G271 CarbonylContact O-C 3.57Å; L207-G271 WeakPolarHBondContact O-CA 3.48Å; F229-G271 VanDerWaalsContact CD1-C 3.41Å; F229-G271 WeakPolarHBondContact CD1-O 3.28Å; F229-G271 VanDerWaalsContact CZ-CA 3.4Å; F229-G271 VanDerWaalsContact CZ-N 3.33Å; F229-G271 PolarHBondContact N-O 2.76Å; F229-G271 PolarHBondContact O-N 3.19Å
272	G	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-166.7	-173	0	0	0	0	0	112.8	Y206 L207 T226 P227 V277	Y206-G272 CarbonylContact C-O 3.11Å; Y206-G272 VanDerWaalsContact CA-O 3.26Å; Y206-G272 WeakPolarHBondContact CA-O 3.41Å; Y206-G272 WeakPolarHBondContact CB-O 3.47Å; L207-G272 PolarHBondContact N-O 3.29Å; L207-G272 PolarHBondContact O-N 3.17Å; T226-G272 CarbonylContact O-C 3.56Å; T226-G272 VanDerWaalsContact O-CA 3.31Å; T226-G272 WeakPolarHBondContact O-CA 3.49Å; P227-G272 CarbonylContact O-C 3.59Å; P227-G272 WeakPolarHBondContact O-CA 3.33Å; G272-V277 VanDerWaalsContact N-CG2 3.33Å
273	S	98.9	Very high	98.8	Very high	27 Å²	27	23.8 Å²	23.8	19%	0.189	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	154.4	163.3	70.6	0	0	0	0	109.3	T226 P227 Q275 E276 V277	T226-S273 PolarHBondContact O-N 3.37Å; P227-S273 PolarHBondContact O-N 2.91Å; S273-Q275 PolarHBondContact O-N 3.43Å; S273-Q275 VanDerWaalsContact O-N 3.15Å; S273-E276 PolarHBondContact O-N 3.31Å; S273-E276 VanDerWaalsContact O-N 3.12Å; S273-E276 PolarHBondContact OG-N 3.33Å; S273-V277 WeakPolarHBondContact O-CG2 3.45Å; S273-V277 PolarHBondContact O-N 2.92Å
274	V	98.8	Very high	98.8	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-53.6	-39.6	179.3	-179	0	0	0	0	111.7	C196 F200 L201 V204 D205 L207 Q278	C196-V274 HydrophobicContact CB-CG1 4.19Å; F200-V274 HydrophobicContact CB-CG1 3.86Å; F200-V274 HydrophobicContact CB-CG2 4.28Å; L201-V274 HydrophobicContact CB-CG1 4.44Å; L201-V274 HydrophobicContact CD2-CB 4.06Å; L201-V274 HydrophobicContact CD2-CG1 3.61Å; L201-V274 HydrophobicContact CG-CG1 3.72Å; V204-V274 HydrophobicContact CG2-CG2 3.82Å; V204-V274 WeakPolarHBondContact O-CG2 3.47Å; D205-V274 PolarHBondContact O-N 2.96Å; L207-V274 HydrophobicContact CD1-CB 4.42Å; L207-V274 HydrophobicContact CD1-CG1 4.13Å; L207-V274 HydrophobicContact CD1-CG2 4.21Å; L207-V274 HydrophobicContact CG-CG2 4.15Å; V274-Q278 VanDerWaalsContact O-CB 3.32Å; V274-Q278 WeakPolarHBondContact O-CB 3.49Å; V274-Q278 PolarHBondContact O-N 3.13Å
275	Q	98.6	Very high	98.8	Very high	100 Å²	100	23.7 Å²	23.7	47%	0.467	11%	0.114	S	C	.	.	H	α-helix	trans	-63.3	-46.1	179.4	-176.8	176.8	58	0	0	112.8	S273 Q278 R279	S273-Q275 PolarHBondContact O-N 3.43Å; S273-Q275 VanDerWaalsContact O-N 3.15Å; Q275-Q278 WeakPolarHBondContact O-CB 3.27Å; Q275-Q278 PolarHBondContact O-N 2.81Å; Q275-R279 VanDerWaalsContact CD-NH2 3.32Å; Q275-R279 WeakPolarHBondContact O-CG 3.29Å; Q275-R279 PolarHBondContact O-N 2.81Å
276	E	98.8	Very high	98.8	Very high	35 Å²	35	29 Å²	29	16%	0.164	14%	0.139	C	C	.	.	H	α-helix	trans	-71.2	-37.3	-179.5	-72.4	-60	109.8	0	0	111.7	P227 L228 S273 Q278 R279 L280	P227-E276 HydrophobicContact CB-CG 4.14Å; P227-E276 WeakPolarHBondContact O-CB 3.31Å; P227-E276 VanDerWaalsContact O-CG 3.29Å; P227-E276 WeakPolarHBondContact O-CG 3.39Å; L228-E276 HydrophobicContact CB-CB 4.28Å; L228-E276 HydrophobicContact CB-CG 4.47Å; S273-E276 PolarHBondContact O-N 3.31Å; S273-E276 VanDerWaalsContact O-N 3.12Å; S273-E276 PolarHBondContact OG-N 3.33Å; E276-Q278 VanDerWaalsContact C-N 3.33Å; E276-R279 PolarHBondContact O-N 3.07Å; E276-R279 WeakPolarHBondContact OE1-CD 3.48Å; E276-R279 IonicContact OE1-CZ 2.62Å; E276-R279 IonicContact OE1-NE 3.43Å; E276-R279 IonicContact OE1-NH1 3.8Å; E276-R279 PolarHBondContact OE1-NH1 2.93Å; E276-L280 WeakPolarHBondContact O-CB 3.43Å; E276-L280 PolarHBondContact O-N 3.04Å
277	V	98.9	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-40.8	173.7	173.1	0	0	0	0	110.8	I192 L207 G272 S273 L280 T281	I192-V277 HydrophobicContact CG2-CG1 3.81Å; L207-V277 HydrophobicContact CB-CB 4.31Å; L207-V277 HydrophobicContact CB-CG1 4.21Å; L207-V277 HydrophobicContact CB-CG2 4.03Å; L207-V277 HydrophobicContact CD1-CB 4.23Å; L207-V277 HydrophobicContact CD1-CG1 3.94Å; G272-V277 VanDerWaalsContact N-CG2 3.33Å; S273-V277 WeakPolarHBondContact O-CG2 3.45Å; S273-V277 PolarHBondContact O-N 2.92Å; V277-L280 PolarHBondContact O-N 3.24Å; V277-T281 HydrophobicContact CG1-CG2 4.06Å; V277-T281 WeakPolarHBondContact O-CB 3.37Å; V277-T281 VanDerWaalsContact O-CG2 3.24Å; V277-T281 WeakPolarHBondContact O-CG2 3.41Å; V277-T281 PolarHBondContact O-N 3.11Å; V277-T281 PolarHBondContact O-OG1 2.91Å
278	Q	98.8	Very high	98.8	Very high	25 Å²	25	29.9 Å²	29.9	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-46.2	173.6	-173.9	-170.8	28.6	0	0	111.7	C196 E197 V274 Q275 E276 T281 R282	C196-Q278 HydrophobicContact CB-CB 3.8Å; C196-Q278 HydrophobicContact CB-CG 3.82Å; E197-Q278 PolarHBondContact OE1-NE2 2.78Å; V274-Q278 VanDerWaalsContact O-CB 3.32Å; V274-Q278 WeakPolarHBondContact O-CB 3.49Å; V274-Q278 PolarHBondContact O-N 3.13Å; Q275-Q278 WeakPolarHBondContact O-CB 3.27Å; Q275-Q278 PolarHBondContact O-N 2.81Å; E276-Q278 VanDerWaalsContact C-N 3.33Å; Q278-T281 PolarHBondContact O-OG1 2.9Å; Q278-R282 WeakPolarHBondContact O-CB 3.18Å; Q278-R282 PolarHBondContact O-N 3.23Å
279	R	98.9	Very high	98.8	Very high	125 Å²	125	32.1 Å²	32.1	47%	0.472	16%	0.155	S	C	.	.	H	α-helix	trans	-60.4	-48.7	178.2	-72.5	170.3	-178.1	174.6	0.4	111.4	Q275 E276 A283	Q275-R279 VanDerWaalsContact CD-NH2 3.32Å; Q275-R279 WeakPolarHBondContact O-CG 3.29Å; Q275-R279 PolarHBondContact O-N 2.81Å; E276-R279 PolarHBondContact O-N 3.07Å; E276-R279 WeakPolarHBondContact OE1-CD 3.48Å; E276-R279 IonicContact OE1-CZ 2.62Å; E276-R279 IonicContact OE1-NE 3.43Å; E276-R279 IonicContact OE1-NH1 3.8Å; E276-R279 PolarHBondContact OE1-NH1 2.93Å; R279-A283 VanDerWaalsContact O-CB 3.25Å; R279-A283 WeakPolarHBondContact O-CB 3.08Å; R279-A283 PolarHBondContact O-N 2.84Å
280	L	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-55	178.4	-179.8	156.2	0	0	0	111.5	M189 L228 F270 E276 V277 R282 A283 C284 L306 Y309 L310	M189-L280 HydrophobicContact SD-CD2 4.15Å; L228-L280 HydrophobicContact CD1-CD1 3.71Å; F270-L280 HydrophobicContact CD2-CD1 4.44Å; F270-L280 HydrophobicContact CD2-CD2 4.15Å; F270-L280 HydrophobicContact CE2-CD2 3.94Å; E276-L280 WeakPolarHBondContact O-CB 3.43Å; E276-L280 PolarHBondContact O-N 3.04Å; V277-L280 PolarHBondContact O-N 3.24Å; L280-R282 PolarHBondContact O-N 3.07Å; L280-A283 PolarHBondContact O-N 2.8Å; L280-C284 WeakPolarHBondContact O-CB 3.45Å; L280-C284 PolarHBondContact O-N 3.45Å; L280-C284 PolarHBondContact O-SG 2.7Å; L280-C284 VanDerWaalsContact O-SG 3.36Å; L280-L306 HydrophobicContact CD1-CD1 3.76Å; L280-L306 HydrophobicContact CD2-CD1 4.08Å; L280-L306 HydrophobicContact CG-CD1 4.32Å; L280-Y309 VanDerWaalsContact CA-CZ 3.46Å; L280-Y309 HydrophobicContact CB-CD1 3.96Å; L280-Y309 HydrophobicContact CB-CE1 3.58Å; L280-Y309 HydrophobicContact CB-CE2 4.44Å; L280-Y309 HydrophobicContact CD1-CD1 3.72Å; L280-Y309 HydrophobicContact CD1-CE1 3.9Å; L280-Y309 HydrophobicContact CG-CD1 3.61Å; L280-Y309 HydrophobicContact CG-CE1 3.78Å; L280-Y309 HydrophobicContact CG-CG 4.12Å; L280-Y309 PolarHBondContact N-OH 3.32Å; L280-L310 HydrophobicContact CD1-CD2 4.19Å
281	T	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-39.9	-172.5	53.4	0	0	0	0	111.4	M189 I192 S193 F270 V277 Q278 H285	M189-T281 WeakPolarHBondContact O-CB 3.5Å; M189-T281 HydrophobicContact SD-CG2 3.85Å; I192-T281 HydrophobicContact CB-CG2 4.01Å; I192-T281 HydrophobicContact CD1-CG2 4.43Å; I192-T281 HydrophobicContact CG2-CG2 3.78Å; S193-T281 WeakPolarHBondContact CB-OG1 3.31Å; F270-T281 HydrophobicContact CE2-CG2 4.05Å; F270-T281 HydrophobicContact CZ-CG2 4.39Å; V277-T281 HydrophobicContact CG1-CG2 4.06Å; V277-T281 WeakPolarHBondContact O-CB 3.37Å; V277-T281 VanDerWaalsContact O-CG2 3.24Å; V277-T281 WeakPolarHBondContact O-CG2 3.41Å; V277-T281 PolarHBondContact O-N 3.11Å; V277-T281 PolarHBondContact O-OG1 2.91Å; Q278-T281 PolarHBondContact O-OG1 2.9Å; T281-H285 WeakPolarHBondContact O-CB 3.11Å; T281-H285 PolarHBondContact O-N 3.22Å
