A0A060VHY2_HUMAN Loading...

ABO glycosyltransferase

AlphaFold DB , UniProt , Accession A0A060VHY2, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	40.2	Very low	52.4	Low	258 Å²	258	152.6 Å²	152.6	100%	1.122	78%	0.782	S	S	*	*				0	96.7	0	-73.8	179.8	176.7	178.1	0	108.7
2	P	41.6	Very low	53.6	Low	134 Å²	134	149.5 Å²	149.5	87%	0.87	77%	0.767	S	S	*	*			trans	-82.3	135.3	176.1	32.2	-27.6	0	0	0	109.9
3	K	44	Very low	54.9	Low	209 Å²	209	149.6 Å²	149.6	91%	0.909	76%	0.759	S	S	*	*			trans	-81.4	123.8	175.7	-70	173.2	174.5	176.9	0	108.4
4	C	40.9	Very low	56	Low	120 Å²	120	146.5 Å²	146.5	81%	0.811	74%	0.744	S	S	*	*			trans	-116.9	89.7	175.5	-164	0	0	0	0	109.1
5	H	52.8	Low	57	Low	189 Å²	189	142.9 Å²	142.9	88%	0.875	73%	0.726	S	S	*	*			trans	-145.9	97.9	171.5	-75	-57	0	0	0	109.6
6	A	55.2	Low	57.7	Low	81 Å²	81	141.3 Å²	141.3	67%	0.669	72%	0.717	S	S	*	*			trans	-167.4	-2.5	160.5	0	0	0	0	0	115.1
7	L	55.7	Low	58.4	Low	142 Å²	142	138.3 Å²	138.3	74%	0.743	70%	0.703	S	S	*	*	S	Bend	trans	-88.8	-19.1	-169.5	-132.3	80.9	0	0	0	115.6	I11	L7-I11 HydrophobicContact CD2-CD1 4.48Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å
8	R	54.2	Low	59	Low	219 Å²	219	134.7 Å²	134.7	83%	0.826	69%	0.689	S	S	*	*	H	α-helix	trans	-76.9	-38.4	-172.7	-118.4	179.5	-177.3	-176.7	0.5	115.9
9	P	58.6	Low	59.4	Low	94 Å²	94	133.6 Å²	133.6	61%	0.61	68%	0.684	S	S	*	*	H	α-helix	trans	-72.5	-31.6	-179.3	-10.5	24	0	0	0	112.6	L12 F13	P9-L12 PolarHBondContact O-N 3Å; P9-F13 PolarHBondContact O-N 3.38Å; P9-F13 VanDerWaalsContact O-N 3.16Å
10	M	63.8	Low	59.8	Low	139 Å²	139	131.1 Å²	131.1	69%	0.685	67%	0.674	S	S	*	*	H	α-helix	trans	-72.6	-34.2	-175.1	-139.2	-159.4	175.7	0	0	112.7	F13 L14	M10-F13 PolarHBondContact O-N 3.48Å; M10-L14 PolarHBondContact O-N 3.39Å; M10-L14 VanDerWaalsContact O-N 3.1Å
11	I	69.2	Low	59.7	Low	94 Å²	94	130.4 Å²	130.4	48%	0.482	67%	0.672	S	S	.	*	H	α-helix	trans	-67.6	-40.8	176.1	-64.3	169.7	0	0	0	110.7	L7 F13 L14 I15	L7-I11 HydrophobicContact CD2-CD1 4.48Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.02Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-I15 HydrophobicContact CG2-CD1 3.95Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.12Å; I11-I15 VanDerWaalsContact O-N 3.11Å
12	L	67.4	Low	60.3	Low	115 Å²	115	125.4 Å²	125.4	60%	0.602	65%	0.65	S	S	*	*	H	α-helix	trans	-63.8	-38.3	176.1	-84.2	157.4	0	0	0	112.1	P9 M16	P9-L12 PolarHBondContact O-N 3Å; L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 2.96Å
13	F	70.6	Confident	60.6	Low	151 Å²	151	121 Å²	121	66%	0.662	63%	0.63	S	S	*	*	H	α-helix	trans	-67.2	-39.3	176.6	-161.3	-96.8	0	0	0	112.3	P9 M10 I11 M16 L17	P9-F13 PolarHBondContact O-N 3.38Å; P9-F13 VanDerWaalsContact O-N 3.16Å; M10-F13 PolarHBondContact O-N 3.48Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.02Å; F13-M16 PolarHBondContact O-N 3.5Å; F13-L17 PolarHBondContact O-N 3.43Å; F13-L17 VanDerWaalsContact O-N 3.13Å
14	L	69.6	Low	60.5	Low	106 Å²	106	120.4 Å²	120.4	56%	0.555	62%	0.623	S	S	*	*	H	α-helix	trans	-65.3	-40.6	177.2	-127.5	88.3	0	0	0	112.4	M10 I11 L17 V18	M10-L14 PolarHBondContact O-N 3.39Å; M10-L14 VanDerWaalsContact O-N 3.1Å; I11-L14 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3.11Å; L14-V18 VanDerWaalsContact O-N 3.12Å
15	I	70.5	Confident	60.5	Low	92 Å²	92	117.7 Å²	117.7	47%	0.472	62%	0.615	S	S	.	*	H	α-helix	trans	-64.8	-41.8	178.9	-67.6	166.7	0	0	0	110.9	I11 L17 V18 L19	I11-I15 HydrophobicContact CG2-CD1 3.95Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.12Å; I11-I15 VanDerWaalsContact O-N 3.11Å; I15-L17 PolarHBondContact O-N 3.29Å; I15-V18 PolarHBondContact O-N 3Å; I15-L19 HydrophobicContact CG2-CD1 4.18Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.44Å; I15-L19 VanDerWaalsContact O-N 3.11Å
16	M	68.3	Low	60.1	Low	117 Å²	117	114.7 Å²	114.7	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-64.6	-38.8	176.6	-71.9	-63.9	-67.2	0	0	112.3	L12 F13 L19 V20	L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 2.96Å; F13-M16 PolarHBondContact O-N 3.5Å; M16-L19 PolarHBondContact O-N 3.02Å; M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 3.09Å; M16-V20 VanDerWaalsContact O-N 3.09Å
17	L	69.8	Low	59.4	Low	91 Å²	91	118 Å²	118	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-65.2	-39.8	177.6	-165.4	75.6	0	0	0	112	F13 L14 I15 V20 L21	F13-L17 PolarHBondContact O-N 3.43Å; F13-L17 VanDerWaalsContact O-N 3.13Å; L14-L17 PolarHBondContact O-N 3.44Å; I15-L17 PolarHBondContact O-N 3.29Å; L17-V20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CG-CD1 4.16Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 3.05Å
18	V	69.9	Low	58.4	Low	74 Å²	74	115.8 Å²	115.8	45%	0.448	61%	0.612	S	S	.	*	H	α-helix	trans	-65.2	-41.5	176.2	173.3	0	0	0	0	111.3	L14 I15 V20 L21 F22	L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3.11Å; L14-V18 VanDerWaalsContact O-N 3.12Å; I15-V18 PolarHBondContact O-N 3Å; V18-V20 PolarHBondContact O-N 3.4Å; V18-L21 PolarHBondContact O-N 3.4Å; V18-F22 HydrophobicContact CG1-CD2 3.85Å; V18-F22 HydrophobicContact CG1-CE2 4.17Å; V18-F22 WeakPolarHBondContact O-CD2 3.44Å; V18-F22 PolarHBondContact O-N 3.46Å
19	L	67.2	Low	57.5	Low	113 Å²	113	111.6 Å²	111.6	59%	0.592	61%	0.613	S	S	*	*	H	α-helix	trans	-66	-36.2	177.9	-71.6	169.9	0	0	0	112.7	I15 M16 G23	I15-L19 HydrophobicContact CG2-CD1 4.18Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.44Å; I15-L19 VanDerWaalsContact O-N 3.11Å; M16-L19 PolarHBondContact O-N 3.02Å; L19-G23 PolarHBondContact O-N 3.15Å
20	V	66.2	Low	56.1	Low	83 Å²	83	117.6 Å²	117.6	50%	0.503	62%	0.623	S	S	.	*	H	α-helix	trans	-70.6	-40.9	175.8	173.4	0	0	0	0	111.3	M16 L17 V18 G23 Y24	M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 3.09Å; M16-V20 VanDerWaalsContact O-N 3.09Å; L17-V20 PolarHBondContact O-N 3.48Å; V18-V20 PolarHBondContact O-N 3.4Å; V20-G23 PolarHBondContact O-N 3.25Å; V20-Y24 HydrophobicContact CG1-CD2 4.27Å; V20-Y24 WeakPolarHBondContact O-CD2 3.41Å; V20-Y24 PolarHBondContact O-N 3.33Å
21	L	57.8	Low	54.6	Low	118 Å²	118	116.2 Å²	116.2	62%	0.618	63%	0.628	S	S	*	*	H	α-helix	trans	-67.7	-38.4	177.8	-73.4	167.2	0	0	0	112.5	L17 V18 G25	L17-L21 HydrophobicContact CG-CD1 4.16Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 3.05Å; V18-L21 PolarHBondContact O-N 3.4Å; L21-G25 PolarHBondContact O-N 2.96Å
22	F	53.5	Low	52.8	Low	153 Å²	153	119.8 Å²	119.8	67%	0.671	65%	0.647	S	S	*	*	H	α-helix	trans	-76.6	-30.2	175.1	-88.8	-89	0	0	0	113.2	V18 Y24 G25	V18-F22 HydrophobicContact CG1-CD2 3.85Å; V18-F22 HydrophobicContact CG1-CE2 4.17Å; V18-F22 WeakPolarHBondContact O-CD2 3.44Å; V18-F22 PolarHBondContact O-N 3.46Å; F22-Y24 VanDerWaalsContact C-N 3.35Å; F22-G25 PolarHBondContact O-N 2.77Å
23	G	46.7	Very low	51.1	Low	42 Å²	42	123 Å²	123	43%	0.433	66%	0.661	S	S	.	*	H	α-helix	trans	-67.5	-31.5	175.3	0	0	0	0	0	113.8	L19 V20	L19-G23 PolarHBondContact O-N 3.15Å; V20-G23 PolarHBondContact O-N 3.25Å
24	Y	43.1	Very low	49.3	Very low	195 Å²	195	121.6 Å²	121.6	77%	0.765	67%	0.667	S	S	*	*	H	α-helix	trans	-82.8	-20.3	175.5	-92.7	-88.4	0	0	0	114	V20 F22	V20-Y24 HydrophobicContact CG1-CD2 4.27Å; V20-Y24 WeakPolarHBondContact O-CD2 3.41Å; V20-Y24 PolarHBondContact O-N 3.33Å; F22-Y24 VanDerWaalsContact C-N 3.35Å
25	G	41.3	Very low	47.4	Very low	63 Å²	63	119.9 Å²	119.9	65%	0.649	68%	0.675	S	S	*	*	H	α-helix	trans	-78	-14.3	-179.9	0	0	0	0	0	115.5	L21 F22	L21-G25 PolarHBondContact O-N 2.96Å; F22-G25 PolarHBondContact O-N 2.77Å
26	V	44	Very low	45.4	Very low	126 Å²	126	120.9 Å²	120.9	76%	0.764	69%	0.69	S	S	*	*	S	Bend	trans	-98	-8.6	-176.9	179.9	0	0	0	0	112.7
27	L	39.9	Very low	43.5	Very low	151 Å²	151	123.7 Å²	123.7	79%	0.791	71%	0.706	S	S	*	*			trans	-109.2	71.7	177.1	-77.1	160.9	0	0	0	110.8
28	S	34.4	Very low	41.6	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	72%	0.716	S	S	*	*			trans	-141.8	110.5	163.2	-148.1	0	0	0	0	110.1	R30	S28-R30 PolarHBondContact O-N 3.45Å