282	R	98.8	Very high	98.8	Very high	86 Å²	86	40.7 Å²	40.7	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-47.2	172.8	-178.5	172.6	-62.6	164.1	3	112.6	E197 Q278 L280 H285 Q286	E197-R282 IonicContact OE1-CZ 3.52Å; E197-R282 IonicContact OE1-NH1 3.63Å; E197-R282 IonicContact OE1-NH2 2.63Å; E197-R282 PolarHBondContact OE1-NH2 3.12Å; Q278-R282 WeakPolarHBondContact O-CB 3.18Å; Q278-R282 PolarHBondContact O-N 3.23Å; L280-R282 PolarHBondContact O-N 3.07Å; R282-H285 PolarHBondContact O-N 3.06Å; R282-Q286 HydrophobicContact CG-CG 4.46Å; R282-Q286 WeakPolarHBondContact O-CB 3.37Å; R282-Q286 VanDerWaalsContact O-CG 3.32Å; R282-Q286 WeakPolarHBondContact O-CG 3.32Å; R282-Q286 PolarHBondContact O-N 2.66Å
283	A	98.9	Very high	98.7	Very high	35 Å²	35	44.8 Å²	44.8	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-43.8	-180	0	0	0	0	0	111.6	R279 L280 Q286 A287 Y309	R279-A283 VanDerWaalsContact O-CB 3.25Å; R279-A283 WeakPolarHBondContact O-CB 3.08Å; R279-A283 PolarHBondContact O-N 2.84Å; L280-A283 PolarHBondContact O-N 2.8Å; A283-Q286 PolarHBondContact O-N 3.23Å; A283-A287 WeakPolarHBondContact O-CB 2.78Å; A283-A287 PolarHBondContact O-N 3.18Å; A283-Y309 HydrophobicContact CB-CD2 3.69Å; A283-Y309 HydrophobicContact CB-CE2 3.64Å
284	C	98.9	Very high	98.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.1	-72.3	0	0	0	0	111.4	M189 L280 A287 M288 H305	M189-C284 HydrophobicContact CB-CB 4.33Å; M189-C284 HydrophobicContact CG-CB 3.94Å; M189-C284 HydrophobicContact SD-CB 4.03Å; L280-C284 WeakPolarHBondContact O-CB 3.45Å; L280-C284 PolarHBondContact O-N 3.45Å; L280-C284 PolarHBondContact O-SG 2.7Å; L280-C284 VanDerWaalsContact O-SG 3.36Å; C284-A287 PolarHBondContact O-N 3.06Å; C284-M288 HydrophobicContact CB-CE 4.41Å; C284-M288 WeakPolarHBondContact O-CE 3.21Å; C284-M288 WeakPolarHBondContact O-CG 3.45Å; C284-M288 PolarHBondContact O-N 3.16Å; C284-H305 HydrophobicContact CB-CB 4.14Å
285	H	98.8	Very high	98.7	Very high	32 Å²	32	51.8 Å²	51.8	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-48.9	178.2	174.9	56	0	0	0	112.3	M189 E190 T281 R282 A287 M288 M289	M189-H285 HydrophobicContact CB-CB 4.19Å; E190-H285 IonicContact OE2-CE1 3.59Å; E190-H285 PolarHBondContact OE2-CE1 3.03Å; E190-H285 IonicContact OE2-ND1 3.4Å; T281-H285 WeakPolarHBondContact O-CB 3.11Å; T281-H285 PolarHBondContact O-N 3.22Å; R282-H285 PolarHBondContact O-N 3.06Å; H285-A287 VanDerWaalsContact C-N 3.32Å; H285-A287 PolarHBondContact O-N 2.89Å; H285-M288 WeakPolarHBondContact O-CB 3.17Å; H285-M288 PolarHBondContact O-N 3Å; H285-M288 VanDerWaalsContact O-N 3.15Å; H285-M289 WeakPolarHBondContact O-CG 3.41Å; H285-M289 PolarHBondContact O-N 3.12Å
286	Q	98.8	Very high	98.7	Very high	114 Å²	114	48.2 Å²	48.2	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-42.4	177.2	-72.6	174.8	-14.1	0	0	111.8	R282 A283 M288 M289 V290	R282-Q286 HydrophobicContact CG-CG 4.46Å; R282-Q286 WeakPolarHBondContact O-CB 3.37Å; R282-Q286 VanDerWaalsContact O-CG 3.32Å; R282-Q286 WeakPolarHBondContact O-CG 3.32Å; R282-Q286 PolarHBondContact O-N 2.66Å; A283-Q286 PolarHBondContact O-N 3.23Å; Q286-M288 VanDerWaalsContact C-N 3.35Å; Q286-M288 PolarHBondContact O-N 3.29Å; Q286-M289 PolarHBondContact O-N 3.05Å; Q286-V290 WeakPolarHBondContact O-CG2 3.4Å; Q286-V290 PolarHBondContact O-N 3.01Å
287	A	98.8	Very high	98.7	Very high	20 Å²	20	49.5 Å²	49.5	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-40.6	175.8	0	0	0	0	0	112.4	Q253 A283 C284 H285 M289 V290 D291 H305	Q253-A287 HydrophobicContact CB-CB 3.81Å; Q253-A287 HydrophobicContact CG-CB 4.34Å; A283-A287 WeakPolarHBondContact O-CB 2.78Å; A283-A287 PolarHBondContact O-N 3.18Å; C284-A287 PolarHBondContact O-N 3.06Å; H285-A287 VanDerWaalsContact C-N 3.32Å; H285-A287 PolarHBondContact O-N 2.89Å; A287-M289 VanDerWaalsContact C-N 3.33Å; A287-M289 PolarHBondContact O-N 3.03Å; A287-V290 PolarHBondContact O-N 3.18Å; A287-D291 PolarHBondContact O-N 3.21Å; A287-H305 WeakPolarHBondContact CB-ND1 3.37Å
288	M	98.6	Very high	98.7	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.044	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-36.6	173.9	-74.7	-176.9	-71.1	0	0	112.3	M186 M189 C284 H285 Q286 D291 Q292 D302 H305	M186-M288 HydrophobicContact CB-CE 4.39Å; M186-M288 HydrophobicContact CB-SD 3.55Å; M186-M288 VanDerWaalsContact CB-SD 3.55Å; M186-M288 HydrophobicContact CG-SD 3.62Å; M186-M288 VanDerWaalsContact O-CE 3.28Å; M186-M288 WeakPolarHBondContact O-CE 3.38Å; M186-M288 HydrophobicContact SD-SD 3.96Å; M189-M288 HydrophobicContact CB-CE 3.64Å; M189-M288 HydrophobicContact CG-CE 3.6Å; C284-M288 HydrophobicContact CB-CE 4.41Å; C284-M288 WeakPolarHBondContact O-CE 3.21Å; C284-M288 WeakPolarHBondContact O-CG 3.45Å; C284-M288 PolarHBondContact O-N 3.16Å; H285-M288 WeakPolarHBondContact O-CB 3.17Å; H285-M288 PolarHBondContact O-N 3Å; H285-M288 VanDerWaalsContact O-N 3.15Å; Q286-M288 VanDerWaalsContact C-N 3.35Å; Q286-M288 PolarHBondContact O-N 3.29Å; M288-D291 PolarHBondContact O-N 3.15Å; M288-Q292 WeakPolarHBondContact O-CB 3.07Å; M288-Q292 PolarHBondContact O-N 3.39Å; M288-D302 HydrophobicContact SD-CB 4.31Å; M288-H305 WeakPolarHBondContact CG-CD2 3.45Å; M288-H305 VanDerWaalsContact CG-NE2 3.32Å; M288-H305 WeakPolarHBondContact CG-NE2 3.43Å
289	M	98.6	Very high	98.7	Very high	55 Å²	55	51.6 Å²	51.6	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-35.3	176.9	-63.7	-55.1	88	0	0	112.2	H285 Q286 A287 Q292 A293	H285-M289 WeakPolarHBondContact O-CG 3.41Å; H285-M289 PolarHBondContact O-N 3.12Å; Q286-M289 PolarHBondContact O-N 3.05Å; A287-M289 VanDerWaalsContact C-N 3.33Å; A287-M289 PolarHBondContact O-N 3.03Å; M289-Q292 PolarHBondContact O-N 3.02Å; M289-Q292 PolarHBondContact SD-OE1 3.18Å; M289-A293 WeakPolarHBondContact O-CB 3.4Å; M289-A293 PolarHBondContact O-N 3.36Å
290	V	98.8	Very high	98.6	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-44.7	172	173.4	0	0	0	0	110.8	Q253 Q286 A287 Q292 A293 N294	Q253-V290 HydrophobicContact CG-CB 3.81Å; Q253-V290 HydrophobicContact CG-CG1 3.61Å; Q286-V290 WeakPolarHBondContact O-CG2 3.4Å; Q286-V290 PolarHBondContact O-N 3.01Å; A287-V290 PolarHBondContact O-N 3.18Å; V290-Q292 PolarHBondContact O-N 3.19Å; V290-A293 PolarHBondContact O-N 3.22Å; V290-N294 WeakPolarHBondContact O-CB 3.5Å; V290-N294 VanDerWaalsContact O-CG 3.32Å; V290-N294 PolarHBondContact O-N 3.11Å; V290-N294 PolarHBondContact O-ND2 3.36Å
291	D	98.8	Very high	98.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.011	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-44.9	176	-85	11	0	0	0	111.5	S252 Q253 A287 M288 A293 N294 G295 I296 H305	S252-D291 WeakPolarHBondContact CA-OD1 3.41Å; S252-D291 WeakPolarHBondContact CB-OD2 3.23Å; S252-D291 PolarHBondContact OG-OD2 3.49Å; Q253-D291 WeakPolarHBondContact CG-OD1 3.41Å; Q253-D291 PolarHBondContact N-OD1 3.22Å; Q253-D291 PolarHBondContact N-OD2 3.08Å; A287-D291 PolarHBondContact O-N 3.21Å; M288-D291 PolarHBondContact O-N 3.15Å; D291-A293 VanDerWaalsContact C-N 3.35Å; D291-A293 PolarHBondContact O-N 3.06Å; D291-N294 CarbonylContact O-C 3.59Å; D291-N294 PolarHBondContact O-N 2.89Å; D291-N294 VanDerWaalsContact O-N 3.1Å; D291-G295 PolarHBondContact O-N 3.37Å; D291-G295 VanDerWaalsContact O-N 3.09Å; D291-I296 CarbonylContact C-O 3.54Å; D291-I296 HydrophobicContact CB-CG2 3.76Å; D291-I296 WeakPolarHBondContact CB-O 3.33Å; D291-I296 WeakPolarHBondContact O-CG2 3.44Å; D291-I296 PolarHBondContact O-N 3.25Å; D291-H305 IonicContact OD2-CE1 3.74Å; D291-H305 PolarHBondContact OD2-CE1 3.24Å; D291-H305 VanDerWaalsContact OD2-CE1 3.28Å; D291-H305 IonicContact OD2-NE2 3.28Å
292	Q	98	Very high	98.6	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-45.8	174.7	-174.4	-180	17.7	0	0	111.9	M288 M289 V290 N294 G295	M288-Q292 WeakPolarHBondContact O-CB 3.07Å; M288-Q292 PolarHBondContact O-N 3.39Å; M289-Q292 PolarHBondContact O-N 3.02Å; M289-Q292 PolarHBondContact SD-OE1 3.18Å; V290-Q292 PolarHBondContact O-N 3.19Å; Q292-N294 PolarHBondContact O-N 2.98Å; Q292-G295 PolarHBondContact O-N 2.96Å; Q292-G295 VanDerWaalsContact O-N 3.08Å
293	A	98.4	Very high	98.6	Very high	87 Å²	87	49.7 Å²	49.7	72%	0.719	29%	0.285	S	S	*	.	H	α-helix	trans	-64.4	-30	177.9	0	0	0	0	0	112.8	M289 V290 D291 G295	M289-A293 WeakPolarHBondContact O-CB 3.4Å; M289-A293 PolarHBondContact O-N 3.36Å; V290-A293 PolarHBondContact O-N 3.22Å; D291-A293 VanDerWaalsContact C-N 3.35Å; D291-A293 PolarHBondContact O-N 3.06Å; A293-G295 VanDerWaalsContact C-N 3.3Å
294	N	98.3	Very high	98.6	Very high	105 Å²	105	48.1 Å²	48.1	56%	0.561	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	3.8	175.4	-67.7	-27.8	0	0	0	113.4	V290 D291 Q292 I296	V290-N294 WeakPolarHBondContact O-CB 3.5Å; V290-N294 VanDerWaalsContact O-CG 3.32Å; V290-N294 PolarHBondContact O-N 3.11Å; V290-N294 PolarHBondContact O-ND2 3.36Å; D291-N294 CarbonylContact O-C 3.59Å; D291-N294 PolarHBondContact O-N 2.89Å; D291-N294 VanDerWaalsContact O-N 3.1Å; Q292-N294 PolarHBondContact O-N 2.98Å; N294-I296 VanDerWaalsContact C-N 3.32Å; N294-I296 HydrophobicContact CB-CG2 4.28Å; N294-I296 PolarHBondContact O-N 3.07Å
295	G	98.3	Very high	98.6	Very high	74 Å²	74	48.3 Å²	48.3	76%	0.763	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	28.5	179.2	0	0	0	0	0	114	D291 Q292 A293	D291-G295 PolarHBondContact O-N 3.37Å; D291-G295 VanDerWaalsContact O-N 3.09Å; Q292-G295 PolarHBondContact O-N 2.96Å; Q292-G295 VanDerWaalsContact O-N 3.08Å; A293-G295 VanDerWaalsContact C-N 3.3Å
296	I	98.5	Very high	98.6	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.133	27%	0.265	C	S	.	.			trans	-122.7	145.4	177.1	-169	164.4	0	0	0	110.4	R249 Q251 D291 N294	R249-I296 HydrophobicContact CB-CD1 4.15Å; Q251-I296 HydrophobicContact CB-CD1 4.07Å; D291-I296 CarbonylContact C-O 3.54Å; D291-I296 HydrophobicContact CB-CG2 3.76Å; D291-I296 WeakPolarHBondContact CB-O 3.33Å; D291-I296 WeakPolarHBondContact O-CG2 3.44Å; D291-I296 PolarHBondContact O-N 3.25Å; N294-I296 VanDerWaalsContact C-N 3.32Å; N294-I296 HydrophobicContact CB-CG2 4.28Å; N294-I296 PolarHBondContact O-N 3.07Å
297	E	98.8	Very high	98.6	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	24%	0.24	S	C	.	.			trans	-125.5	127.8	171.3	-176.3	175.2	98.8	0	0	107.3	R180 M186 R249 H301	R180-E297 IonicContact CZ-OE1 3.56Å; R180-E297 IonicContact CZ-OE2 2.73Å; R180-E297 VanDerWaalsContact CZ-OE2 3.3Å; R180-E297 IonicContact NH1-OE2 3.25Å; R180-E297 PolarHBondContact NH1-OE2 3.23Å; R180-E297 VanDerWaalsContact NH2-CD 3.26Å; R180-E297 IonicContact NH2-OE1 3.59Å; R180-E297 PolarHBondContact NH2-OE1 3.39Å; R180-E297 IonicContact NH2-OE2 3.77Å; R180-E297 PolarHBondContact NH2-OE2 2.77Å; M186-E297 HydrophobicContact CE-CG 4.25Å; M186-E297 WeakPolarHBondContact CE-OE2 3.48Å; M186-E297 HydrophobicContact SD-CG 4.19Å; R249-E297 PolarHBondContact NH2-O 2.71Å; E297-H301 IonicContact OE1-CD2 3.69Å; E297-H301 PolarHBondContact OE1-CD2 3.49Å; E297-H301 IonicContact OE1-NE2 2.66Å
298	A	98.6	Very high	98.6	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	24%	0.243	C	C	.	.			trans	-64.2	146.2	-175.7	0	0	0	0	0	112	E247 A254 W300 H301	E247-A298 WeakPolarHBondContact OE2-CA 3.44Å; A254-A298 HydrophobicContact CB-CB 3.96Å; A298-W300 VanDerWaalsContact C-N 3.28Å; A298-W300 PolarHBondContact O-N 3.49Å; A298-W300 VanDerWaalsContact O-N 3.13Å; A298-H301 PolarHBondContact O-N 3.45Å
299	V	98.6	Very high	98.7	Very high	68 Å²	68	43.3 Å²	43.3	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.3	-169.3	63.8	0	0	0	0	114.8	E247	E247-V299 HydrophobicContact CB-CG1 4.33Å; E247-V299 PolarHBondContact OE2-N 2.73Å
300	W	98.6	Very high	98.7	Very high	123 Å²	123	40.7 Å²	40.7	47%	0.466	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	36.8	173.6	-65.4	109.6	0	0	0	111.9	T245 Y264 A298 D302 E303 S304	T245-W300 VanDerWaalsContact CB-NE1 3.27Å; T245-W300 PolarHBondContact OG1-NE1 3.23Å; Y264-W300 VanDerWaalsContact OH-CD1 3.3Å; A298-W300 VanDerWaalsContact C-N 3.28Å; A298-W300 PolarHBondContact O-N 3.49Å; A298-W300 VanDerWaalsContact O-N 3.13Å; W300-D302 PolarHBondContact O-N 3.28Å; W300-E303 HydrophobicContact CB-CB 4.27Å; W300-E303 WeakPolarHBondContact O-CB 3.11Å; W300-E303 PolarHBondContact O-N 2.52Å; W300-S304 WeakPolarHBondContact CA-OG 3.36Å; W300-S304 WeakPolarHBondContact CB-OG 3.33Å; W300-S304 PolarHBondContact N-OG 3.29Å; W300-S304 PolarHBondContact O-N 3.4Å
301	H	98.6	Very high	98.7	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	53.8	-130.6	168.8	-43.3	94.8	0	0	0	111.9	W181 Q182 M186 E297 A298 E303 S304 H305	W181-H301 AromaticContact CH2-CE1 3.33Å; W181-H301 WeakPolarHBondContact CH2-CE1 3.47Å; W181-H301 AromaticContact CH2-ND1 3.77Å; W181-H301 AromaticContact CZ2-CE1 3.98Å; W181-H301 AromaticContact CZ3-CE1 3.98Å; Q182-H301 VanDerWaalsContact CG-CD2 3.45Å; Q182-H301 WeakPolarHBondContact CG-CD2 3.28Å; Q182-H301 WeakPolarHBondContact CG-NE2 3.47Å; M186-H301 HydrophobicContact CG-CB 3.7Å; M186-H301 HydrophobicContact SD-CB 4.06Å; E297-H301 IonicContact OE1-CD2 3.69Å; E297-H301 PolarHBondContact OE1-CD2 3.49Å; E297-H301 IonicContact OE1-NE2 2.66Å; A298-H301 PolarHBondContact O-N 3.45Å; H301-E303 VanDerWaalsContact C-N 3.28Å; H301-E303 PolarHBondContact O-N 3.21Å; H301-S304 WeakPolarHBondContact O-CB 3.37Å; H301-S304 PolarHBondContact O-N 2.89Å; H301-S304 VanDerWaalsContact O-N 3.17Å; H301-H305 PolarHBondContact O-CD2 3.03Å; H301-H305 VanDerWaalsContact O-CD2 3.3Å
302	D	98.5	Very high	98.7	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-31.1	178.3	51.2	-58.4	0	0	0	114.2	S185 R188 M189 M288 W300 S304 H305 L306	S185-D302 WeakPolarHBondContact CB-OD1 3.19Å; S185-D302 PolarHBondContact OG-OD1 2.95Å; S185-D302 PolarHBondContact OG-OD2 3.5Å; R188-D302 IonicContact CZ-OD2 2.85Å; R188-D302 IonicContact NE-OD2 3.8Å; R188-D302 IonicContact NH2-OD2 3.15Å; R188-D302 PolarHBondContact NH2-OD2 3.43Å; M189-D302 HydrophobicContact CE-CB 3.91Å; M189-D302 HydrophobicContact CG-CB 4.29Å; M288-D302 HydrophobicContact SD-CB 4.31Å; W300-D302 PolarHBondContact O-N 3.28Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 3.31Å; D302-H305 PolarHBondContact O-N 2.62Å; D302-L306 WeakPolarHBondContact O-CB 3.39Å; D302-L306 PolarHBondContact O-N 2.85Å
303	E	98.9	Very high	98.7	Very high	23 Å²	23	43.4 Å²	43.4	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-34.4	176.8	-178	174.3	96.1	0	0	111.7	H233 Y264 Y265 V266 G267 W300 H301 L306 N307	H233-E303 IonicContact CD2-OE2 3.52Å; Y264-E303 WeakPolarHBondContact CE1-OE1 3.32Å; Y264-E303 PolarHBondContact OH-OE1 2.84Å; Y265-E303 WeakPolarHBondContact O-CG 3.41Å; V266-E303 VanDerWaalsContact CA-OE2 3.31Å; V266-E303 WeakPolarHBondContact CA-OE2 3.4Å; G267-E303 PolarHBondContact N-OE2 2.98Å; W300-E303 HydrophobicContact CB-CB 4.27Å; W300-E303 WeakPolarHBondContact O-CB 3.11Å; W300-E303 PolarHBondContact O-N 2.52Å; H301-E303 VanDerWaalsContact C-N 3.28Å; H301-E303 PolarHBondContact O-N 3.21Å; E303-L306 PolarHBondContact O-N 2.93Å; E303-N307 PolarHBondContact O-N 3.15Å; E303-N307 PolarHBondContact O-ND2 3.36Å
304	S	98.9	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-43.6	175.3	-63.5	0	0	0	0	111.4	W300 H301 D302 N307 K308	W300-S304 WeakPolarHBondContact CA-OG 3.36Å; W300-S304 WeakPolarHBondContact CB-OG 3.33Å; W300-S304 PolarHBondContact N-OG 3.29Å; W300-S304 PolarHBondContact O-N 3.4Å; H301-S304 WeakPolarHBondContact O-CB 3.37Å; H301-S304 PolarHBondContact O-N 2.89Å; H301-S304 VanDerWaalsContact O-N 3.17Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 3.31Å; S304-N307 PolarHBondContact O-N 3.45Å; S304-K308 PolarHBondContact O-N 2.91Å; S304-K308 VanDerWaalsContact O-N 3.14Å