29	P	34.8	Very low	39.5	Very low	131 Å²	131	133.3 Å²	133.3	85%	0.851	74%	0.735	S	S	*	*			trans	-86.9	96.5	178.4	31.3	-27.7	0	0	0	109.5
30	R	30.5	Very low	37.8	Very low	219 Å²	219	131 Å²	131	83%	0.826	74%	0.738	S	S	*	*			trans	-110.1	103.8	165.4	-88.9	-174.3	173.8	175.3	-1.2	110.6	S28	S28-R30 PolarHBondContact O-N 3.45Å
31	S	32.6	Very low	35.9	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	76%	0.757	S	S	*	*			trans	38.2	100.4	137.5	59.1	0	0	0	0	118
32	L	31.3	Very low	34.4	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	77%	0.772	S	S	*	*			trans	-120.1	111.7	150.4	-94.2	106.5	0	0	0	109.6
33	M	31.5	Very low	33.3	Very low	182 Å²	182	137.6 Å²	137.6	90%	0.897	78%	0.775	S	S	*	*			trans	-81.9	143.6	158.4	-73.8	-75.3	167.6	0	0	108.8
34	P	33.4	Very low	32.4	Very low	123 Å²	123	140.8 Å²	140.8	80%	0.799	80%	0.798	S	S	*	*			trans	-121.4	122.8	145.6	11.6	8.8	0	0	0	110.6
35	G	27.9	Very low	31.9	Very low	69 Å²	69	137 Å²	137	71%	0.711	80%	0.795	S	S	*	*			trans	-76.3	136.3	166.7	0	0	0	0	0	112
36	S	28.7	Very low	31.4	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	81%	0.807	S	S	*	*			trans	45.4	112.2	142.8	63.2	0	0	0	0	120.8
37	L	29.3	Very low	30.6	Very low	175 Å²	175	146.4 Å²	146.4	92%	0.916	80%	0.803	S	S	*	*				-150.8	137	122	-143.2	82.1	0	0	0	111.3
38	E	29.4	Very low	30.8	Very low	146 Å²	146	145 Å²	145	68%	0.682	80%	0.803	S	S	*	*			trans	-52.2	161.8	-176.2	-50.3	173.8	157.1	0	0	113.5
39	R	25.8	Very low	30.9	Very low	221 Å²	221	146.5 Å²	146.5	83%	0.834	80%	0.804	S	S	*	*			cis	-178	129.3	47.6	-157.8	171.9	-85.5	-175.5	-7.7	109.6
40	G	30.9	Very low	31.4	Very low	65 Å²	65	148.8 Å²	148.8	67%	0.67	80%	0.803	S	S	*	*			trans	65	91.8	141.2	0	0	0	0	0	121
41	F	26.2	Very low	32.4	Very low	202 Å²	202	144.9 Å²	144.9	89%	0.886	80%	0.798	S	S	*	*			trans	-151.5	93.1	135.4	-106.2	-83.2	0	0	0	108.1	M43	F41-M43 VanDerWaalsContact C-N 3.29Å; F41-M43 PolarHBondContact O-N 3.1Å
42	C	27.5	Very low	33.4	Very low	141 Å²	141	147.5 Å²	147.5	95%	0.953	80%	0.798	S	S	*	*			trans	-72	88.8	166.3	-94	0	0	0	0	108.4
43	M	29.8	Very low	35.1	Very low	149 Å²	149	151.6 Å²	151.6	73%	0.734	80%	0.802	S	S	*	*			trans	-91.9	126.1	149.6	-69	-149	-55.1	0	0	107	F41 V45	F41-M43 VanDerWaalsContact C-N 3.29Å; F41-M43 PolarHBondContact O-N 3.1Å; M43-V45 PolarHBondContact O-N 3.33Å
44	A	28.9	Very low	37.4	Very low	110 Å²	110	146.1 Å²	146.1	91%	0.909	78%	0.778	S	S	*	*			trans	-62.8	86.7	167.9	0	0	0	0	0	108.4	R46	A44-R46 PolarHBondContact O-N 3.41Å
45	V	32.1	Very low	40.1	Very low	115 Å²	115	145.2 Å²	145.2	70%	0.697	78%	0.775	S	S	*	*			trans	-70	108.6	163.5	177.6	0	0	0	0	104.9	M43 E47	M43-V45 PolarHBondContact O-N 3.33Å; V45-E47 PolarHBondContact O-N 3.16Å; V45-E47 VanDerWaalsContact O-N 3.11Å
46	R	29.8	Very low	43.3	Very low	237 Å²	237	145.1 Å²	145.1	89%	0.894	76%	0.757	S	S	*	*			trans	-56.5	115.7	160.9	-106.5	178.8	174.1	174.6	-2	106.6	A44	A44-R46 PolarHBondContact O-N 3.41Å
47	E	28.8	Very low	46.5	Very low	149 Å²	149	142.8 Å²	142.8	70%	0.696	74%	0.74	S	S	*	*			trans	-54.1	140	169	-73.7	-179.5	149.1	0	0	109.9	V45 D49	V45-E47 PolarHBondContact O-N 3.16Å; V45-E47 VanDerWaalsContact O-N 3.11Å; E47-D49 HydrophobicContact CB-CB 4.44Å; E47-D49 PolarHBondContact O-N 3.47Å
48	P	42.8	Very low	49.7	Very low	122 Å²	122	145.6 Å²	145.6	79%	0.792	74%	0.738	S	S	*	*	S	Bend	trans	-81.9	54.2	176.1	35.5	-33.4	0	0	0	110.7
49	D	37.7	Very low	53	Low	128 Å²	128	141.2 Å²	141.2	68%	0.684	72%	0.718	S	S	*	*			trans	-120.9	24.6	-172.8	-102.4	-6.5	0	0	0	114.3	E47	E47-D49 HydrophobicContact CB-CB 4.44Å; E47-D49 PolarHBondContact O-N 3.47Å
50	H	44.2	Very low	56.4	Low	178 Å²	178	136.9 Å²	136.9	82%	0.824	72%	0.716	S	S	*	*			trans	-117.4	27.6	174.8	-63.3	-36.2	0	0	0	114.2	Q52	H50-Q52 VanDerWaalsContact C-N 3.29Å; H50-Q52 PolarHBondContact O-N 3.11Å
51	L	51.5	Low	59.6	Low	137 Å²	137	139.1 Å²	139.1	72%	0.717	71%	0.705	S	S	*	*			trans	-68.9	95.2	163.4	-87.5	160.8	0	0	0	108	R53	L51-R53 PolarHBondContact O-N 3.22Å
52	Q	54.1	Low	63	Low	167 Å²	167	135 Å²	135	78%	0.78	70%	0.699	S	S	*	*			trans	-52.3	118.4	170.3	-160.7	172.2	11.3	0	0	107.1	H50 V54	H50-Q52 VanDerWaalsContact C-N 3.29Å; H50-Q52 PolarHBondContact O-N 3.11Å; Q52-V54 HydrophobicContact CB-CG2 4.06Å; Q52-V54 HydrophobicContact CG-CG2 4.05Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 3.13Å
53	R	66.4	Low	66.4	Low	254 Å²	254	136.3 Å²	136.3	96%	0.958	69%	0.691	S	S	*	*			trans	-74.4	80.5	-177.5	-161.9	-179	-158.1	179	6.9	108.6	L51	L51-R53 PolarHBondContact O-N 3.22Å
54	V	80.9	Confident	69.6	Low	67 Å²	67	134 Å²	134	41%	0.406	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-89	125.4	179.7	-162.5	0	0	0	0	109	Q52 L101	Q52-V54 HydrophobicContact CB-CG2 4.06Å; Q52-V54 HydrophobicContact CG-CG2 4.05Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 3.13Å; V54-L101 HydrophobicContact CB-CB 4.19Å; V54-L101 HydrophobicContact CB-CD1 4.34Å; V54-L101 HydrophobicContact CG1-CB 4.07Å; V54-L101 HydrophobicContact CG1-CD1 3.9Å; V54-L101 HydrophobicContact CG1-CD2 3.79Å; V54-L101 HydrophobicContact CG1-CG 4.11Å
55	S	90.3	Very high	72.9	Confident	104 Å²	104	136.3 Å²	136.3	73%	0.727	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-76.6	137.2	173.7	-175.7	0	0	0	0	109.6
56	L	95	Very high	76	Confident	66 Å²	66	137.6 Å²	137.6	35%	0.346	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-61.2	142.9	167.6	-70.7	170.7	0	0	0	109.7	E97 Q98 L101	L56-E97 HydrophobicContact CD2-CB 3.67Å; L56-Q98 HydrophobicContact CD1-CG 4.21Å; L56-Q98 HydrophobicContact CD2-CG 3.9Å; L56-L101 HydrophobicContact CD2-CD1 3.85Å
57	P	95.1	Very high	79.3	Confident	66 Å²	66	134.5 Å²	134.5	43%	0.429	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-66.2	166.8	172.6	29.5	-34.6	0	0	0	110.6	M59 E97	P57-M59 HydrophobicContact CG-CG 4.45Å; P57-M59 WeakPolarHBondContact O-CG 3.35Å; P57-M59 PolarHBondContact O-N 3.46Å; P57-E97 HydrophobicContact CG-CG 4.41Å
58	R	96.9	Very high	82.6	Confident	233 Å²	233	131.1 Å²	131.1	88%	0.879	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59.8	124.9	168.2	174.6	-177.2	168.1	116.1	-1.5	108.8
59	M	97.9	Very high	85.2	Confident	54 Å²	54	128.8 Å²	128.8	27%	0.266	66%	0.659	S	S	.	*			trans	-125.1	145.8	175.5	-58.8	176	79.5	0	0	109.7	P57 Y61 D93 I94 E97	P57-M59 HydrophobicContact CG-CG 4.45Å; P57-M59 WeakPolarHBondContact O-CG 3.35Å; P57-M59 PolarHBondContact O-N 3.46Å; M59-Y61 HydrophobicContact CB-CD1 3.68Å; M59-Y61 HydrophobicContact CB-CE1 3.74Å; M59-D93 HydrophobicContact CE-CB 3.86Å; M59-I94 HydrophobicContact CE-CG1 4.14Å; M59-I94 HydrophobicContact SD-CG1 4.32Å; M59-E97 HydrophobicContact CE-CG 3.84Å; M59-E97 HydrophobicContact SD-CB 4.44Å; M59-E97 HydrophobicContact SD-CG 3.99Å
60	V	97.9	Very high	88.1	Confident	131 Å²	131	125.9 Å²	125.9	79%	0.794	65%	0.648	S	S	*	*			trans	-114.4	115.2	173.8	-179.1	0	0	0	0	107.4
61	Y	97.6	Very high	90.7	Very high	112 Å²	112	117.9 Å²	117.9	44%	0.439	61%	0.611	S	S	.	*			trans	-146.2	160.8	-178.8	50.2	-102.9	0	0	0	110.2	M59 Q63 I94	M59-Y61 HydrophobicContact CB-CD1 3.68Å; M59-Y61 HydrophobicContact CB-CE1 3.74Å; Y61-Q63 PolarHBondContact O-N 3.38Å; Y61-I94 HydrophobicContact CD1-CD1 4Å; Y61-I94 HydrophobicContact CD1-CG1 4.17Å; Y61-I94 HydrophobicContact CD2-CD1 4.21Å; Y61-I94 HydrophobicContact CE1-CD1 3.76Å; Y61-I94 HydrophobicContact CE1-CG1 4.09Å; Y61-I94 HydrophobicContact CE2-CD1 4Å; Y61-I94 HydrophobicContact CG-CD1 4.23Å
62	P	98.1	Very high	92.9	Very high	115 Å²	115	120 Å²	120	75%	0.747	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.4	131.1	176.6	-25.8	35.4	0	0	0	112.2
63	Q	98.2	Very high	95.1	Very high	168 Å²	168	116.1 Å²	116.1	79%	0.785	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61.1	131.1	178.7	-172.9	-178.1	11.3	0	0	110.7	Y61 K65	Y61-Q63 PolarHBondContact O-N 3.38Å; Q63-K65 PolarHBondContact O-N 3.11Å