305	H	98.9	Very high	98.8	Very high	7 Å²	7	38 Å²	38	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-37.7	176.8	-66.5	-82.4	0	0	0	112.2	C284 A287 M288 D291 H301 D302 N307 K308 Y309	C284-H305 HydrophobicContact CB-CB 4.14Å; A287-H305 WeakPolarHBondContact CB-ND1 3.37Å; M288-H305 WeakPolarHBondContact CG-CD2 3.45Å; M288-H305 VanDerWaalsContact CG-NE2 3.32Å; M288-H305 WeakPolarHBondContact CG-NE2 3.43Å; D291-H305 IonicContact OD2-CE1 3.74Å; D291-H305 PolarHBondContact OD2-CE1 3.24Å; D291-H305 VanDerWaalsContact OD2-CE1 3.28Å; D291-H305 IonicContact OD2-NE2 3.28Å; H301-H305 PolarHBondContact O-CD2 3.03Å; H301-H305 VanDerWaalsContact O-CD2 3.3Å; D302-H305 PolarHBondContact O-N 2.62Å; H305-N307 PolarHBondContact O-N 3.23Å; H305-K308 PolarHBondContact O-N 2.73Å; H305-Y309 WeakPolarHBondContact O-CB 3.45Å; H305-Y309 PolarHBondContact O-N 3.09Å
306	L	98.9	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-49.5	173.4	174.2	64.8	0	0	0	111.3	V266 F270 L280 D302 E303 K308 Y309 L310	V266-L306 VanDerWaalsContact O-CD2 3.31Å; V266-L306 WeakPolarHBondContact O-CD2 3.26Å; F270-L306 HydrophobicContact CB-CD1 4.43Å; F270-L306 HydrophobicContact CD1-CD2 4.25Å; F270-L306 HydrophobicContact CG-CD1 4.4Å; L280-L306 HydrophobicContact CD1-CD1 3.76Å; L280-L306 HydrophobicContact CD2-CD1 4.08Å; L280-L306 HydrophobicContact CG-CD1 4.32Å; D302-L306 WeakPolarHBondContact O-CB 3.39Å; D302-L306 PolarHBondContact O-N 2.85Å; E303-L306 PolarHBondContact O-N 2.93Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.34Å; L306-Y309 PolarHBondContact O-N 2.85Å; L306-Y309 VanDerWaalsContact O-N 3.15Å; L306-L310 HydrophobicContact CD1-CD1 3.78Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 4.03Å; L306-L310 WeakPolarHBondContact O-CG 3.27Å; L306-L310 PolarHBondContact O-N 3.43Å
307	N	98.9	Very high	98.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-41.9	179.2	-84.5	-78.8	0	0	0	112.1	Y246 I256 Y265 E303 S304 H305 Y309 L310 L311	Y246-N307 HydrophobicContact CD1-CB 3.78Å; Y246-N307 HydrophobicContact CE1-CB 3.64Å; Y246-N307 WeakPolarHBondContact CE1-OD1 3.31Å; I256-N307 HydrophobicContact CD1-CB 4.26Å; Y265-N307 WeakPolarHBondContact CD2-OD1 3.31Å; Y265-N307 PolarHBondContact N-OD1 2.69Å; Y265-N307 PolarHBondContact O-ND2 3.02Å; E303-N307 PolarHBondContact O-N 3.15Å; E303-N307 PolarHBondContact O-ND2 3.36Å; S304-N307 PolarHBondContact O-N 3.45Å; H305-N307 PolarHBondContact O-N 3.23Å; N307-Y309 VanDerWaalsContact C-N 3.34Å; N307-Y309 PolarHBondContact O-N 2.86Å; N307-L310 PolarHBondContact O-N 2.87Å; N307-L311 WeakPolarHBondContact O-CB 3.24Å; N307-L311 PolarHBondContact O-N 3.39Å
308	K	98.9	Very high	98.8	Very high	49 Å²	49	34.4 Å²	34.4	21%	0.213	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-43.8	173.2	175.4	58.1	165.5	-77.6	0	111.8	Q253 Y255 I256 S304 H305 L306 R312	Q253-K308 WeakPolarHBondContact O-CG 3.47Å; Q253-K308 PolarHBondContact O-NZ 2.8Å; Y255-K308 PolarHBondContact O-NZ 2.83Å; I256-K308 HydrophobicContact CD1-CB 4.4Å; I256-K308 HydrophobicContact CG1-CD 4.2Å; S304-K308 PolarHBondContact O-N 2.91Å; S304-K308 VanDerWaalsContact O-N 3.14Å; H305-K308 PolarHBondContact O-N 2.73Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.34Å; K308-R312 HydrophobicContact CD-CG 4.43Å; K308-R312 WeakPolarHBondContact O-CG 3.22Å; K308-R312 PolarHBondContact O-N 2.81Å
309	Y	98.9	Very high	98.8	Very high	20 Å²	20	34.3 Å²	34.3	8%	0.078	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-50.2	178.9	-175.6	-89.3	0	0	0	111.2	L228 L280 A283 H305 L306 N307 L311 R312 H313	L228-Y309 HydrophobicContact CD2-CE1 4.08Å; L280-Y309 VanDerWaalsContact CA-CZ 3.46Å; L280-Y309 HydrophobicContact CB-CD1 3.96Å; L280-Y309 HydrophobicContact CB-CE1 3.58Å; L280-Y309 HydrophobicContact CB-CE2 4.44Å; L280-Y309 HydrophobicContact CD1-CD1 3.72Å; L280-Y309 HydrophobicContact CD1-CE1 3.9Å; L280-Y309 HydrophobicContact CG-CD1 3.61Å; L280-Y309 HydrophobicContact CG-CE1 3.78Å; L280-Y309 HydrophobicContact CG-CG 4.12Å; L280-Y309 PolarHBondContact N-OH 3.32Å; A283-Y309 HydrophobicContact CB-CD2 3.69Å; A283-Y309 HydrophobicContact CB-CE2 3.64Å; H305-Y309 WeakPolarHBondContact O-CB 3.45Å; H305-Y309 PolarHBondContact O-N 3.09Å; L306-Y309 PolarHBondContact O-N 2.85Å; L306-Y309 VanDerWaalsContact O-N 3.15Å; N307-Y309 VanDerWaalsContact C-N 3.34Å; N307-Y309 PolarHBondContact O-N 2.86Å; Y309-L311 VanDerWaalsContact C-N 3.32Å; Y309-L311 PolarHBondContact O-N 3.17Å; Y309-R312 CarbonylContact O-C 3.57Å; Y309-R312 PolarHBondContact O-N 2.98Å; Y309-H313 HydrophobicContact CD1-CB 4.15Å; Y309-H313 AromaticContact CD2-ND1 3.57Å; Y309-H313 HydrophobicContact CE1-CB 3.7Å; Y309-H313 AromaticContact CE1-CG 3.97Å; Y309-H313 AromaticContact CE1-ND1 3.99Å; Y309-H313 AromaticContact CE2-CE1 3.74Å; Y309-H313 AromaticContact CE2-CG 4Å; Y309-H313 AromaticContact CE2-ND1 3.45Å; Y309-H313 WeakPolarHBondContact CE2-ND1 3.16Å; Y309-H313 AromaticContact CG-ND1 3.9Å; Y309-H313 AromaticContact CZ-CG 3.75Å; Y309-H313 AromaticContact CZ-ND1 3.68Å; Y309-H313 PolarHBondContact O-N 3.34Å; Y309-H313 PolarHBondContact O-ND1 2.98Å; Y309-H313 VanDerWaalsContact O-ND1 3.14Å
310	L	98.9	Very high	98.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.3	-26.9	-177.6	-67.2	179.3	0	0	0	113.5	L228 Y265 L280 L306 N307 R312 H313 P315	L228-L310 HydrophobicContact CD1-CD2 4.3Å; L228-L310 HydrophobicContact CD2-CD2 3.86Å; L228-L310 HydrophobicContact CG-CD2 4.13Å; Y265-L310 HydrophobicContact CD1-CD1 4.05Å; Y265-L310 HydrophobicContact CD2-CB 3.8Å; Y265-L310 HydrophobicContact CD2-CD1 3.6Å; Y265-L310 HydrophobicContact CD2-CG 4.36Å; Y265-L310 HydrophobicContact CE1-CD1 4.47Å; Y265-L310 HydrophobicContact CE2-CB 3.68Å; Y265-L310 HydrophobicContact CE2-CD1 4.06Å; Y265-L310 HydrophobicContact CG-CD1 3.56Å; L280-L310 HydrophobicContact CD1-CD2 4.19Å; L306-L310 HydrophobicContact CD1-CD1 3.78Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 4.03Å; L306-L310 WeakPolarHBondContact O-CG 3.27Å; L306-L310 PolarHBondContact O-N 3.43Å; N307-L310 PolarHBondContact O-N 2.87Å; L310-R312 VanDerWaalsContact C-N 3.29Å; L310-R312 PolarHBondContact O-N 3.47Å; L310-H313 WeakPolarHBondContact CA-O 3.17Å; L310-H313 CarbonylContact O-C 3.44Å; L310-P315 HydrophobicContact CD2-CB 4.19Å; L310-P315 HydrophobicContact CD2-CG 4.42Å
311	L	98.9	Very high	98.9	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.073	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-38	169.3	173.4	64.4	0	0	0	111.5	I256 E260 N307 Y309 K314	I256-L311 HydrophobicContact CB-CD2 4.47Å; I256-L311 HydrophobicContact CD1-CD2 4.01Å; I256-L311 HydrophobicContact CG1-CD2 3.93Å; I256-L311 HydrophobicContact CG2-CD2 3.76Å; E260-L311 HydrophobicContact CB-CD2 4.33Å; N307-L311 WeakPolarHBondContact O-CB 3.24Å; N307-L311 PolarHBondContact O-N 3.39Å; Y309-L311 VanDerWaalsContact C-N 3.32Å; Y309-L311 PolarHBondContact O-N 3.17Å; L311-K314 WeakPolarHBondContact O-CE 3.42Å; L311-K314 PolarHBondContact O-NZ 3.11Å
312	R	98.8	Very high	98.9	Very high	132 Å²	132	24.3 Å²	24.3	50%	0.498	11%	0.109	S	C	.	.	H	α-helix	trans	-91.4	-25.4	-177.4	-60.1	-59.4	-179.7	-156.3	-8.4	113.3	E260 K308 Y309 L310	E260-R312 IonicContact OE1-NH2 3.19Å; E260-R312 IonicContact OE2-CZ 2.89Å; E260-R312 VanDerWaalsContact OE2-CZ 3.28Å; E260-R312 IonicContact OE2-NH1 2.72Å; E260-R312 PolarHBondContact OE2-NH1 3.29Å; E260-R312 VanDerWaalsContact OE2-NH1 3.14Å; E260-R312 IonicContact OE2-NH2 3.28Å; E260-R312 PolarHBondContact OE2-NH2 2.87Å; K308-R312 HydrophobicContact CD-CG 4.43Å; K308-R312 WeakPolarHBondContact O-CG 3.22Å; K308-R312 PolarHBondContact O-N 2.81Å; Y309-R312 CarbonylContact O-C 3.57Å; Y309-R312 PolarHBondContact O-N 2.98Å; L310-R312 VanDerWaalsContact C-N 3.29Å; L310-R312 PolarHBondContact O-N 3.47Å
313	H	98.8	Very high	98.9	Very high	93 Å²	93	24 Å²	24	43%	0.431	11%	0.108	S	C	.	.	S	Bend	trans	-125.8	89.9	179.2	-52.6	90	0	0	0	107.9	Y309 L310	Y309-H313 HydrophobicContact CD1-CB 4.15Å; Y309-H313 AromaticContact CD2-ND1 3.57Å; Y309-H313 HydrophobicContact CE1-CB 3.7Å; Y309-H313 AromaticContact CE1-CG 3.97Å; Y309-H313 AromaticContact CE1-ND1 3.99Å; Y309-H313 AromaticContact CE2-CE1 3.74Å; Y309-H313 AromaticContact CE2-CG 4Å; Y309-H313 AromaticContact CE2-ND1 3.45Å; Y309-H313 WeakPolarHBondContact CE2-ND1 3.16Å; Y309-H313 AromaticContact CG-ND1 3.9Å; Y309-H313 AromaticContact CZ-CG 3.75Å; Y309-H313 AromaticContact CZ-ND1 3.68Å; Y309-H313 PolarHBondContact O-N 3.34Å; Y309-H313 PolarHBondContact O-ND1 2.98Å; Y309-H313 VanDerWaalsContact O-ND1 3.14Å; L310-H313 WeakPolarHBondContact CA-O 3.17Å; L310-H313 CarbonylContact O-C 3.44Å
314	K	98.9	Very high	98.9	Very high	78 Å²	78	23.6 Å²	23.6	34%	0.339	11%	0.106	S	C	.	.			trans	-60.2	128.2	-170.3	-59.6	-53.6	-169.7	-169.3	0	110.7	W90 D262 L311	W90-K314 HydrophobicContact CD2-CB 4.03Å; W90-K314 HydrophobicContact CD2-CD 4.23Å; W90-K314 HydrophobicContact CD2-CG 4.12Å; W90-K314 HydrophobicContact CE3-CD 4.2Å; W90-K314 HydrophobicContact CE3-CG 4.49Å; W90-K314 HydrophobicContact CG-CB 3.96Å; W90-K314 HydrophobicContact CG-CG 4.19Å; W90-K314 HydrophobicContact CH2-CD 4.46Å; W90-K314 HydrophobicContact CZ2-CB 4.49Å; W90-K314 HydrophobicContact CZ3-CD 4.33Å; D262-K314 IonicContact OD1-NZ 3.46Å; D262-K314 PolarHBondContact OD1-NZ 2.9Å; D262-K314 IonicContact OD2-NZ 2.7Å; D262-K314 PolarHBondContact OD2-NZ 3.04Å; L311-K314 WeakPolarHBondContact O-CE 3.42Å; L311-K314 PolarHBondContact O-NZ 3.11Å
315	P	98.9	Very high	98.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.			trans	-68.4	140.8	178	29	-35	0	0	0	110.7	W90 A92 L228 Y265 L310 K317 V318	W90-P315 HydrophobicContact CZ2-CG 4.09Å; W90-P315 PolarHBondContact NE1-O 2.72Å; A92-P315 WeakPolarHBondContact CB-O 3.13Å; L228-P315 HydrophobicContact CG-CB 4.31Å; L228-P315 CarbonylContact O-C 3.55Å; Y265-P315 HydrophobicContact CE1-CG 4.26Å; L310-P315 HydrophobicContact CD2-CB 4.19Å; L310-P315 HydrophobicContact CD2-CG 4.42Å; P315-K317 VanDerWaalsContact C-N 3.34Å; P315-K317 WeakPolarHBondContact CB-O 3.33Å; P315-V318 HydrophobicContact CG-CG2 3.8Å
316	T	98.9	Very high	98.9	Very high	55 Å²	55	25.1 Å²	25.1	34%	0.337	11%	0.114	S	C	.	.	S	Bend	trans	-76.3	-16.6	179.9	53.5	0	0	0	0	114.3	A92 P93 T226 P227 L228	A92-T316 VanDerWaalsContact CB-C 3.48Å; A92-T316 VanDerWaalsContact CB-O 3.23Å; A92-T316 WeakPolarHBondContact CB-O 3.44Å; P93-T316 WeakPolarHBondContact CD-O 3.2Å; T226-T316 WeakPolarHBondContact CB-OG1 3.35Å; T226-T316 VanDerWaalsContact CG2-OG1 3.26Å; T226-T316 WeakPolarHBondContact CG2-OG1 3.42Å; T226-T316 WeakPolarHBondContact OG1-CB 3.31Å; T226-T316 PolarHBondContact OG1-OG1 3.04Å; P227-T316 HydrophobicContact CB-CG2 4.29Å; P227-T316 WeakPolarHBondContact CD-OG1 3.36Å; P227-T316 HydrophobicContact CG-CG2 4.47Å; L228-T316 PolarHBondContact N-OG1 3.35Å; L228-T316 PolarHBondContact O-N 3.46Å; L228-T316 PolarHBondContact O-OG1 3.19Å
317	K	98.9	Very high	98.8	Very high	32 Å²	32	28.4 Å²	28.4	14%	0.139	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.2	160	-68.7	179.8	-177.5	169.3	0	109.4	P93 V95 E223 L225 T226 L228 F229 P315	P93-K317 HydrophobicContact CG-CG 4.42Å; P93-K317 WeakPolarHBondContact O-CA 3.15Å; V95-K317 HydrophobicContact CG2-CB 4.4Å; V95-K317 HydrophobicContact CG2-CD 4.14Å; E223-K317 WeakPolarHBondContact O-CD 3.46Å; E223-K317 PolarHBondContact O-NZ 3.44Å; L225-K317 WeakPolarHBondContact O-CE 3.47Å; L225-K317 PolarHBondContact O-NZ 3.02Å; T226-K317 HydrophobicContact CG2-CB 3.7Å; T226-K317 HydrophobicContact CG2-CD 3.99Å; T226-K317 HydrophobicContact CG2-CG 3.79Å; L228-K317 PolarHBondContact O-N 3.17Å; F229-K317 VanDerWaalsContact CA-O 3.22Å; F229-K317 WeakPolarHBondContact CA-O 3.42Å; F229-K317 HydrophobicContact CB-CB 4.29Å; F229-K317 VanDerWaalsContact CB-O 3.29Å; F229-K317 WeakPolarHBondContact CB-O 3.42Å; P315-K317 VanDerWaalsContact C-N 3.34Å; P315-K317 WeakPolarHBondContact CB-O 3.33Å
318	V	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.8	169.6	177.2	0	0	0	0	108.1	T88 W90 P93 I94 V95 G230 L232 Y265 P315	T88-V318 HydrophobicContact CG2-CG2 3.89Å; W90-V318 HydrophobicContact CZ2-CG2 4.23Å; P93-V318 PolarHBondContact O-N 3.39Å; I94-V318 CarbonylContact C-O 3.57Å; I94-V318 WeakPolarHBondContact CA-O 3.45Å; I94-V318 HydrophobicContact CG1-CB 4.27Å; I94-V318 HydrophobicContact CG2-CB 4.38Å; I94-V318 HydrophobicContact CG2-CG1 4.3Å; V95-V318 PolarHBondContact N-O 3.47Å; G230-V318 CarbonylContact O-C 3.49Å; G230-V318 WeakPolarHBondContact O-CA 3.44Å; L232-V318 HydrophobicContact CD1-CG1 4.35Å; L232-V318 HydrophobicContact CD2-CG1 3.65Å; L232-V318 HydrophobicContact CG-CG1 3.67Å; Y265-V318 HydrophobicContact CE1-CG1 4Å; Y265-V318 HydrophobicContact CE1-CG2 4.06Å; P315-V318 HydrophobicContact CG-CG2 3.8Å
319	L	98.9	Very high	98.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.3	176.2	-51.6	-171.7	0	0	0	109.9	V95 I224 F229 G230 T231 L232 F269 Y323	V95-L319 HydrophobicContact CB-CD2 3.92Å; V95-L319 HydrophobicContact CG2-CD2 3.76Å; I224-L319 HydrophobicContact CB-CD1 3.94Å; I224-L319 HydrophobicContact CB-CD2 3.77Å; I224-L319 HydrophobicContact CG2-CD1 3.86Å; I224-L319 HydrophobicContact CG2-CD2 3.78Å; F229-L319 HydrophobicContact CD2-CD1 3.65Å; F229-L319 HydrophobicContact CD2-CG 3.83Å; F229-L319 HydrophobicContact CE2-CD1 3.64Å; F229-L319 HydrophobicContact CE2-CG 4.34Å; F229-L319 HydrophobicContact CG-CG 4.48Å; G230-L319 PolarHBondContact O-N 2.88Å; T231-L319 HydrophobicContact CG2-CB 3.94Å; L232-L319 WeakPolarHBondContact CG-O 3.11Å; L232-L319 PolarHBondContact N-O 2.89Å; F269-L319 HydrophobicContact CD1-CD1 4.36Å; F269-L319 HydrophobicContact CE1-CD1 3.94Å; F269-L319 HydrophobicContact CZ-CD1 4.09Å; L319-Y323 HydrophobicContact CB-CD2 3.94Å; L319-Y323 HydrophobicContact CB-CG 4.03Å; L319-Y323 HydrophobicContact CD1-CD1 4.2Å; L319-Y323 HydrophobicContact CD1-CG 4.08Å
320	S	98.9	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.			trans	-67.9	168	173.1	65.8	0	0	0	0	112.2	V95 E322 Y323	V95-S320 WeakPolarHBondContact O-CB 3.37Å; V95-S320 PolarHBondContact O-N 3.31Å; V95-S320 VanDerWaalsContact O-N 3.16Å; V95-S320 PolarHBondContact O-OG 2.63Å; S320-E322 PolarHBondContact O-N 2.81Å; S320-E322 WeakPolarHBondContact OG-CB 3.46Å; S320-E322 WeakPolarHBondContact OG-CG 3.17Å; S320-E322 PolarHBondContact OG-N 2.78Å; S320-Y323 PolarHBondContact O-N 3.11Å
321	P	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63	-7.3	173.5	-19.9	33	0	0	0	114.4	W96 L232 P234 Y237 Y323 L324 W325 L336	W96-P321 VanDerWaalsContact CH2-CD 3.49Å; W96-P321 HydrophobicContact CH2-CG 4.37Å; L232-P321 HydrophobicContact CB-CG 4.1Å; P234-P321 HydrophobicContact CB-CB 4.4Å; Y237-P321 HydrophobicContact CD1-CB 4.36Å; Y237-P321 HydrophobicContact CD1-CG 3.65Å; Y237-P321 HydrophobicContact CD2-CG 4.21Å; Y237-P321 HydrophobicContact CE1-CG 4.37Å; Y237-P321 HydrophobicContact CG-CG 3.56Å; P321-Y323 PolarHBondContact O-N 3.21Å; P321-L324 CarbonylContact O-C 3.52Å; P321-L324 VanDerWaalsContact O-C 3.28Å; P321-L324 PolarHBondContact O-N 3.18Å; P321-W325 HydrophobicContact CB-CE3 3.57Å; P321-W325 HydrophobicContact CB-CZ3 3.61Å; P321-L336 HydrophobicContact CB-CD2 4.17Å