64	P	97.9	Very high	96.6	Very high	100 Å²	100	105.6 Å²	105.6	65%	0.649	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.6	127.8	171.6	-24.2	34	0	0	0	111.1	V66	P64-V66 PolarHBondContact O-N 3.39Å
65	K	98.1	Very high	97.4	Very high	159 Å²	159	107 Å²	107	69%	0.691	57%	0.567	S	S	*	*			trans	-92.1	96.3	-178.3	-66.5	-176.6	-179.7	-179	0	110.3	Q63 L67 T68	Q63-K65 PolarHBondContact O-N 3.11Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.49Å; K65-T68 PolarHBondContact O-N 3.34Å
66	V	97.7	Very high	97.8	Very high	143 Å²	143	104 Å²	104	87%	0.867	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.2	-174.7	179.1	0	0	0	0	113.4	P64 T68	P64-V66 PolarHBondContact O-N 3.39Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 3.12Å
67	L	98.2	Very high	98	Very high	171 Å²	171	104 Å²	104	90%	0.895	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	12.9	-178.6	-57.6	-179.6	0	0	0	113.3	K65	K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.49Å
68	T	98.1	Very high	98.2	Very high	79 Å²	79	101 Å²	101	49%	0.485	53%	0.527	S	S	.	.	S	Bend	trans	-127.1	114.1	178.8	-55.7	0	0	0	0	109.8	K65 V66	K65-T68 PolarHBondContact O-N 3.34Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 3.12Å
69	P	98.1	Very high	98.3	Very high	73 Å²	73	95.2 Å²	95.2	47%	0.474	52%	0.52	S	S	.	.			trans	-66.2	141.5	177.8	29.4	-35.9	0	0	0	110.7	R71 K72	P69-R71 VanDerWaalsContact C-N 3.32Å; P69-K72 HydrophobicContact CB-CG 4.35Å; P69-K72 HydrophobicContact CG-CD 4.13Å; P69-K72 HydrophobicContact CG-CG 3.49Å; P69-K72 VanDerWaalsContact CG-CG 3.49Å
70	C	98.1	Very high	98.3	Very high	67 Å²	67	95.8 Å²	95.8	45%	0.453	52%	0.519	S	S	.	.	S	Bend	trans	-67.5	-32.7	177.5	56.2	0	0	0	0	112.8	G88	C70-G88 WeakPolarHBondContact CB-O 3.39Å
71	R	98.5	Very high	98.4	Very high	10 Å²	10	96.5 Å²	96.5	4%	0.038	52%	0.518	C	S	.	.			trans	-137.4	139.9	172.7	-65.2	-67.6	-66.9	-92	-4.1	109	P69 D73 V74 V76 E87 T89 E312 V325 R327	P69-R71 VanDerWaalsContact C-N 3.32Å; R71-D73 IonicContact CZ-OD1 3.69Å; R71-D73 IonicContact CZ-OD2 3.11Å; R71-D73 IonicContact NE-OD1 3.2Å; R71-D73 PolarHBondContact NE-OD1 3.02Å; R71-D73 IonicContact NE-OD2 2.69Å; R71-D73 PolarHBondContact NE-OD2 3.19Å; R71-D73 IonicContact NH2-OD1 2.87Å; R71-D73 IonicContact NH2-OD2 3.61Å; R71-D73 PolarHBondContact NH2-OD2 3.44Å; R71-V74 HydrophobicContact CB-CG2 3.72Å; R71-V74 HydrophobicContact CG-CG2 4.05Å; R71-V76 HydrophobicContact CB-CG1 3.77Å; R71-V76 HydrophobicContact CG-CG1 4.12Å; R71-E87 WeakPolarHBondContact CD-O 3.44Å; R71-E87 PolarHBondContact NH1-O 3.26Å; R71-T89 HydrophobicContact CG-CG2 4.09Å; R71-E312 IonicContact NH1-OE1 3.43Å; R71-V325 PolarHBondContact NH2-O 3.09Å; R71-R327 VanDerWaalsContact CD-CZ 3.49Å
72	K	98.5	Very high	98.4	Very high	182 Å²	182	91.3 Å²	91.3	79%	0.791	50%	0.498	S	S	*	.	S	Bend	trans	-110.9	-8.1	179.3	-69.5	-175.8	179.4	-177.5	0	113	P69	P69-K72 HydrophobicContact CB-CG 4.35Å; P69-K72 HydrophobicContact CG-CD 4.13Å; P69-K72 HydrophobicContact CG-CG 3.49Å; P69-K72 VanDerWaalsContact CG-CG 3.49Å
73	D	98.6	Very high	98.5	Very high	85 Å²	85	88.7 Å²	88.7	46%	0.455	48%	0.481	S	S	.	.	S	Bend	trans	-111.5	-7.5	-165.1	55.6	-46.1	0	0	0	113	R71	R71-D73 IonicContact CZ-OD1 3.69Å; R71-D73 IonicContact CZ-OD2 3.11Å; R71-D73 IonicContact NE-OD1 3.2Å; R71-D73 PolarHBondContact NE-OD1 3.02Å; R71-D73 IonicContact NE-OD2 2.69Å; R71-D73 PolarHBondContact NE-OD2 3.19Å; R71-D73 IonicContact NH2-OD1 2.87Å; R71-D73 IonicContact NH2-OD2 3.61Å; R71-D73 PolarHBondContact NH2-OD2 3.44Å
74	V	98.7	Very high	98.5	Very high	32 Å²	32	80.8 Å²	80.8	19%	0.194	44%	0.444	C	S	.	.	S	Bend	trans	-144.3	157.9	-177.4	-65.9	0	0	0	0	111.6	R71 V76 W86 V325	R71-V74 HydrophobicContact CB-CG2 3.72Å; R71-V74 HydrophobicContact CG-CG2 4.05Å; V74-V76 HydrophobicContact CG2-CG1 4.09Å; V74-W86 HydrophobicContact CB-CD2 4.37Å; V74-W86 HydrophobicContact CB-CZ2 4.12Å; V74-W86 HydrophobicContact CG1-CD2 4.34Å; V74-W86 HydrophobicContact CG1-CE3 4.45Å; V74-W86 HydrophobicContact CG1-CH2 3.98Å; V74-W86 HydrophobicContact CG1-CZ2 3.87Å; V74-W86 HydrophobicContact CG1-CZ3 4.27Å; V74-W86 HydrophobicContact CG2-CD2 3.98Å; V74-W86 HydrophobicContact CG2-CG 3.98Å; V74-V325 HydrophobicContact CG1-CG2 3.22Å
75	L	98.8	Very high	98.6	Very high	96 Å²	96	76.2 Å²	76.2	50%	0.503	42%	0.415	S	S	.	.			trans	-72.8	127.8	165.6	-174.2	66.3	0	0	0	109.6	V77 I84 W86 F253	L75-V77 WeakPolarHBondContact CD1-O 3.34Å; L75-V77 VanDerWaalsContact CG-O 3.25Å; L75-V77 WeakPolarHBondContact CG-O 3.45Å; L75-I84 HydrophobicContact CB-CD1 4.11Å; L75-I84 HydrophobicContact CD2-CD1 3.73Å; L75-I84 HydrophobicContact CG-CD1 3.77Å; L75-W86 PolarHBondContact O-NE1 3.44Å; L75-W86 VanDerWaalsContact O-NE1 3.11Å; L75-F253 HydrophobicContact CD2-CZ 4.2Å
76	V	98.8	Very high	98.6	Very high	43 Å²	43	69.1 Å²	69.1	26%	0.261	38%	0.384	S	S	.	.			trans	-111.1	-5.4	-178.2	-61.5	0	0	0	0	114	R71 V74 I84 T89	R71-V76 HydrophobicContact CB-CG1 3.77Å; R71-V76 HydrophobicContact CG-CG1 4.12Å; V74-V76 HydrophobicContact CG2-CG1 4.09Å; V76-I84 PolarHBondContact O-N 2.92Å; V76-T89 HydrophobicContact CB-CG2 4.17Å; V76-T89 HydrophobicContact CG1-CG2 3.73Å
77	V	98.8	Very high	98.7	Very high	64 Å²	64	64.9 Å²	64.9	39%	0.388	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-147.2	135.4	177.1	63.2	0	0	0	0	109.1	L75 A82	L75-V77 WeakPolarHBondContact CD1-O 3.34Å; L75-V77 VanDerWaalsContact CG-O 3.25Å; L75-V77 WeakPolarHBondContact CG-O 3.45Å; V77-A82 CarbonylContact C-O 3.56Å; V77-A82 WeakPolarHBondContact CA-O 3.21Å
78	T	98.9	Very high	98.7	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	33%	0.328	C	S	.	.			trans	-75	165.2	178.3	69.9	0	0	0	0	111.3	W80 L81 A82 I84 F253 V308	T78-W80 HydrophobicContact CG2-CD2 4.46Å; T78-W80 HydrophobicContact CG2-CH2 4.02Å; T78-W80 HydrophobicContact CG2-CZ2 3.64Å; T78-W80 PolarHBondContact O-N 2.82Å; T78-W80 VanDerWaalsContact O-N 3.12Å; T78-W80 PolarHBondContact OG1-N 2.99Å; T78-W80 PolarHBondContact OG1-NE1 3.41Å; T78-L81 PolarHBondContact O-N 3.09Å; T78-A82 HydrophobicContact CG2-CB 4.12Å; T78-A82 WeakPolarHBondContact CG2-O 3.4Å; T78-A82 PolarHBondContact N-O 3.38Å; T78-A82 WeakPolarHBondContact OG1-CB 3.5Å; T78-A82 PolarHBondContact OG1-N 3.07Å; T78-A82 PolarHBondContact OG1-O 3Å; T78-I84 HydrophobicContact CG2-CD1 4.02Å; T78-I84 HydrophobicContact CG2-CG1 3.78Å; T78-F253 HydrophobicContact CG2-CE2 3.89Å; T78-F253 HydrophobicContact CG2-CZ 4.31Å; T78-V308 HydrophobicContact CG2-CG2 3.87Å
79	P	98.8	Very high	98.7	Very high	113 Å²	113	56.7 Å²	56.7	73%	0.734	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.5	173.5	-26.5	36.5	0	0	0	115
80	W	98.8	Very high	98.7	Very high	65 Å²	65	55.4 Å²	55.4	25%	0.246	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	20.8	174.6	62.5	86.9	0	0	0	113.1	T78 A82 D252 F253 K304 P305 V308	T78-W80 HydrophobicContact CG2-CD2 4.46Å; T78-W80 HydrophobicContact CG2-CH2 4.02Å; T78-W80 HydrophobicContact CG2-CZ2 3.64Å; T78-W80 PolarHBondContact O-N 2.82Å; T78-W80 VanDerWaalsContact O-N 3.12Å; T78-W80 PolarHBondContact OG1-N 2.99Å; T78-W80 PolarHBondContact OG1-NE1 3.41Å; W80-A82 VanDerWaalsContact C-N 3.3Å; W80-A82 PolarHBondContact O-N 2.78Å; W80-D252 HydrophobicContact CH2-CB 3.72Å; W80-D252 HydrophobicContact CZ3-CB 3.7Å; W80-D252 VanDerWaalsContact CZ3-CG 3.48Å; W80-D252 WeakPolarHBondContact CZ3-OD1 3.3Å; W80-F253 AromaticContact CH2-CD2 3.9Å; W80-F253 HydrophobicContact CH2-CD2 3.9Å; W80-F253 AromaticContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CZ2-CE2 4.37Å; W80-F253 HydrophobicContact CZ3-CE2 4.29Å; W80-K304 HydrophobicContact CD2-CB 4.03Å; W80-K304 HydrophobicContact CD2-CD 4.21Å; W80-K304 HydrophobicContact CD2-CG 4.11Å; W80-K304 HydrophobicContact CE3-CD 4.19Å; W80-K304 HydrophobicContact CE3-CG 4.49Å; W80-K304 HydrophobicContact CG-CB 3.98Å; W80-K304 HydrophobicContact CG-CG 4.19Å; W80-K304 HydrophobicContact CH2-CD 4.45Å; W80-K304 HydrophobicContact CZ2-CB 4.49Å; W80-K304 HydrophobicContact CZ2-CD 4.49Å; W80-K304 HydrophobicContact CZ3-CD 4.32Å; W80-P305 HydrophobicContact CZ2-CG 4.08Å; W80-P305 PolarHBondContact NE1-O 3.34Å; W80-V308 HydrophobicContact CZ2-CG2 4.26Å