322	E	98.9	Very high	98.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29	168.9	-60	-178.4	171.6	0	0	111.4	R81 W96 E97 S320 L336 K338 R340	R81-E322 IonicContact NH1-OE1 3.76Å; W96-E322 HydrophobicContact CE3-CG 4.12Å; W96-E322 HydrophobicContact CZ3-CG 4.38Å; E97-E322 WeakPolarHBondContact CB-OE1 3.34Å; E97-E322 WeakPolarHBondContact CB-OE2 3.14Å; E97-E322 PolarHBondContact N-OE1 2.81Å; E97-E322 PolarHBondContact N-OE2 3.43Å; S320-E322 PolarHBondContact O-N 2.81Å; S320-E322 WeakPolarHBondContact OG-CB 3.46Å; S320-E322 WeakPolarHBondContact OG-CG 3.17Å; S320-E322 PolarHBondContact OG-N 2.78Å; E322-L336 HydrophobicContact CG-CD2 3.96Å; E322-K338 WeakPolarHBondContact CB-O 3.39Å; E322-K338 WeakPolarHBondContact CG-O 3.48Å; E322-R340 HydrophobicContact CB-CG 4.28Å; E322-R340 WeakPolarHBondContact O-CA 3.49Å; E322-R340 VanDerWaalsContact O-CB 3.22Å; E322-R340 WeakPolarHBondContact O-CB 3.27Å; E322-R340 WeakPolarHBondContact O-CG 3.23Å; E322-R340 PolarHBondContact O-N 3.5Å; E322-R340 IonicContact OE2-CZ 3.47Å; E322-R340 IonicContact OE2-NE 2.64Å; E322-R340 PolarHBondContact OE2-NE 3.2Å; E322-R340 VanDerWaalsContact OE2-NE 3.15Å; E322-R340 IonicContact OE2-NH2 3.84Å; E322-R340 PolarHBondContact OE2-NH2 2.82Å
323	Y	98.9	Very high	98.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-90.6	-6.4	-178.2	-67.2	-91.5	0	0	0	113.8	V95 V220 E223 I224 F269 L319 S320 P321 R340 F341	V95-Y323 HydrophobicContact CB-CE2 4.21Å; V95-Y323 HydrophobicContact CG1-CE2 3.81Å; V95-Y323 WeakPolarHBondContact CG1-OH 3.34Å; V220-Y323 HydrophobicContact CG1-CD1 4.17Å; V220-Y323 HydrophobicContact CG1-CE1 4.26Å; V220-Y323 HydrophobicContact CG2-CD1 4.16Å; V220-Y323 HydrophobicContact CG2-CE1 4.37Å; E223-Y323 WeakPolarHBondContact CG-OH 3.46Å; E223-Y323 WeakPolarHBondContact OE1-CE1 3.31Å; E223-Y323 PolarHBondContact OE1-OH 3.22Å; I224-Y323 HydrophobicContact CG2-CD1 3.83Å; I224-Y323 HydrophobicContact CG2-CE1 3.35Å; F269-Y323 WeakPolarHBondContact CD2-O 3.41Å; F269-Y323 WeakPolarHBondContact CE2-O 3.37Å; L319-Y323 HydrophobicContact CB-CD2 3.94Å; L319-Y323 HydrophobicContact CB-CG 4.03Å; L319-Y323 HydrophobicContact CD1-CD1 4.2Å; L319-Y323 HydrophobicContact CD1-CG 4.08Å; S320-Y323 PolarHBondContact O-N 3.11Å; P321-Y323 PolarHBondContact O-N 3.21Å; Y323-R340 VanDerWaalsContact CE1-CD 3.43Å; Y323-R340 VanDerWaalsContact CZ-CD 3.43Å; Y323-F341 WeakPolarHBondContact O-CB 3.22Å; Y323-F341 WeakPolarHBondContact O-CD1 3.49Å
324	L	98.6	Very high	98.3	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.068	24%	0.243	C	C	.	.	S	Bend	trans	-156.6	111.8	168.1	-170.4	138.2	0	0	0	109.7	M214 T231 P234 V266 A268 F269 P321 F341	M214-L324 HydrophobicContact CE-CD1 3.94Å; M214-L324 HydrophobicContact CE-CG 3.77Å; T231-L324 HydrophobicContact CG2-CB 3.94Å; P234-L324 WeakPolarHBondContact CB-O 3.46Å; P234-L324 HydrophobicContact CG-CD2 3.81Å; V266-L324 HydrophobicContact CB-CD2 4.42Å; V266-L324 HydrophobicContact CG1-CB 4.34Å; V266-L324 HydrophobicContact CG1-CD1 3.8Å; V266-L324 HydrophobicContact CG1-CD2 4.14Å; V266-L324 HydrophobicContact CG1-CG 4.29Å; V266-L324 HydrophobicContact CG2-CD1 4.16Å; V266-L324 HydrophobicContact CG2-CD2 3.9Å; A268-L324 HydrophobicContact CB-CD1 3.46Å; A268-L324 VanDerWaalsContact CB-CD1 3.46Å; F269-L324 HydrophobicContact CB-CD1 3.89Å; P321-L324 CarbonylContact O-C 3.52Å; P321-L324 VanDerWaalsContact O-C 3.28Å; P321-L324 PolarHBondContact O-N 3.18Å; L324-F341 WeakPolarHBondContact CA-O 3.36Å
325	W	98.7	Very high	98.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.015	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-139.1	149.2	-173.9	-163.5	-107.8	0	0	0	113.7	P234 Y237 P321 L330 G331 P333 L336 L339 F341 T342 A343	P234-W325 HydrophobicContact CB-CD2 4.22Å; P234-W325 HydrophobicContact CB-CE3 3.33Å; P234-W325 HydrophobicContact CB-CH2 4.45Å; P234-W325 HydrophobicContact CB-CZ3 3.46Å; P234-W325 VanDerWaalsContact CB-CZ3 3.46Å; Y237-W325 HydrophobicContact CD1-CZ3 4.29Å; Y237-W325 AromaticContact CE1-CH2 3.76Å; Y237-W325 HydrophobicContact CE1-CH2 3.76Å; Y237-W325 AromaticContact CE1-CZ3 3.71Å; Y237-W325 HydrophobicContact CE1-CZ3 3.71Å; P321-W325 HydrophobicContact CB-CE3 3.57Å; P321-W325 HydrophobicContact CB-CZ3 3.61Å; W325-L330 HydrophobicContact CE3-CD1 4.44Å; W325-L330 HydrophobicContact CH2-CB 3.89Å; W325-L330 HydrophobicContact CH2-CD1 3.93Å; W325-L330 HydrophobicContact CZ2-CB 3.34Å; W325-L330 HydrophobicContact CZ2-CD1 4.08Å; W325-L330 HydrophobicContact CZ2-CG 4.36Å; W325-L330 HydrophobicContact CZ3-CD1 4.13Å; W325-G331 PolarHBondContact NE1-O 3.18Å; W325-P333 HydrophobicContact CH2-CG 3.95Å; W325-P333 VanDerWaalsContact CZ2-CD 3.46Å; W325-P333 HydrophobicContact CZ2-CG 3.73Å; W325-L336 HydrophobicContact CD2-CD1 3.35Å; W325-L336 HydrophobicContact CE3-CD1 3.47Å; W325-L336 VanDerWaalsContact CE3-CD1 3.47Å; W325-L336 HydrophobicContact CG-CD1 4.06Å; W325-L336 HydrophobicContact CH2-CD1 3.68Å; W325-L336 HydrophobicContact CZ2-CD1 3.53Å; W325-L336 HydrophobicContact CZ3-CD1 3.65Å; W325-L339 HydrophobicContact CB-CD2 4.19Å; W325-L339 HydrophobicContact CD2-CD2 4.36Å; W325-L339 HydrophobicContact CG-CD2 3.75Å; W325-F341 PolarHBondContact N-O 3.08Å; W325-T342 HydrophobicContact CB-CG2 4.31Å; W325-T342 CarbonylContact O-C 3.53Å; W325-T342 WeakPolarHBondContact O-CA 3.42Å; W325-A343 PolarHBondContact O-N 3.41Å
326	D	98.3	Very high	98.3	Very high	36 Å²	36	43 Å²	43	19%	0.193	24%	0.236	C	C	.	.			trans	-116.1	98.7	168.3	-171.3	-37.3	0	0	0	108.8	Q328 L329 L330 A343	D326-Q328 VanDerWaalsContact C-N 3.27Å; D326-Q328 PolarHBondContact O-N 3Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.39Å; D326-Q328 PolarHBondContact OD1-N 3.4Å; D326-L329 HydrophobicContact CB-CB 4.31Å; D326-L329 PolarHBondContact O-N 3.31Å; D326-L329 PolarHBondContact OD1-N 3Å; D326-L329 WeakPolarHBondContact OD2-CD1 3.37Å; D326-L330 VanDerWaalsContact O-CB 3.31Å; D326-L330 WeakPolarHBondContact O-CB 3.42Å; D326-L330 PolarHBondContact O-N 2.9Å; D326-A343 HydrophobicContact CB-CB 4.15Å
327	Q	97.5	Very high	98.3	Very high	70 Å²	70	46.6 Å²	46.6	33%	0.327	24%	0.244	S	C	.	.	H	α-helix	trans	-68.8	-29	-178.1	-168.9	-177.3	11.8	0	0	112.1	G331 L339	Q327-G331 VanDerWaalsContact O-CA 3.28Å; Q327-G331 WeakPolarHBondContact O-CA 3.23Å; Q327-G331 PolarHBondContact O-N 2.98Å; Q327-L339 HydrophobicContact CB-CD1 4.36Å; Q327-L339 HydrophobicContact CG-CD1 4.16Å
328	Q	96.4	Very high	98.3	Very high	145 Å²	145	47.5 Å²	47.5	68%	0.678	25%	0.248	S	C	*	.	H	α-helix	trans	-68.9	-40.9	-179.2	-177.4	178.1	1.5	0	0	110.7	D326	D326-Q328 VanDerWaalsContact C-N 3.27Å; D326-Q328 PolarHBondContact O-N 3Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.39Å; D326-Q328 PolarHBondContact OD1-N 3.4Å
329	L	96.2	Very high	98.3	Very high	135 Å²	135	47.9 Å²	47.9	71%	0.707	25%	0.25	S	C	*	.	H	α-helix	trans	-85.8	-33.5	-178.8	-64.5	-178.2	0	0	0	113.4	D326	D326-L329 HydrophobicContact CB-CB 4.31Å; D326-L329 PolarHBondContact O-N 3.31Å; D326-L329 PolarHBondContact OD1-N 3Å; D326-L329 WeakPolarHBondContact OD2-CD1 3.37Å
330	L	97.9	Very high	98.3	Very high	62 Å²	62	48 Å²	48	33%	0.325	25%	0.25	S	C	.	.	H	α-helix	trans	-117.7	-0.9	-167	-55.4	171	0	0	0	113.7	P234 W325 D326	P234-L330 HydrophobicContact CB-CD1 3.57Å; P234-L330 HydrophobicContact CG-CD1 4.1Å; W325-L330 HydrophobicContact CE3-CD1 4.44Å; W325-L330 HydrophobicContact CH2-CB 3.89Å; W325-L330 HydrophobicContact CH2-CD1 3.93Å; W325-L330 HydrophobicContact CZ2-CB 3.34Å; W325-L330 HydrophobicContact CZ2-CD1 4.08Å; W325-L330 HydrophobicContact CZ2-CG 4.36Å; W325-L330 HydrophobicContact CZ3-CD1 4.13Å; D326-L330 VanDerWaalsContact O-CB 3.31Å; D326-L330 WeakPolarHBondContact O-CB 3.42Å; D326-L330 PolarHBondContact O-N 2.9Å
331	G	98.1	Very high	98.3	Very high	33 Å²	33	48 Å²	48	34%	0.34	25%	0.25	S	C	.	.			trans	65	-148.8	-177.6	0	0	0	0	0	112.4	W325 Q327	W325-G331 PolarHBondContact NE1-O 3.18Å; Q327-G331 VanDerWaalsContact O-CA 3.28Å; Q327-G331 WeakPolarHBondContact O-CA 3.23Å; Q327-G331 PolarHBondContact O-N 2.98Å