81	L	98.8	Very high	98.8	Very high	146 Å²	146	54.6 Å²	54.6	76%	0.764	30%	0.296	S	S	*	.	S	Bend	trans	67.1	20.1	173.9	-50.5	178.5	0	0	0	115.6	T78	T78-L81 PolarHBondContact O-N 3.09Å
82	A	98.8	Very high	98.8	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	31%	0.305	C	S	.	.			trans	-82.4	132.2	169.6	0	0	0	0	0	110.5	V77 T78 W80 P305 T306	V77-A82 CarbonylContact C-O 3.56Å; V77-A82 WeakPolarHBondContact CA-O 3.21Å; T78-A82 HydrophobicContact CG2-CB 4.12Å; T78-A82 WeakPolarHBondContact CG2-O 3.4Å; T78-A82 PolarHBondContact N-O 3.38Å; T78-A82 WeakPolarHBondContact OG1-CB 3.5Å; T78-A82 PolarHBondContact OG1-N 3.07Å; T78-A82 PolarHBondContact OG1-O 3Å; W80-A82 VanDerWaalsContact C-N 3.3Å; W80-A82 PolarHBondContact O-N 2.78Å; A82-P305 WeakPolarHBondContact CB-O 3.27Å; A82-T306 VanDerWaalsContact CB-O 3.28Å; A82-T306 WeakPolarHBondContact CB-O 3.23Å
83	P	98.9	Very high	98.8	Very high	60 Å²	60	52.1 Å²	52.1	39%	0.39	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-60.1	138.3	172.7	-23.3	33.5	0	0	0	111.8	T306 K307 V308	P83-T306 WeakPolarHBondContact CD-O 3.16Å; P83-K307 HydrophobicContact CB-CG 4.46Å; P83-K307 HydrophobicContact CG-CG 4.39Å; P83-K307 WeakPolarHBondContact O-CA 3.32Å; P83-V308 PolarHBondContact O-N 3.49Å
84	I	98.9	Very high	98.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.8	163.4	-47.8	-174.5	0	0	0	107.2	L75 V76 T78 W86 L222 F253 V308	L75-I84 HydrophobicContact CB-CD1 4.11Å; L75-I84 HydrophobicContact CD2-CD1 3.73Å; L75-I84 HydrophobicContact CG-CD1 3.77Å; V76-I84 PolarHBondContact O-N 2.92Å; T78-I84 HydrophobicContact CG2-CD1 4.02Å; T78-I84 HydrophobicContact CG2-CG1 3.78Å; I84-W86 VanDerWaalsContact CG2-NE1 3.29Å; I84-W86 VanDerWaalsContact O-CD1 3.29Å; I84-W86 PolarHBondContact O-N 3.2Å; I84-L222 HydrophobicContact CG2-CD1 4.29Å; I84-F253 HydrophobicContact CD1-CE1 4.4Å; I84-F253 HydrophobicContact CD1-CZ 3.88Å; I84-V308 CarbonylContact C-O 3.52Å; I84-V308 WeakPolarHBondContact CA-O 3.49Å; I84-V308 HydrophobicContact CG1-CB 4.28Å; I84-V308 HydrophobicContact CG2-CB 4.38Å; I84-V308 HydrophobicContact CG2-CG1 4.32Å
85	V	98.9	Very high	98.8	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.9	-169.3	-172.9	0	0	0	0	110	F90 E213 K307 V308 L309 S310 Y313	V85-F90 HydrophobicContact CG1-CD1 4.1Å; V85-F90 HydrophobicContact CG1-CE1 4.04Å; V85-E213 HydrophobicContact CG1-CB 4.35Å; V85-E213 HydrophobicContact CG1-CG 3.77Å; V85-K307 HydrophobicContact CG2-CB 4.41Å; V85-K307 HydrophobicContact CG2-CD 4.13Å; V85-V308 PolarHBondContact N-O 2.75Å; V85-L309 HydrophobicContact CB-CD2 3.92Å; V85-L309 HydrophobicContact CG2-CD2 3.75Å; V85-S310 WeakPolarHBondContact O-CB 3.37Å; V85-S310 PolarHBondContact O-N 2.52Å; V85-S310 VanDerWaalsContact O-N 3.16Å; V85-S310 PolarHBondContact O-OG 3.49Å; V85-Y313 HydrophobicContact CB-CE2 4.2Å; V85-Y313 HydrophobicContact CG1-CE2 3.79Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.49Å
86	W	98.9	Very high	98.8	Very high	9 Å²	9	46.6 Å²	46.6	3%	0.034	26%	0.261	C	S	.	.			trans	-127.1	154.6	176.4	-67.8	95.1	0	0	0	110	V74 L75 I84 G88 T89 P311 E312 V325 L326	V74-W86 HydrophobicContact CB-CD2 4.37Å; V74-W86 HydrophobicContact CB-CZ2 4.12Å; V74-W86 HydrophobicContact CG1-CD2 4.34Å; V74-W86 HydrophobicContact CG1-CE3 4.45Å; V74-W86 HydrophobicContact CG1-CH2 3.98Å; V74-W86 HydrophobicContact CG1-CZ2 3.87Å; V74-W86 HydrophobicContact CG1-CZ3 4.27Å; V74-W86 HydrophobicContact CG2-CD2 3.98Å; V74-W86 HydrophobicContact CG2-CG 3.98Å; L75-W86 PolarHBondContact O-NE1 3.44Å; L75-W86 VanDerWaalsContact O-NE1 3.11Å; I84-W86 VanDerWaalsContact CG2-NE1 3.29Å; I84-W86 VanDerWaalsContact O-CD1 3.29Å; I84-W86 PolarHBondContact O-N 3.2Å; W86-G88 PolarHBondContact O-N 3.29Å; W86-T89 HydrophobicContact CB-CG2 3.81Å; W86-T89 PolarHBondContact N-OG1 2.54Å; W86-T89 WeakPolarHBondContact O-CG2 3.46Å; W86-T89 PolarHBondContact O-N 2.95Å; W86-T89 PolarHBondContact O-OG1 3.47Å; W86-P311 VanDerWaalsContact CH2-CD 3.47Å; W86-P311 HydrophobicContact CH2-CG 4.37Å; W86-E312 HydrophobicContact CE3-CG 4.07Å; W86-E312 HydrophobicContact CZ3-CG 4.29Å; W86-V325 HydrophobicContact CH2-CG2 4.39Å; W86-V325 HydrophobicContact CZ3-CG2 4.33Å; W86-L326 HydrophobicContact CH2-CD2 4.35Å; W86-L326 HydrophobicContact CZ3-CD2 3.74Å
87	E	98.9	Very high	98.7	Very high	54 Å²	54	46.5 Å²	46.5	25%	0.252	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	131	170.3	-175.2	57.4	-157.3	0	0	110.9	R71 E312 R327 K328 R330	R71-E87 WeakPolarHBondContact CD-O 3.44Å; R71-E87 PolarHBondContact NH1-O 3.26Å; E87-E312 WeakPolarHBondContact CB-OE1 3.37Å; E87-E312 WeakPolarHBondContact CB-OE2 3.42Å; E87-E312 PolarHBondContact N-OE1 2.89Å; E87-E312 PolarHBondContact N-OE2 3.47Å; E87-R327 HydrophobicContact CB-CB 3.88Å; E87-R327 HydrophobicContact CG-CB 3.96Å; E87-K328 HydrophobicContact CB-CD 4.48Å; E87-K328 HydrophobicContact CG-CD 4.05Å; E87-K328 HydrophobicContact CG-CG 4.23Å; E87-K328 WeakPolarHBondContact OE2-CD 3.37Å; E87-R330 IonicContact OE2-CZ 2.63Å; E87-R330 IonicContact OE2-NH1 2.65Å; E87-R330 IonicContact OE2-NH2 3.79Å; E87-R330 PolarHBondContact OE2-NH2 3Å
88	G	98.4	Very high	98.6	Very high	33 Å²	33	47.1 Å²	47.1	34%	0.34	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-4	-176	0	0	0	0	0	115.4	C70 W86	C70-G88 WeakPolarHBondContact CB-O 3.39Å; W86-G88 PolarHBondContact O-N 3.29Å
89	T	98.8	Very high	98.6	Very high	45 Å²	45	47.9 Å²	47.9	28%	0.276	26%	0.26	S	S	.	.	S	Bend	trans	-91.7	-6.6	177.8	69.5	0	0	0	0	114	R71 V76 W86	R71-T89 HydrophobicContact CG-CG2 4.09Å; V76-T89 HydrophobicContact CB-CG2 4.17Å; V76-T89 HydrophobicContact CG1-CG2 3.73Å; W86-T89 HydrophobicContact CB-CG2 3.81Å; W86-T89 PolarHBondContact N-OG1 2.54Å; W86-T89 WeakPolarHBondContact O-CG2 3.46Å; W86-T89 PolarHBondContact O-N 2.95Å; W86-T89 PolarHBondContact O-OG1 3.47Å
90	F	98.8	Very high	98.5	Very high	47 Å²	47	48.3 Å²	48.3	21%	0.206	25%	0.247	C	C	.	.			trans	-137.7	155	-177	60.1	-87.1	0	0	0	111.5	V85 I92 L95 E213	V85-F90 HydrophobicContact CG1-CD1 4.1Å; V85-F90 HydrophobicContact CG1-CE1 4.04Å; F90-I92 HydrophobicContact CD2-CB 4.19Å; F90-I92 HydrophobicContact CD2-CD1 4.42Å; F90-I92 HydrophobicContact CE2-CB 4.1Å; F90-I92 HydrophobicContact CE2-CD1 4.23Å; F90-L95 HydrophobicContact CB-CD1 3.79Å; F90-L95 HydrophobicContact CD2-CD1 4.07Å; F90-L95 HydrophobicContact CG-CD1 4.24Å; F90-E213 HydrophobicContact CD1-CB 4.17Å; F90-E213 HydrophobicContact CD1-CG 4.2Å; F90-E213 HydrophobicContact CD2-CB 3.86Å; F90-E213 HydrophobicContact CD2-CG 4.25Å; F90-E213 HydrophobicContact CE1-CB 4.34Å; F90-E213 HydrophobicContact CE1-CG 3.89Å; F90-E213 HydrophobicContact CE2-CB 4.04Å; F90-E213 HydrophobicContact CE2-CG 3.93Å; F90-E213 HydrophobicContact CG-CB 3.94Å; F90-E213 HydrophobicContact CG-CG 4.38Å; F90-E213 HydrophobicContact CZ-CB 4.28Å; F90-E213 HydrophobicContact CZ-CG 3.74Å
91	N	98.8	Very high	98.3	Very high	49 Å²	49	48 Å²	48	26%	0.262	25%	0.25	S	C	.	.			trans	-105.3	112.8	165.5	-179.8	-42.7	0	0	0	107.6	D93 I94 L95	N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.16Å; N91-D93 WeakPolarHBondContact OD1-CB 3.35Å; N91-D93 PolarHBondContact OD1-N 3.35Å; N91-I94 HydrophobicContact CB-CD1 4Å; N91-I94 HydrophobicContact CB-CG1 4.22Å; N91-I94 PolarHBondContact O-N 2.95Å; N91-I94 PolarHBondContact OD1-N 2.97Å; N91-L95 WeakPolarHBondContact O-CG 3.36Å; N91-L95 PolarHBondContact O-N 3.41Å
92	I	98.6	Very high	98.2	Very high	42 Å²	42	45.7 Å²	45.7	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-27.9	-172.7	-166.4	54.2	0	0	0	112.9	F90 L95 N96 H209 V212 E213	F90-I92 HydrophobicContact CD2-CB 4.19Å; F90-I92 HydrophobicContact CD2-CD1 4.42Å; F90-I92 HydrophobicContact CE2-CB 4.1Å; F90-I92 HydrophobicContact CE2-CD1 4.23Å; I92-L95 PolarHBondContact O-N 2.91Å; I92-N96 WeakPolarHBondContact O-CB 3.25Å; I92-N96 VanDerWaalsContact O-CG 3.22Å; I92-N96 PolarHBondContact O-N 2.92Å; I92-N96 PolarHBondContact O-ND2 3.45Å; I92-H209 WeakPolarHBondContact CD1-NE2 3.44Å; I92-V212 HydrophobicContact CD1-CG2 4.23Å; I92-E213 WeakPolarHBondContact CD1-OE2 3.47Å
93	D	98.5	Very high	98.1	Very high	98 Å²	98	50.7 Å²	50.7	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-44.1	179.4	-58.2	-40.2	0	0	0	110.8	M59 N91 N96 E97	M59-D93 HydrophobicContact CE-CB 3.86Å; N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.16Å; N91-D93 WeakPolarHBondContact OD1-CB 3.35Å; N91-D93 PolarHBondContact OD1-N 3.35Å; D93-N96 PolarHBondContact O-N 3.31Å; D93-E97 PolarHBondContact O-N 2.85Å
94	I	98.5	Very high	98	Very high	38 Å²	38	48 Å²	48	20%	0.195	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-46.9	177.6	-61.1	177	0	0	0	110	M59 Y61 N91 E97 Q98	M59-I94 HydrophobicContact CE-CG1 4.14Å; M59-I94 HydrophobicContact SD-CG1 4.32Å; Y61-I94 HydrophobicContact CD1-CD1 4Å; Y61-I94 HydrophobicContact CD1-CG1 4.17Å; Y61-I94 HydrophobicContact CD2-CD1 4.21Å; Y61-I94 HydrophobicContact CE1-CD1 3.76Å; Y61-I94 HydrophobicContact CE1-CG1 4.09Å; Y61-I94 HydrophobicContact CE2-CD1 4Å; Y61-I94 HydrophobicContact CG-CD1 4.23Å; N91-I94 HydrophobicContact CB-CD1 4Å; N91-I94 HydrophobicContact CB-CG1 4.22Å; N91-I94 PolarHBondContact O-N 2.95Å; N91-I94 PolarHBondContact OD1-N 2.97Å; I94-E97 PolarHBondContact O-N 2.62Å; I94-Q98 WeakPolarHBondContact O-CG 3.42Å; I94-Q98 PolarHBondContact O-N 3Å
95	L	98.6	Very high	98	Very high	29 Å²	29	48.8 Å²	48.8	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-43.2	179.4	-64.3	174.8	0	0	0	111.3	F90 N91 I92 E97 Q98 F99 V212 E213	F90-L95 HydrophobicContact CB-CD1 3.79Å; F90-L95 HydrophobicContact CD2-CD1 4.07Å; F90-L95 HydrophobicContact CG-CD1 4.24Å; N91-L95 WeakPolarHBondContact O-CG 3.36Å; N91-L95 PolarHBondContact O-N 3.41Å; I92-L95 PolarHBondContact O-N 2.91Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.15Å; L95-Q98 PolarHBondContact O-N 3.11Å; L95-Q98 VanDerWaalsContact O-N 3.17Å; L95-F99 WeakPolarHBondContact O-CD2 3.46Å; L95-F99 PolarHBondContact O-N 2.98Å; L95-V212 HydrophobicContact CB-CG2 3.84Å; L95-E213 HydrophobicContact CD1-CB 3.6Å
96	N	98.6	Very high	98	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-42.5	177.1	-83.2	-26.4	0	0	0	112	I92 D93 R100 H135 V212	I92-N96 WeakPolarHBondContact O-CB 3.25Å; I92-N96 VanDerWaalsContact O-CG 3.22Å; I92-N96 PolarHBondContact O-N 2.92Å; I92-N96 PolarHBondContact O-ND2 3.45Å; D93-N96 PolarHBondContact O-N 3.31Å; N96-R100 WeakPolarHBondContact O-CB 3.45Å; N96-R100 VanDerWaalsContact O-CG 3.24Å; N96-R100 WeakPolarHBondContact O-CG 3.48Å; N96-R100 PolarHBondContact O-N 3.34Å; N96-R100 PolarHBondContact O-NE 3.34Å; N96-H135 PolarHBondContact OD1-NE2 3.37Å; N96-V212 WeakPolarHBondContact OD1-CG2 3.48Å
97	E	97.9	Very high	98	Very high	40 Å²	40	48.1 Å²	48.1	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-48.6	173.7	-73.3	-63.1	157.9	0	0	111.3	L56 P57 M59 D93 I94 L95 F99 R100 L101	L56-E97 HydrophobicContact CD2-CB 3.67Å; P57-E97 HydrophobicContact CG-CG 4.41Å; M59-E97 HydrophobicContact CE-CG 3.84Å; M59-E97 HydrophobicContact SD-CB 4.44Å; M59-E97 HydrophobicContact SD-CG 3.99Å; D93-E97 PolarHBondContact O-N 2.85Å; I94-E97 PolarHBondContact O-N 2.62Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.15Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.24Å; E97-R100 PolarHBondContact O-N 2.67Å; E97-R100 IonicContact OE1-CZ 2.93Å; E97-R100 IonicContact OE1-NH1 3.57Å; E97-R100 IonicContact OE1-NH2 2.74Å; E97-R100 PolarHBondContact OE1-NH2 3.43Å; E97-R100 IonicContact OE2-NH2 2.83Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 VanDerWaalsContact O-CG 3.23Å; E97-L101 WeakPolarHBondContact O-CG 3.13Å; E97-L101 PolarHBondContact O-N 2.82Å
98	Q	97	Very high	98	Very high	77 Å²	77	45.5 Å²	45.5	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-55.9	-44.2	-179.1	-73.6	176.4	-31.7	0	0	113.5	L56 I94 L95 Q102	L56-Q98 HydrophobicContact CD1-CG 4.21Å; L56-Q98 HydrophobicContact CD2-CG 3.9Å; I94-Q98 WeakPolarHBondContact O-CG 3.42Å; I94-Q98 PolarHBondContact O-N 3Å; L95-Q98 PolarHBondContact O-N 3.11Å; L95-Q98 VanDerWaalsContact O-N 3.17Å; Q98-Q102 PolarHBondContact O-NE2 3.01Å
99	F	97.7	Very high	98	Very high	19 Å²	19	44 Å²	44	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-82.9	-31.1	-178.9	-75.4	-84.6	0	0	0	112.8	L95 E97 Q102 N103 T104 Y196 V212 L215	L95-F99 WeakPolarHBondContact O-CD2 3.46Å; L95-F99 PolarHBondContact O-N 2.98Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.24Å; F99-Q102 PolarHBondContact O-N 2.76Å; F99-N103 PolarHBondContact O-N 3.22Å; F99-T104 HydrophobicContact CD1-CG2 4.1Å; F99-T104 PolarHBondContact O-N 2.88Å; F99-T104 PolarHBondContact O-OG1 3.43Å; F99-T104 VanDerWaalsContact O-OG1 3.06Å; F99-Y196 HydrophobicContact CE1-CE2 4.07Å; F99-V212 HydrophobicContact CB-CB 4.2Å; F99-V212 HydrophobicContact CB-CG1 3.95Å; F99-V212 HydrophobicContact CB-CG2 4.49Å; F99-V212 HydrophobicContact CD2-CB 3.63Å; F99-V212 HydrophobicContact CD2-CG1 4.31Å; F99-V212 HydrophobicContact CD2-CG2 3.87Å; F99-V212 HydrophobicContact CE2-CB 4.14Å; F99-V212 HydrophobicContact CG-CB 3.93Å; F99-V212 HydrophobicContact CG-CG1 4.11Å; F99-V212 HydrophobicContact CG-CG2 4.44Å; F99-L215 HydrophobicContact CD1-CD1 3.94Å; F99-L215 HydrophobicContact CE1-CB 3.78Å; F99-L215 HydrophobicContact CE1-CD1 3.93Å; F99-L215 HydrophobicContact CZ-CB 3.78Å; F99-L215 HydrophobicContact CZ-CD1 4.49Å
100	R	96.4	Very high	98	Very high	122 Å²	122	41.9 Å²	41.9	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-39	173.5	-79.4	-172.4	-68	142.6	-2.9	112.4	N96 E97 Q102 N103	N96-R100 WeakPolarHBondContact O-CB 3.45Å; N96-R100 VanDerWaalsContact O-CG 3.24Å; N96-R100 WeakPolarHBondContact O-CG 3.48Å; N96-R100 PolarHBondContact O-N 3.34Å; N96-R100 PolarHBondContact O-NE 3.34Å; E97-R100 PolarHBondContact O-N 2.67Å; E97-R100 IonicContact OE1-CZ 2.93Å; E97-R100 IonicContact OE1-NH1 3.57Å; E97-R100 IonicContact OE1-NH2 2.74Å; E97-R100 PolarHBondContact OE1-NH2 3.43Å; E97-R100 IonicContact OE2-NH2 2.83Å; R100-Q102 PolarHBondContact O-N 3.37Å; R100-N103 WeakPolarHBondContact O-CA 3.39Å; R100-N103 PolarHBondContact O-N 3.28Å
101	L	96	Very high	98	Very high	59 Å²	59	40.5 Å²	40.5	31%	0.309	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.3	176.1	-66.2	172.8	0	0	0	112.7	V54 L56 E97 N103	V54-L101 HydrophobicContact CB-CB 4.19Å; V54-L101 HydrophobicContact CB-CD1 4.34Å; V54-L101 HydrophobicContact CG1-CB 4.07Å; V54-L101 HydrophobicContact CG1-CD1 3.9Å; V54-L101 HydrophobicContact CG1-CD2 3.79Å; V54-L101 HydrophobicContact CG1-CG 4.11Å; L56-L101 HydrophobicContact CD2-CD1 3.85Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 VanDerWaalsContact O-CG 3.23Å; E97-L101 WeakPolarHBondContact O-CG 3.13Å; E97-L101 PolarHBondContact O-N 2.82Å; L101-N103 VanDerWaalsContact C-N 3.35Å
102	Q	95.3	Very high	98	Very high	98 Å²	98	38.2 Å²	38.2	46%	0.458	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.2	172.9	-68.4	173.5	64.4	0	0	112.9	Q98 F99 R100 T104	Q98-Q102 PolarHBondContact O-NE2 3.01Å; F99-Q102 PolarHBondContact O-N 2.76Å; R100-Q102 PolarHBondContact O-N 3.37Å; Q102-T104 PolarHBondContact O-N 3.44Å
103	N	96.9	Very high	98	Very high	108 Å²	108	36.6 Å²	36.6	58%	0.578	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.3	-175.5	-169.3	39.4	0	0	0	113	F99 R100 L101 T105 R136	F99-N103 PolarHBondContact O-N 3.22Å; R100-N103 WeakPolarHBondContact O-CA 3.39Å; R100-N103 PolarHBondContact O-N 3.28Å; L101-N103 VanDerWaalsContact C-N 3.35Å; N103-T105 PolarHBondContact O-N 2.62Å; N103-R136 VanDerWaalsContact OD1-CD 3.27Å; N103-R136 WeakPolarHBondContact OD1-CD 3.31Å