332	W	98.4	Very high	98.3	Very high	146 Å²	146	48 Å²	48	55%	0.553	25%	0.25	S	S	*	.			trans	-133.5	86.4	174.7	-169.1	-17.1	0	0	0	109.9	L336 L339	W332-L336 PolarHBondContact NE1-O 2.96Å; W332-L339 HydrophobicContact CB-CD1 4.36Å; W332-L339 HydrophobicContact CD2-CD1 3.59Å; W332-L339 HydrophobicContact CD2-CG 3.87Å; W332-L339 HydrophobicContact CE3-CD1 3.75Å; W332-L339 HydrophobicContact CE3-CG 4.33Å; W332-L339 HydrophobicContact CG-CD1 3.87Å; W332-L339 HydrophobicContact CG-CD2 4.45Å; W332-L339 HydrophobicContact CG-CG 4.22Å; W332-L339 HydrophobicContact CZ2-CG 4.07Å; W332-L339 HydrophobicContact CZ3-CD1 4.28Å
333	P	98.1	Very high	98.2	Very high	40 Å²	40	48.8 Å²	48.8	26%	0.26	26%	0.257	S	S	.	.			trans	-70.5	148.7	-179.8	27.9	-33.7	0	0	0	111.6	W325 V335 L336	W325-P333 HydrophobicContact CH2-CG 3.95Å; W325-P333 VanDerWaalsContact CZ2-CD 3.46Å; W325-P333 HydrophobicContact CZ2-CG 3.73Å; P333-V335 HydrophobicContact CB-CG1 4.2Å; P333-V335 HydrophobicContact CG-CG1 4.14Å; P333-V335 PolarHBondContact O-N 2.64Å; P333-L336 HydrophobicContact CG-CD1 3.96Å; P333-L336 HydrophobicContact CG-CG 4.05Å; P333-L336 PolarHBondContact O-N 2.75Å
334	A	98.1	Very high	98.2	Very high	100 Å²	100	49.9 Å²	49.9	83%	0.826	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	-174.5	0	0	0	0	0	114.8	L336	A334-L336 PolarHBondContact O-N 3.39Å
335	V	98.4	Very high	97.9	Very high	29 Å²	29	53.4 Å²	53.4	18%	0.176	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.2	175.5	70.8	0	0	0	0	112.5	R81 V84 W96 Y237 P333	R81-V335 PolarHBondContact NH2-O 3.41Å; V84-V335 HydrophobicContact CG1-CG2 3.21Å; W96-V335 HydrophobicContact CH2-CG2 4.35Å; W96-V335 HydrophobicContact CZ3-CG2 4.22Å; Y237-V335 HydrophobicContact CE2-CG1 4.19Å; P333-V335 HydrophobicContact CB-CG1 4.2Å; P333-V335 HydrophobicContact CG-CG1 4.14Å; P333-V335 PolarHBondContact O-N 2.64Å
336	L	98.7	Very high	97.7	Very high	3 Å²	3	56 Å²	56	2%	0.016	30%	0.298	C	S	.	.			trans	-90.6	104.6	176.3	-55.1	-178.3	0	0	0	109.1	W96 P321 E322 W325 W332 P333 A334 K338 L339	W96-L336 HydrophobicContact CH2-CD2 4.45Å; W96-L336 HydrophobicContact CZ3-CD2 3.81Å; P321-L336 HydrophobicContact CB-CD2 4.17Å; E322-L336 HydrophobicContact CG-CD2 3.96Å; W325-L336 HydrophobicContact CD2-CD1 3.35Å; W325-L336 HydrophobicContact CE3-CD1 3.47Å; W325-L336 VanDerWaalsContact CE3-CD1 3.47Å; W325-L336 HydrophobicContact CG-CD1 4.06Å; W325-L336 HydrophobicContact CH2-CD1 3.68Å; W325-L336 HydrophobicContact CZ2-CD1 3.53Å; W325-L336 HydrophobicContact CZ3-CD1 3.65Å; W332-L336 PolarHBondContact NE1-O 2.96Å; P333-L336 HydrophobicContact CG-CD1 3.96Å; P333-L336 HydrophobicContact CG-CG 4.05Å; P333-L336 PolarHBondContact O-N 2.75Å; A334-L336 PolarHBondContact O-N 3.39Å; L336-K338 VanDerWaalsContact C-N 3.27Å; L336-L339 HydrophobicContact CB-CD2 4.06Å; L336-L339 HydrophobicContact CD1-CD2 3.55Å; L336-L339 HydrophobicContact CG-CD2 4.44Å
337	R	98.7	Very high	97.5	Very high	131 Å²	131	59.2 Å²	59.2	49%	0.494	32%	0.316	S	S	.	.	S	Bend	trans	-75.7	-23.6	176.2	-63.5	-177.8	178.3	-179.3	-0.3	112	E97	E97-R337 HydrophobicContact CB-CB 3.89Å; E97-R337 HydrophobicContact CG-CB 3.96Å
338	K	98.8	Very high	96.9	Very high	51 Å²	51	60.2 Å²	60.2	22%	0.222	32%	0.32	C	S	.	.			trans	-139.4	148	178.6	-70.2	178.8	169.6	-87.4	0	110.5	E97 D218 E322 L336 R340	E97-K338 HydrophobicContact CB-CD 4.45Å; E97-K338 VanDerWaalsContact CD-CE 3.48Å; E97-K338 HydrophobicContact CG-CD 4.02Å; E97-K338 HydrophobicContact CG-CG 4.29Å; E97-K338 WeakPolarHBondContact OE2-CD 3.15Å; E97-K338 WeakPolarHBondContact OE2-CE 3.25Å; D218-K338 IonicContact OD1-NZ 3.94Å; D218-K338 PolarHBondContact OD1-NZ 3.49Å; D218-K338 WeakPolarHBondContact OD2-CD 3.21Å; D218-K338 WeakPolarHBondContact OD2-CG 3.39Å; D218-K338 IonicContact OD2-NZ 3.32Å; D218-K338 PolarHBondContact OD2-NZ 2.73Å; E322-K338 WeakPolarHBondContact CB-O 3.39Å; E322-K338 WeakPolarHBondContact CG-O 3.48Å; L336-K338 VanDerWaalsContact C-N 3.27Å; K338-R340 HydrophobicContact CB-CG 4.11Å
339	L	98.8	Very high	96.4	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	32%	0.318	C	S	.	.			trans	-112.5	102.1	166.4	-58.1	-175.6	0	0	0	107	R217 W325 Q327 W332 L336 T342	R217-L339 WeakPolarHBondContact CB-O 3.5Å; W325-L339 HydrophobicContact CB-CD2 4.19Å; W325-L339 HydrophobicContact CD2-CD2 4.36Å; W325-L339 HydrophobicContact CG-CD2 3.75Å; Q327-L339 HydrophobicContact CB-CD1 4.36Å; Q327-L339 HydrophobicContact CG-CD1 4.16Å; W332-L339 HydrophobicContact CB-CD1 4.36Å; W332-L339 HydrophobicContact CD2-CD1 3.59Å; W332-L339 HydrophobicContact CD2-CG 3.87Å; W332-L339 HydrophobicContact CE3-CD1 3.75Å; W332-L339 HydrophobicContact CE3-CG 4.33Å; W332-L339 HydrophobicContact CG-CD1 3.87Å; W332-L339 HydrophobicContact CG-CD2 4.45Å; W332-L339 HydrophobicContact CG-CG 4.22Å; W332-L339 HydrophobicContact CZ2-CG 4.07Å; W332-L339 HydrophobicContact CZ3-CD1 4.28Å; L336-L339 HydrophobicContact CB-CD2 4.06Å; L336-L339 HydrophobicContact CD1-CD2 3.55Å; L336-L339 HydrophobicContact CG-CD2 4.44Å; L339-T342 HydrophobicContact CB-CG2 3.91Å
340	R	98.8	Very high	96.1	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	31%	0.306	C	S	.	.			trans	-92.3	-39.4	-166.8	-52.4	168.7	-176.5	-81.7	-0.3	112.3	E97 F216 R217 D218 H219 V220 E322 Y323 K338	E97-R340 IonicContact OE2-CZ 3.48Å; E97-R340 IonicContact OE2-NH1 3.49Å; E97-R340 IonicContact OE2-NH2 2.91Å; E97-R340 PolarHBondContact OE2-NH2 2.98Å; F216-R340 CarbonylContact C-O 3.4Å; F216-R340 WeakPolarHBondContact CA-O 3.28Å; R217-R340 PolarHBondContact N-O 2.88Å; D218-R340 HydrophobicContact CB-CB 4.41Å; D218-R340 HydrophobicContact CB-CG 4.26Å; D218-R340 PolarHBondContact N-O 2.85Å; H219-R340 WeakPolarHBondContact O-CD 3.48Å; H219-R340 PolarHBondContact O-NH1 3.4Å; V220-R340 HydrophobicContact CG2-CB 3.67Å; E322-R340 HydrophobicContact CB-CG 4.28Å; E322-R340 WeakPolarHBondContact O-CA 3.49Å; E322-R340 VanDerWaalsContact O-CB 3.22Å; E322-R340 WeakPolarHBondContact O-CB 3.27Å; E322-R340 WeakPolarHBondContact O-CG 3.23Å; E322-R340 PolarHBondContact O-N 3.5Å; E322-R340 IonicContact OE2-CZ 3.47Å; E322-R340 IonicContact OE2-NE 2.64Å; E322-R340 PolarHBondContact OE2-NE 3.2Å; E322-R340 VanDerWaalsContact OE2-NE 3.15Å; E322-R340 IonicContact OE2-NH2 3.84Å; E322-R340 PolarHBondContact OE2-NH2 2.82Å; Y323-R340 VanDerWaalsContact CE1-CD 3.43Å; Y323-R340 VanDerWaalsContact CZ-CD 3.43Å; K338-R340 HydrophobicContact CB-CG 4.11Å
341	F	98.8	Very high	95.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	118.1	-178.5	-178.3	-118.2	0	0	0	109.3	F133 V210 M214 E215 F216 F269 Y323 L324 W325	F133-F341 HydrophobicContact CD2-CE2 4.25Å; F133-F341 AromaticContact CE2-CE2 3.92Å; F133-F341 HydrophobicContact CE2-CE2 3.92Å; F133-F341 AromaticContact CE2-CZ 3.97Å; F133-F341 HydrophobicContact CE2-CZ 3.97Å; V210-F341 HydrophobicContact CB-CE1 4.15Å; V210-F341 HydrophobicContact CB-CZ 4.02Å; V210-F341 HydrophobicContact CG1-CE1 4.29Å; V210-F341 HydrophobicContact CG1-CZ 4.45Å; V210-F341 HydrophobicContact CG2-CZ 4.23Å; M214-F341 HydrophobicContact CB-CD1 4.36Å; M214-F341 HydrophobicContact CB-CD2 4.05Å; M214-F341 HydrophobicContact CB-CE1 3.67Å; M214-F341 HydrophobicContact CB-CE2 3.29Å; M214-F341 HydrophobicContact CB-CZ 3.08Å; M214-F341 HydrophobicContact CE-CD1 3.56Å; M214-F341 HydrophobicContact CE-CE1 3.59Å; M214-F341 HydrophobicContact CE-CG 4.23Å; M214-F341 HydrophobicContact CE-CZ 4.27Å; M214-F341 HydrophobicContact CG-CD1 4.48Å; M214-F341 HydrophobicContact CG-CE1 3.64Å; M214-F341 HydrophobicContact CG-CE2 4.2Å; M214-F341 HydrophobicContact CG-CZ 3.49Å; M214-F341 VanDerWaalsContact CG-CZ 3.49Å; M214-F341 HydrophobicContact SD-CE1 4.46Å; E215-F341 CarbonylContact O-C 3.6Å; E215-F341 WeakPolarHBondContact O-CA 3.45Å; E215-F341 WeakPolarHBondContact O-CD2 3.37Å; F216-F341 HydrophobicContact CD1-CB 4.32Å; F216-F341 AromaticContact CD1-CD2 