104	T	98.1	Very high	98	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	17%	0.165	C	C	.	.			trans	-60.3	133.2	-171.5	-58.2	0	0	0	0	112.4	F99 Q102 I106 D195 Y196 L215	F99-T104 HydrophobicContact CD1-CG2 4.1Å; F99-T104 PolarHBondContact O-N 2.88Å; F99-T104 PolarHBondContact O-OG1 3.43Å; F99-T104 VanDerWaalsContact O-OG1 3.06Å; Q102-T104 PolarHBondContact O-N 3.44Å; T104-I106 HydrophobicContact CG2-CD1 3.98Å; T104-I106 HydrophobicContact CG2-CG1 4.27Å; T104-D195 WeakPolarHBondContact CA-OD2 3.29Å; T104-D195 HydrophobicContact CG2-CB 4.26Å; T104-Y196 HydrophobicContact CG2-CD2 3.67Å; T104-Y196 HydrophobicContact CG2-CE2 3.89Å; T104-L215 HydrophobicContact CG2-CD1 4.12Å
105	T	98.9	Very high	97.9	Very high	17 Å²	17	37 Å²	37	10%	0.104	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	173.3	-52.7	0	0	0	0	110.3	N103 R136 V194 D195 Y196	N103-T105 PolarHBondContact O-N 2.62Å; T105-R136 WeakPolarHBondContact CA-O 3.07Å; T105-R136 HydrophobicContact CG2-CB 3.9Å; T105-R136 WeakPolarHBondContact OG1-CD 3.13Å; T105-R136 PolarHBondContact OG1-NE 2.81Å; T105-V194 HydrophobicContact CG2-CB 4.42Å; T105-V194 HydrophobicContact CG2-CG1 3.94Å; T105-D195 PolarHBondContact N-OD2 3.46Å; T105-D195 PolarHBondContact O-N 3.18Å; T105-Y196 PolarHBondContact O-N 2.9Å
106	I	98.9	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.4	-176	-54.5	85.3	0	0	0	109.8	T104 F131 M132 H135 R136 V137 H138 V198 L215	T104-I106 HydrophobicContact CG2-CD1 3.98Å; T104-I106 HydrophobicContact CG2-CG1 4.27Å; I106-F131 HydrophobicContact CG2-CE1 4.23Å; I106-F131 HydrophobicContact CG2-CZ 3.86Å; I106-M132 HydrophobicContact CB-CG 4.32Å; I106-M132 HydrophobicContact CD1-CB 4.43Å; I106-M132 HydrophobicContact CD1-CG 4.37Å; I106-M132 HydrophobicContact CD1-SD 4.28Å; I106-M132 HydrophobicContact CG1-CG 4.23Å; I106-M132 HydrophobicContact CG1-SD 4.12Å; I106-M132 HydrophobicContact CG2-CE 4.31Å; I106-M132 HydrophobicContact CG2-CG 4.29Å; I106-H135 HydrophobicContact CD1-CB 3.85Å; I106-R136 PolarHBondContact N-O 2.63Å; I106-V137 WeakPolarHBondContact O-CA 3.36Å; I106-H138 PolarHBondContact O-N 3.03Å; I106-V198 HydrophobicContact CG2-CG2 3.98Å; I106-L215 HydrophobicContact CD1-CD1 4.24Å; I106-L215 HydrophobicContact CG1-CD1 3.78Å; I106-L215 HydrophobicContact CG1-CD2 4.17Å; I106-L215 HydrophobicContact CG2-CD2 4.32Å
107	G	98.9	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.6	169.3	0	0	0	0	0	111.6	H138 Y196 L197 V198	G107-H138 CarbonylContact C-O 3.5Å; G107-H138 VanDerWaalsContact CA-O 3.26Å; G107-H138 WeakPolarHBondContact CA-O 3.37Å; G107-Y196 PolarHBondContact N-O 2.9Å; G107-L197 CarbonylContact O-C 3.31Å; G107-L197 WeakPolarHBondContact O-CA 3.37Å; G107-V198 PolarHBondContact O-N 3.32Å
108	L	98.9	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.5	171.9	-175.7	64.4	0	0	0	109.5	F123 F131 H138 Y139 Y140 V198 V200 F206	L108-F123 HydrophobicContact CD2-CE1 3.94Å; L108-F123 HydrophobicContact CD2-CZ 3.78Å; L108-F123 HydrophobicContact CG-CZ 4.32Å; L108-F131 HydrophobicContact CB-CE1 3.82Å; L108-F131 HydrophobicContact CB-CZ 4.08Å; L108-F131 HydrophobicContact CD1-CE1 4.32Å; L108-F131 HydrophobicContact CD1-CE2 4.12Å; L108-F131 HydrophobicContact CD1-CZ 3.87Å; L108-F131 HydrophobicContact CD2-CD1 3.98Å; L108-F131 HydrophobicContact CD2-CE1 3.99Å; L108-F131 HydrophobicContact CD2-CG 4.29Å; L108-F131 HydrophobicContact CD2-CZ 4.3Å; L108-F131 HydrophobicContact CG-CE1 4.27Å; L108-F131 HydrophobicContact CG-CZ 4.32Å; L108-H138 PolarHBondContact N-O 3.43Å; L108-Y139 HydrophobicContact CB-CD1 3.98Å; L108-Y139 HydrophobicContact CB-CE1 4.45Å; L108-Y139 HydrophobicContact CD2-CD1 3.77Å; L108-Y139 HydrophobicContact CD2-CE1 3.69Å; L108-Y139 HydrophobicContact CG-CD1 4.34Å; L108-Y140 PolarHBondContact O-N 3.29Å; L108-V198 WeakPolarHBondContact CA-O 3.25Å; L108-V198 HydrophobicContact CD1-CB 3.78Å; L108-V198 HydrophobicContact CD1-CG1 3.62Å; L108-V200 HydrophobicContact CD1-CG1 4.36Å; L108-V200 HydrophobicContact CD1-CG2 3.66Å; L108-V200 HydrophobicContact CG-CG2 4.33Å; L108-F206 HydrophobicContact CD2-CZ 4.36Å
109	T	98.9	Very high	97.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.1	177.6	68.6	0	0	0	0	110.5	Y140 F142 F190 L197 V198 C199 V200	T109-Y140 HydrophobicContact CG2-CD2 4.28Å; T109-F142 HydrophobicContact CG2-CE2 4.14Å; T109-F190 HydrophobicContact CG2-CE2 4.11Å; T109-F190 HydrophobicContact CG2-CZ 3.84Å; T109-L197 HydrophobicContact CG2-CD2 3.88Å; T109-V198 PolarHBondContact N-O 2.95Å; T109-C199 WeakPolarHBondContact OG1-CA 3.3Å; T109-C199 PolarHBondContact OG1-SG 3.24Å; T109-V200 PolarHBondContact O-N 3.41Å
110	V	98.8	Very high	98	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.3	178.9	63.8	0	0	0	0	110.2	L120 F123 Y140 F142 V202	V110-L120 HydrophobicContact CG1-CD2 4.32Å; V110-F123 HydrophobicContact CB-CE1 3.96Å; V110-F123 HydrophobicContact CB-CZ 3.96Å; V110-F123 HydrophobicContact CG1-CD1 4.46Å; V110-F123 HydrophobicContact CG1-CE1 3.91Å; V110-F123 HydrophobicContact CG1-CZ 4.42Å; V110-F123 HydrophobicContact CG2-CD1 4.32Å; V110-F123 HydrophobicContact CG2-CE1 3.95Å; V110-F123 HydrophobicContact CG2-CE2 4.14Å; V110-F123 HydrophobicContact CG2-CZ 3.84Å; V110-Y140 PolarHBondContact N-O 3.43Å; V110-F142 PolarHBondContact O-N 2.9Å; V110-V202 HydrophobicContact CG2-CB 3.35Å; V110-V202 HydrophobicContact CG2-CG2 3.46Å; V110-V202 VanDerWaalsContact CG2-CG2 3.46Å
111	F	98.8	Very high	98.1	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119	-178.4	-73.9	-100.1	0	0	0	110.9	F142 R178 M181 I182 V202	F111-F142 HydrophobicContact CD1-CB 3.34Å; F111-F142 HydrophobicContact CD1-CD1 4.48Å; F111-F142 HydrophobicContact CD1-CD2 4.48Å; F111-F142 AromaticContact CD1-CG 3.91Å; F111-F142 HydrophobicContact CD1-CG 3.91Å; F111-F142 HydrophobicContact CD2-CB 4.38Å; F111-F142 HydrophobicContact CD2-CD2 4.28Å; F111-F142 HydrophobicContact CE1-CB 3.42Å; F111-F142 VanDerWaalsContact CE1-CB 3.42Å; F111-F142 AromaticContact CE1-CD1 3.67Å; F111-F142 HydrophobicContact CE1-CD1 3.67Å; F111-F142 HydrophobicContact CE1-CD2 4.02Å; F111-F142 HydrophobicContact CE1-CE1 4.37Å; F111-F142 AromaticContact CE1-CG 3.45Å; F111-F142 HydrophobicContact CE1-CG 3.45Å; F111-F142 VanDerWaalsContact CE1-CG 3.45Å; F111-F142 HydrophobicContact CE2-CB 4.45Å; F111-F142 AromaticContact CE2-CD2 3.83Å; F111-F142 HydrophobicContact CE2-CD2 3.83Å; F111-F142 HydrophobicContact CE2-CE2 4.21Å; F111-F142 HydrophobicContact CE2-CG 4.13Å; F111-F142 HydrophobicContact CG-CB 3.86Å; F111-F142 HydrophobicContact CG-CG 4.41Å; F111-F142 HydrophobicContact CZ-CB 4Å; F111-F142 AromaticContact CZ-CD1 3.85Å; F111-F142 HydrophobicContact CZ-CD1 3.85Å; F111-F142 AromaticContact CZ-CD2 3.68Å; F111-F142 HydrophobicContact CZ-CD2 3.68Å; F111-F142 HydrophobicContact CZ-CE1 4.15Å; F111-F142 HydrophobicContact CZ-CE2 4.02Å; F111-F142 AromaticContact CZ-CG 3.58Å; F111-F142 HydrophobicContact CZ-CG 3.58Å; F111-F142 HydrophobicContact CZ-CZ 4.23Å; F111-R178 HydrophobicContact CB-CG 4.31Å; F111-R178 HydrophobicContact CD1-CG 3.86Å; F111-R178 HydrophobicContact CD2-CB 4.1Å; F111-R178 HydrophobicContact CD2-CG 3.65Å; F111-R178 HydrophobicContact CE1-CB 4.36Å; F111-R178 HydrophobicContact CE1-CG 4.06Å; F111-R178 HydrophobicContact CE2-CB 3.8Å; F111-R178 HydrophobicContact CE2-CG 3.86Å; F111-R178 HydrophobicContact CG-CB 4.5Å; F111-R178 HydrophobicContact CG-CG 3.65Å; F111-R178 HydrophobicContact CZ-CB 3.95Å; F111-R178 HydrophobicContact CZ-CG 4.06Å; F111-M181 HydrophobicContact CD1-SD 4.37Å; F111-M181 HydrophobicContact CE1-CB 3.94Å; F111-M181 HydrophobicContact CE1-CG 4.4Å; F111-M181 HydrophobicContact CE1-SD 3.58Å; F111-M181 VanDerWaalsContact CE1-SD 3.58Å; F111-M181 HydrophobicContact CZ-CB 3.9Å; F111-M181 HydrophobicContact CZ-SD 4.47Å; F111-I182 HydrophobicContact CE2-CD1 3.9Å; F111-I182 HydrophobicContact CE2-CG1 3.83Å; F111-I182 HydrophobicContact CZ-CD1 4.47Å; F111-I182 HydrophobicContact CZ-CG1 4.01Å; F111-V202 WeakPolarHBondContact O-CB 3.4Å; F111-V202 WeakPolarHBondContact O-CG1 3.3Å