3.65Å; F216-F341 HydrophobicContact CD1-CD2 3.65Å; F216-F341 HydrophobicContact CD1-CE2 4.32Å; F216-F341 HydrophobicContact CD1-CG 4.33Å; F216-F341 AromaticContact CD2-CD2 3.88Å; F216-F341 HydrophobicContact CD2-CD2 3.88Å; F216-F341 AromaticContact CD2-CE2 3.92Å; F216-F341 HydrophobicContact CD2-CE2 3.92Å; F216-F341 AromaticContact CE1-CD2 3.63Å; F216-F341 HydrophobicContact CE1-CD2 3.63Å; F216-F341 AromaticContact CE1-CE2 3.99Å; F216-F341 HydrophobicContact CE1-CE2 3.99Å; F216-F341 HydrophobicContact CE1-CG 4.24Å; F216-F341 AromaticContact CE2-CD2 3.86Å; F216-F341 HydrophobicContact CE2-CD2 3.86Å; F216-F341 AromaticContact CE2-CE2 3.55Å; F216-F341 HydrophobicContact CE2-CE2 3.55Å; F216-F341 AromaticContact CG-CD2 3.77Å; F216-F341 HydrophobicContact CG-CD2 3.77Å; F216-F341 HydrophobicContact CG-CE2 4.29Å; F216-F341 AromaticContact CZ-CD2 3.74Å; F216-F341 HydrophobicContact CZ-CD2 3.74Å; F216-F341 AromaticContact CZ-CE2 3.59Å; F216-F341 HydrophobicContact CZ-CE2 3.59Å; F216-F341 HydrophobicContact CZ-CZ 4.36Å; F269-F341 AromaticContact CD2-CD1 3.76Å; F269-F341 HydrophobicContact CD2-CD1 3.76Å; F269-F341 HydrophobicContact CD2-CE1 4.11Å; F269-F341 HydrophobicContact CE2-CD1 4.09Å; Y323-F341 WeakPolarHBondContact O-CB 3.22Å; Y323-F341 WeakPolarHBondContact O-CD1 3.49Å; L324-F341 WeakPolarHBondContact CA-O 3.36Å; W325-F341 PolarHBondContact N-O 3.08Å
342	T	98.7	Very high	95.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146	-164.1	57.8	0	0	0	0	113	M214 E215 R217 W325 L339	M214-T342 CarbonylContact C-O 3.55Å; M214-T342 VanDerWaalsContact CA-O 3.28Å; M214-T342 WeakPolarHBondContact CA-O 3.14Å; E215-T342 WeakPolarHBondContact CG-OG1 3.28Å; E215-T342 PolarHBondContact N-O 2.78Å; E215-T342 PolarHBondContact O-N 3.03Å; R217-T342 VanDerWaalsContact CD-OG1 3.31Å; R217-T342 WeakPolarHBondContact CD-OG1 3.5Å; R217-T342 PolarHBondContact NE-OG1 2.98Å; R217-T342 VanDerWaalsContact NE-OG1 3.09Å; W325-T342 HydrophobicContact CB-CG2 4.31Å; W325-T342 CarbonylContact O-C 3.53Å; W325-T342 WeakPolarHBondContact O-CA 3.42Å; L339-T342 HydrophobicContact CB-CG2 3.91Å
343	A	98.3	Very high	94.3	Very high	17 Å²	17	51.3 Å²	51.3	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135	176.8	0	0	0	0	0	112.4	M214 W325 D326	M214-A343 WeakPolarHBondContact SD-CA 3.44Å; M214-A343 HydrophobicContact SD-CB 3.98Å; W325-A343 PolarHBondContact O-N 3.41Å; D326-A343 HydrophobicContact CB-CB 4.15Å
344	V	97.4	Very high	93.2	Very high	23 Å²	23	57.6 Å²	57.6	14%	0.139	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-85	129.5	169.2	178.2	0	0	0	0	108.3	F129 L132 D213 E215 K346	F129-V344 HydrophobicContact CD1-CB 4.35Å; F129-V344 HydrophobicContact CD1-CG1 4.14Å; F129-V344 HydrophobicContact CE1-CB 4.38Å; F129-V344 HydrophobicContact CE1-CG1 4.05Å; L132-V344 HydrophobicContact CD2-CG1 4.49Å; L132-V344 HydrophobicContact CD2-CG2 3.8Å; D213-V344 PolarHBondContact O-N 2.62Å; E215-V344 HydrophobicContact CB-CG2 4.11Å; E215-V344 HydrophobicContact CG-CG2 4.22Å; V344-K346 PolarHBondContact O-N 3.18Å
345	P	93.7	Very high	93	Very high	87 Å²	87	55.5 Å²	55.5	57%	0.565	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-55.4	132.5	177	-27.6	35.6	0	0	0	111.9
346	K	93.4	Very high	92.7	Very high	57 Å²	57	56.9 Å²	56.9	25%	0.248	30%	0.302	C	S	.	.			trans	-151.2	149.2	-176.5	59.6	-177.9	172.2	-94.3	0	111.2	F129 D213 V344 H348	F129-K346 HydrophobicContact CE1-CB 4.44Å; F129-K346 HydrophobicContact CZ-CB 4.01Å; F129-K346 HydrophobicContact CZ-CD 4.34Å; D213-K346 HydrophobicContact CB-CD 4.03Å; D213-K346 WeakPolarHBondContact OD2-CD 3.35Å; D213-K346 WeakPolarHBondContact OD2-CE 3.4Å; D213-K346 IonicContact OD2-NZ 3.85Å; D213-K346 PolarHBondContact OD2-NZ 3.05Å; V344-K346 PolarHBondContact O-N 3.18Å; K346-H348 VanDerWaalsContact CE-NE2 3.32Å; K346-H348 WeakPolarHBondContact CE-NE2 3.37Å
347	N	93.6	Very high	92.4	Very high	105 Å²	105	59.9 Å²	59.9	56%	0.561	32%	0.318	S	S	*	.			trans	-90.5	107.7	167.3	-176.9	-46.1	0	0	0	109	Q349 A350 V351	N347-Q349 VanDerWaalsContact C-N 3.3Å; N347-Q349 PolarHBondContact O-N 2.75Å; N347-Q349 PolarHBondContact OD1-N 2.73Å; N347-A350 HydrophobicContact CB-CB 3.96Å; N347-A350 PolarHBondContact O-N 2.83Å; N347-A350 PolarHBondContact OD1-N 3.34Å; N347-V351 WeakPolarHBondContact O-CG1 3.43Å; N347-V351 PolarHBondContact O-N 3.28Å
348	H	86	Confident	92	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-42	-177.6	-71.2	103.8	0	0	0	113.2	K346 R352	K346-H348 VanDerWaalsContact CE-NE2 3.32Å; K346-H348 WeakPolarHBondContact CE-NE2 3.37Å; H348-R352 PolarHBondContact CD2-NH2 3.31Å; H348-R352 VanDerWaalsContact CD2-NH2 3.34Å; H348-R352 WeakPolarHBondContact O-CB 3.43Å; H348-R352 WeakPolarHBondContact O-CD 3.36Å; H348-R352 VanDerWaalsContact O-CG 3.23Å; H348-R352 WeakPolarHBondContact O-CG 3.48Å; H348-R352 PolarHBondContact O-N 3Å; H348-R352 VanDerWaalsContact O-N 3.16Å
349	Q	85.4	Confident	91.6	Very high	135 Å²	135	56 Å²	56	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-66.8	-42.4	-179.4	-176.7	60.6	23.1	0	0	111.3	N347 N353	N347-Q349 VanDerWaalsContact C-N 3.3Å; N347-Q349 PolarHBondContact O-N 2.75Å; N347-Q349 PolarHBondContact OD1-N 2.73Å; Q349-N353 PolarHBondContact NE2-ND2 2.89Å; Q349-N353 VanDerWaalsContact NE2-ND2 3.13Å; Q349-N353 PolarHBondContact O-ND2 2.87Å; Q349-N353 PolarHBondContact OE1-ND2 2.7Å
350	A	89.3	Confident	91.1	Very high	55 Å²	55	59.2 Å²	59.2	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-72.1	-37.1	-177.2	0	0	0	0	0	113.2	K125 N347	K125-A350 WeakPolarHBondContact CD-O 3.31Å; K125-A350 PolarHBondContact NZ-O 3.36Å; K125-A350 VanDerWaalsContact NZ-O 3.12Å; N347-A350 HydrophobicContact CB-CB 3.96Å; N347-A350 PolarHBondContact O-N 2.83Å; N347-A350 PolarHBondContact OD1-N 3.34Å
351	V	90.1	Very high	90.5	Very high	18 Å²	18	63.4 Å²	63.4	11%	0.109	36%	0.355	C	S	.	.	H	α-helix	trans	-84.2	-27.8	-175.6	75.9	0	0	0	0	113.1	K125 Y126 F129 N347	K125-V351 HydrophobicContact CB-CG2 4.05Å; Y126-V351 HydrophobicContact CD2-CG2 4.13Å; Y126-V351 HydrophobicContact CE2-CG1 4.11Å; Y126-V351 HydrophobicContact CE2-CG2 3.97Å; F129-V351 HydrophobicContact CE2-CG2 3.83Å; F129-V351 HydrophobicContact CZ-CG2 4.16Å; N347-V351 WeakPolarHBondContact O-CG1 3.43Å; N347-V351 PolarHBondContact O-N 3.28Å
352	R	88.3	Confident	89.9	Confident	64 Å²	64	68.2 Å²	68.2	24%	0.242	38%	0.382	C	S	.	.	H	α-helix	trans	-85.5	-16.4	-178.5	-69.3	172.6	172.6	170.3	-1.6	114	Y126 W181 H348	Y126-R352 HydrophobicContact CE2-CG 4.32Å; W181-R352 HydrophobicContact CB-CB 3.97Å; W181-R352 HydrophobicContact CB-CG 3.91Å; W181-R352 HydrophobicContact CG-CB 4.13Å; W181-R352 HydrophobicContact CG-CG 4.01Å; H348-R352 PolarHBondContact CD2-NH2 3.31Å; H348-R352 VanDerWaalsContact CD2-NH2 3.34Å; H348-R352 WeakPolarHBondContact O-CB 3.43Å; H348-R352 WeakPolarHBondContact O-CD 3.36Å; H348-R352 VanDerWaalsContact O-CG 3.23Å; H348-R352 WeakPolarHBondContact O-CG 3.48Å; H348-R352 PolarHBondContact O-N 3Å; H348-R352 VanDerWaalsContact O-N 3.16Å
353	N	79.9	Confident	89.2	Confident	63 Å²	63	73.8 Å²	73.8	34%	0.337	41%	0.413	S	S	.	.			trans	-120.7	151.9	-175.9	-59.1	-71.7	0	0	0	111.1	K125 Q349	K125-N353 VanDerWaalsContact CE-O 3.25Å; K125-N353 WeakPolarHBondContact CE-O 3.27Å; K125-N353 PolarHBondContact NZ-O 3.36Å; Q349-N353 PolarHBondContact NE2-ND2 2.89Å; Q349-N353 VanDerWaalsContact NE2-ND2 3.13Å; Q349-N353 PolarHBondContact O-ND2 2.87Å; Q349-N353 PolarHBondContact OE1-ND2 2.7Å
354	P	74.5	Confident	88.3	Confident	172 Å²	172	79 Å²	79	100%	1.117	44%	0.438	S	S	*	.			trans	-51.9	0	175.2	-27.1	36.2	0	0	0	114.3	K125	K125-P354 VanDerWaalsContact CE-OXT 3.26Å; K125-P354 WeakPolarHBondContact CE-OXT 3.41Å; K125-P354 PolarHBondContact NZ-OXT 2.64Å

Retrieved 354 of 354 residues in 392.9 ms (Link to these results)

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