112	A	98.3	Very high	98.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	80.2	179.6	0	0	0	0	0	109.7	V117 L120 F142 T143 V202	A112-V117 HydrophobicContact CB-CG1 4.26Å; A112-V117 WeakPolarHBondContact O-CG1 3.44Å; A112-L120 HydrophobicContact CB-CD1 3.49Å; A112-L120 VanDerWaalsContact CB-CD1 3.49Å; A112-L120 HydrophobicContact CB-CD2 3.66Å; A112-L120 HydrophobicContact CB-CG 3.47Å; A112-L120 VanDerWaalsContact CB-CG 3.47Å; A112-F142 PolarHBondContact N-O 3.45Å; A112-T143 VanDerWaalsContact O-CB 3.31Å; A112-T143 WeakPolarHBondContact O-CB 3.31Å; A112-T143 PolarHBondContact O-OG1 3.29Å; A112-V202 HydrophobicContact CB-CG2 4.29Å
113	I	98.3	Very high	98.4	Very high	8 Å²	8	31 Å²	31	4%	0.041	16%	0.162	C	C	.	.			trans	-104.2	136	-173.5	-57.1	-67.5	0	0	0	109.9	K115 Y116 D144 V165 A167 V174	I113-K115 PolarHBondContact O-N 2.96Å; I113-Y116 WeakPolarHBondContact O-CB 3.32Å; I113-Y116 PolarHBondContact O-N 3.15Å; I113-D144 WeakPolarHBondContact CA-OD1 3.41Å; I113-D144 HydrophobicContact CD1-CB 4.39Å; I113-V165 HydrophobicContact CD1-CG2 3.6Å; I113-A167 HydrophobicContact CG2-CB 3.79Å; I113-V174 HydrophobicContact CB-CG1 3.8Å; I113-V174 HydrophobicContact CG1-CG1 4.02Å; I113-V174 HydrophobicContact CG2-CG1 3.98Å; I113-V174 HydrophobicContact CG2-CG2 4.03Å
114	K	97.5	Very high	98.5	Very high	60 Å²	60	25.9 Å²	25.9	26%	0.261	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	55	-128	-175.9	-56.3	170.7	-169.1	173.6	0	111.5	Y116 V117 D144 Q145 A167 Y168 K169	K114-Y116 PolarHBondContact O-N 2.85Å; K114-Y116 VanDerWaalsContact O-N 3.11Å; K114-V117 WeakPolarHBondContact O-CG2 3.47Å; K114-V117 PolarHBondContact O-N 3.49Å; K114-D144 PolarHBondContact N-OD1 3.06Å; K114-D144 PolarHBondContact N-OD2 3.35Å; K114-Q145 PolarHBondContact O-NE2 3.15Å; K114-A167 HydrophobicContact CG-CB 4.21Å; K114-Y168 WeakPolarHBondContact CE-O 3.24Å; K114-Y168 PolarHBondContact NZ-O 2.93Å; K114-K169 PolarHBondContact NZ-O 3.17Å
115	K	97.9	Very high	98.5	Very high	85 Å²	85	29 Å²	29	37%	0.37	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-64.3	-14.2	-178	-64.1	-178	175.7	178.4	0	113.6	I113 V117 A118 A340 V341 N343 P344	I113-K115 PolarHBondContact O-N 2.96Å; K115-V117 PolarHBondContact O-N 3.47Å; K115-A118 WeakPolarHBondContact O-CB 3.33Å; K115-A118 PolarHBondContact O-N 3.46Å; K115-A340 WeakPolarHBondContact CD-O 3.49Å; K115-A340 PolarHBondContact NZ-O 3.39Å; K115-A340 VanDerWaalsContact NZ-O 3.15Å; K115-V341 HydrophobicContact CB-CG2 4.14Å; K115-N343 VanDerWaalsContact CE-O 3.24Å; K115-N343 WeakPolarHBondContact CE-O 3.22Å; K115-N343 PolarHBondContact NZ-O 2.63Å; K115-P344 VanDerWaalsContact CE-OXT 3.29Å; K115-P344 WeakPolarHBondContact CE-OXT 3.41Å; K115-P344 PolarHBondContact NZ-OXT 2.89Å
116	Y	98.1	Very high	98.5	Very high	36 Å²	36	28.7 Å²	28.7	14%	0.141	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-71.6	-10.6	-179.9	-75	-104.9	0	0	0	113.6	I113 K114 A118 F119 V202 D203 V341 R342	I113-Y116 WeakPolarHBondContact O-CB 3.32Å; I113-Y116 PolarHBondContact O-N 3.15Å; K114-Y116 PolarHBondContact O-N 2.85Å; K114-Y116 VanDerWaalsContact O-N 3.11Å; Y116-A118 PolarHBondContact O-N 3.14Å; Y116-A118 VanDerWaalsContact O-N 3.15Å; Y116-F119 AromaticContact CD1-CD2 3.78Å; Y116-F119 HydrophobicContact CD1-CD2 3.78Å; Y116-F119 AromaticContact CD1-CE2 3.66Å; Y116-F119 HydrophobicContact CD1-CE2 3.66Å; Y116-F119 HydrophobicContact CE1-CE2 4.1Å; Y116-F119 HydrophobicContact CG-CD2 4.22Å; Y116-F119 HydrophobicContact CG-CE2 4.14Å; Y116-F119 WeakPolarHBondContact O-CD2 3.46Å; Y116-F119 PolarHBondContact O-N 2.93Å; Y116-F119 VanDerWaalsContact O-N 3.12Å; Y116-V202 HydrophobicContact CD1-CG1 3.81Å; Y116-V202 HydrophobicContact CG-CG1 4.36Å; Y116-D203 HydrophobicContact CD1-CB 4.32Å; Y116-D203 HydrophobicContact CE1-CB 4.23Å; Y116-V341 HydrophobicContact CD2-CG2 4.13Å; Y116-V341 HydrophobicContact CE2-CG1 4.11Å; Y116-V341 HydrophobicContact CE2-CG2 3.91Å; Y116-R342 HydrophobicContact CE2-CG 4.41Å; Y116-R342 WeakPolarHBondContact OH-CG 3.47Å
117	V	98	Very high	98.5	Very high	25 Å²	25	28.7 Å²	28.7	15%	0.152	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56.8	-25.5	168.6	-61	0	0	0	0	112.9	A112 K114 K115 F119 L120 Q145 A148	A112-V117 HydrophobicContact CB-CG1 4.26Å; A112-V117 WeakPolarHBondContact O-CG1 3.44Å; K114-V117 WeakPolarHBondContact O-CG2 3.47Å; K114-V117 PolarHBondContact O-N 3.49Å; K115-V117 PolarHBondContact O-N 3.47Å; V117-F119 PolarHBondContact O-N 2.72Å; V117-L120 HydrophobicContact CB-CD1 4.44Å; V117-L120 WeakPolarHBondContact O-CB 3.47Å; V117-L120 PolarHBondContact O-N 2.7Å; V117-Q145 HydrophobicContact CG1-CB 4.35Å; V117-A148 HydrophobicContact CB-CB 4.13Å; V117-A148 HydrophobicContact CG1-CB 4.19Å; V117-A148 HydrophobicContact CG2-CB 4.04Å
118	A	97.9	Very high	98.5	Very high	82 Å²	82	30.3 Å²	30.3	68%	0.678	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-61.3	-25.1	177.3	0	0	0	0	0	113.7	K115 Y116	K115-A118 WeakPolarHBondContact O-CB 3.33Å; K115-A118 PolarHBondContact O-N 3.46Å; Y116-A118 PolarHBondContact O-N 3.14Å; Y116-A118 VanDerWaalsContact O-N 3.15Å
119	F	98.4	Very high	98.5	Very high	28 Å²	28	37.2 Å²	37.2	12%	0.123	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-85.2	-19.6	-179.1	-58.9	-71.2	0	0	0	113.5	Y116 V117 K121 L122 F123 V202 D203 V334 K336 V341	Y116-F119 AromaticContact CD1-CD2 3.78Å; Y116-F119 HydrophobicContact CD1-CD2 3.78Å; Y116-F119 AromaticContact CD1-CE2 3.66Å; Y116-F119 HydrophobicContact CD1-CE2 3.66Å; Y116-F119 HydrophobicContact CE1-CE2 4.1Å; Y116-F119 HydrophobicContact CG-CD2 4.22Å; Y116-F119 HydrophobicContact CG-CE2 4.14Å; Y116-F119 WeakPolarHBondContact O-CD2 3.46Å; Y116-F119 PolarHBondContact O-N 2.93Å; Y116-F119 VanDerWaalsContact O-N 3.12Å; V117-F119 PolarHBondContact O-N 2.72Å; F119-K121 VanDerWaalsContact C-N 3.28Å; F119-K121 PolarHBondContact O-N 3.09Å; F119-L122 PolarHBondContact O-N 2.77Å; F119-F123 WeakPolarHBondContact O-CB 3.3Å; F119-F123 PolarHBondContact O-N 3.4Å; F119-V202 HydrophobicContact CB-CG1 4.32Å; F119-V202 HydrophobicContact CB-CG2 4.07Å; F119-V202 WeakPolarHBondContact CB-O 3.11Å; F119-V202 HydrophobicContact CD2-CG1 4.27Å; F119-D203 HydrophobicContact CD1-CB 4.22Å; F119-D203 HydrophobicContact CD2-CB 3.88Å; F119-D203 HydrophobicContact CE1-CB 4.22Å; F119-D203 HydrophobicContact CE2-CB 3.88Å; F119-D203 HydrophobicContact CG-CB 4.07Å; F119-D203 HydrophobicContact CZ-CB 4.05Å; F119-V334 HydrophobicContact CD1-CB 4.35Å; F119-V334 HydrophobicContact CD1-CG1 4.14Å; F119-V334 HydrophobicContact CE1-CB 4.37Å; F119-V334 HydrophobicContact CE1-CG1 4.02Å; F119-K336 HydrophobicContact CE1-CB 4.47Å; F119-K336 HydrophobicContact CZ-CB 4.04Å; F119-K336 HydrophobicContact CZ-CD 4.3Å; F119-V341 HydrophobicContact CE2-CG2 3.85Å; F119-V341 HydrophobicContact CZ-CG2 4.16Å
120	L	98.5	Very high	98.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-38.3	-171.2	-80.2	173.5	0	0	0	113.5	V110 A112 V117 F123 L124 V149 P150 V202	V110-L120 HydrophobicContact CG1-CD2 4.32Å; A112-L120 HydrophobicContact CB-CD1 3.49Å; A112-L120 VanDerWaalsContact CB-CD1 3.49Å; A112-L120 HydrophobicContact CB-CD2 3.66Å; A112-L120 HydrophobicContact CB-CG 3.47Å; A112-L120 VanDerWaalsContact CB-CG 3.47Å; V117-L120 HydrophobicContact CB-CD1 4.44Å; V117-L120 WeakPolarHBondContact O-CB 3.47Å; V117-L120 PolarHBondContact O-N 2.7Å; L120-F123 PolarHBondContact O-N 2.91Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.25Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.16Å; L120-V149 HydrophobicContact CD1-CB 4.49Å; L120-V149 HydrophobicContact CD1-CG1 4.4Å; L120-V149 HydrophobicContact CD1-CG2 4.15Å; L120-P150 HydrophobicContact CB-CG 3.86Å; L120-V202 HydrophobicContact CD2-CG2 3.8Å; L120-V202 HydrophobicContact CG-CG2 4.21Å
121	K	98.5	Very high	98.5	Very high	109 Å²	109	39.3 Å²	39.3	47%	0.474	19%	0.194	S	C	.	.	H	α-helix	trans	-63.9	-52.7	-175.9	-175.3	177.6	-179.3	-65.7	0	110.7	F119 L124 E125 P150	F119-K121 VanDerWaalsContact C-N 3.28Å; F119-K121 PolarHBondContact O-N 3.09Å; K121-L124 PolarHBondContact O-N 3.48Å; K121-E125 WeakPolarHBondContact CE-OE1 3.32Å; K121-E125 HydrophobicContact CG-CG 4.44Å; K121-E125 IonicContact NZ-OE1 2.89Å; K121-E125 PolarHBondContact NZ-OE1 2.87Å; K121-E125 IonicContact NZ-OE2 2.79Å; K121-E125 PolarHBondContact NZ-OE2 3.31Å; K121-E125 VanDerWaalsContact O-CB 3.29Å; K121-E125 WeakPolarHBondContact O-CB 3.41Å; K121-E125 VanDerWaalsContact O-CG 3.23Å; K121-E125 WeakPolarHBondContact O-CG 3.44Å; K121-E125 PolarHBondContact O-N 3.43Å; K121-P150 HydrophobicContact CB-CB 4.12Å; K121-P150 HydrophobicContact CB-CG 3.98Å; K121-P150 HydrophobicContact CG-CB 4.43Å
122	L	98.8	Very high	98.5	Very high	65 Å²	65	38.6 Å²	38.6	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-43.9	178.4	179.7	62.4	0	0	0	111.1	F119 T126 E205 V334	F119-L122 PolarHBondContact O-N 2.77Å; L122-T126 HydrophobicContact CD1-CG2 3.87Å; L122-T126 WeakPolarHBondContact O-CB 3.46Å; L122-T126 WeakPolarHBondContact O-CG2 3.41Å; L122-T126 PolarHBondContact O-N 3.06Å; L122-T126 PolarHBondContact O-OG1 3.35Å; L122-E205 HydrophobicContact CD2-CB 4.06Å; L122-E205 HydrophobicContact CG-CB 4Å; L122-V334 HydrophobicContact CD2-CG2 3.82Å
123	F	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-52.9	177.8	176.6	-87.2	0	0	0	111.9	L108 V110 F119 L120 T126 A127 V200 V202 F206 F331	L108-F123 HydrophobicContact CD2-CE1 3.94Å; L108-F123 HydrophobicContact CD2-CZ 3.78Å; L108-F123 HydrophobicContact CG-CZ 4.32Å; V110-F123 HydrophobicContact CB-CE1 3.96Å; V110-F123 HydrophobicContact CB-CZ 3.96Å; V110-F123 HydrophobicContact CG1-CD1 4.46Å; V110-F123 HydrophobicContact CG1-CE1 3.91Å; V110-F123 HydrophobicContact CG1-CZ 4.42Å; V110-F123 HydrophobicContact CG2-CD1 4.32Å; V110-F123 HydrophobicContact CG2-CE1 3.95Å; V110-F123 HydrophobicContact CG2-CE2 4.14Å; V110-F123 HydrophobicContact CG2-CZ 3.84Å; F119-F123 WeakPolarHBondContact O-CB 3.3Å; F119-F123 PolarHBondContact O-N 3.4Å; L120-F123 PolarHBondContact O-N 2.91Å; F123-T126 PolarHBondContact O-OG1 2.88Å; F123-T126 VanDerWaalsContact O-OG1 3.11Å; F123-A127 VanDerWaalsContact O-CB 3.26Å; F123-A127 WeakPolarHBondContact O-CB 3.44Å; F123-A127 PolarHBondContact O-N 3.19Å; F123-V200 HydrophobicContact CE2-CG2 3.69Å; F123-V200 HydrophobicContact CZ-CG2 3.53Å; F123-V202 HydrophobicContact CB-CG2 4.46Å; F123-V202 HydrophobicContact CG-CG2 4.44Å; F123-F206 HydrophobicContact CD2-CE2 4.23Å; F123-F206 AromaticContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CZ 4.38Å; F123-F206 HydrophobicContact CZ-CE2 4.02Å; F123-F206 HydrophobicContact CZ-CZ 4.44Å; F123-F331 HydrophobicContact CD2-CE2 4.28Å; F123-F331 AromaticContact CE2-CE2 3.95Å; F123-F331 HydrophobicContact CE2-CE2 3.95Å; F123-F331 AromaticContact CE2-CZ 3.98Å; F123-F331 HydrophobicContact CE2-CZ 3.98Å
124	L	98.8	Very high	98.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-42.4	-177.7	-69.9	171.1	0	0	0	112.1	L120 K121 T126 A127 E128 Y139 P150 V152 L160	L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.25Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.16Å; K121-L124 PolarHBondContact O-N 3.48Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.25Å; L124-A127 PolarHBondContact O-N 3.32Å; L124-E128 WeakPolarHBondContact O-CG 3.47Å; L124-E128 PolarHBondContact O-N 3.48Å; L124-Y139 HydrophobicContact CD2-CD1 4.02Å; L124-Y139 HydrophobicContact CD2-CE1 4.36Å; L124-Y139 HydrophobicContact CD2-CG 4.17Å; L124-P150 HydrophobicContact CD1-CG 4.31Å; L124-V152 HydrophobicContact CB-CB 4.29Å; L124-V152 HydrophobicContact CB-CG1 4.21Å; L124-V152 HydrophobicContact CB-CG2 3.92Å; L124-V152 HydrophobicContact CD1-CG2 4.09Å; L124-L160 HydrophobicContact CD1-CD2 4.11Å
125	E	98.8	Very high	98.5	Very high	69 Å²	69	43 Å²	43	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-34.9	179	-75.2	176.2	164.2	0	0	112.5	K121 V152	K121-E125 WeakPolarHBondContact CE-OE1 3.32Å; K121-E125 HydrophobicContact CG-CG 4.44Å; K121-E125 IonicContact NZ-OE1 2.89Å; K121-E125 PolarHBondContact NZ-OE1 2.87Å; K121-E125 IonicContact NZ-OE2 2.79Å; K121-E125 PolarHBondContact NZ-OE2 3.31Å; K121-E125 VanDerWaalsContact O-CB 3.29Å; K121-E125 WeakPolarHBondContact O-CB 3.41Å; K121-E125 VanDerWaalsContact O-CG 3.23Å; K121-E125 WeakPolarHBondContact O-CG 3.44Å; K121-E125 PolarHBondContact O-N 3.43Å; E125-V152 HydrophobicContact CG-CG1 3.88Å; E125-V152 HydrophobicContact CG-CG2 4.33Å
126	T	98.9	Very high	98.6	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-80.5	-34.9	175.6	55.8	0	0	0	0	112.1	L122 F123 L124 E128 K129 H130 E205 F206	L122-T126 HydrophobicContact CD1-CG2 3.87Å; L122-T126 WeakPolarHBondContact O-CB 3.46Å; L122-T126 WeakPolarHBondContact O-CG2 3.41Å; L122-T126 PolarHBondContact O-N 3.06Å; L122-T126 PolarHBondContact O-OG1 3.35Å; F123-T126 PolarHBondContact O-OG1 2.88Å; F123-T126 VanDerWaalsContact O-OG1 3.11Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.25Å; T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 2.76Å; T126-K129 PolarHBondContact O-N 3.48Å; T126-K129 VanDerWaalsContact O-N 3.08Å; T126-H130 PolarHBondContact O-CD2 2.91Å; T126-H130 PolarHBondContact O-N 3.37Å; T126-E205 HydrophobicContact CG2-CB 4.28Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.41Å; T126-F206 PolarHBondContact OG1-N 2.77Å
127	A	98.9	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-41.1	172.1	0	0	0	0	0	111.8	F123 L124 K129 H130 F131 Y139 F206	F123-A127 VanDerWaalsContact O-CB 3.26Å; F123-A127 WeakPolarHBondContact O-CB 3.44Å; F123-A127 PolarHBondContact O-N 3.19Å; L124-A127 PolarHBondContact O-N 3.32Å; A127-K129 PolarHBondContact O-N 2.93Å; A127-H130 PolarHBondContact O-N 2.74Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.18Å; A127-F131 VanDerWaalsContact O-CB 3.28Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.45Å; A127-Y139 HydrophobicContact CB-CE1 3.92Å; A127-F206 HydrophobicContact CB-CD2 3.77Å; A127-F206 HydrophobicContact CB-CE2 3.65Å; A127-F206 HydrophobicContact CB-CZ 4.45Å
128	E	98.8	Very high	98.7	Very high	34 Å²	34	41.7 Å²	41.7	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-29.3	175.5	-78	-59.4	108	0	0	113.6	L124 T126 Y139 L154 G155 R158	L124-E128 WeakPolarHBondContact O-CG 3.47Å; L124-E128 PolarHBondContact O-N 3.48Å; T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 2.76Å; E128-Y139 WeakPolarHBondContact OE1-CE2 3.32Å; E128-Y139 VanDerWaalsContact OE1-CZ 3.24Å; E128-Y139 PolarHBondContact OE1-OH 3.36Å; E128-L154 HydrophobicContact CG-CD2 4.02Å; E128-L154 WeakPolarHBondContact OE2-CA 2.99Å; E128-G155 PolarHBondContact OE2-N 3.04Å; E128-R158 IonicContact OE1-CZ 3.5Å; E128-R158 IonicContact OE1-NE 3.68Å; E128-R158 PolarHBondContact OE1-NE 2.92Å; E128-R158 IonicContact OE1-NH2 2.88Å; E128-R158 WeakPolarHBondContact OE2-CD 3.36Å; E128-R158 IonicContact OE2-NE 3.44Å; E128-R158 PolarHBondContact OE2-NE 3.41Å
129	K	98.8	Very high	98.7	Very high	144 Å²	144	37.8 Å²	37.8	63%	0.626	19%	0.193	S	C	*	.	H	α-helix	trans	-84.3	-26	-179.7	-65.1	175.4	-174.2	176.8	0	113.5	T126 A127 V133	T126-K129 PolarHBondContact O-N 3.48Å; T126-K129 VanDerWaalsContact O-N 3.08Å; A127-K129 PolarHBondContact O-N 2.93Å; K129-V133 WeakPolarHBondContact O-CG2 3.34Å
130	H	98.9	Very high	98.7	Very high	47 Å²	47	36.4 Å²	36.4	22%	0.218	19%	0.187	C	C	.	.	H	α-helix	trans	-134.4	-23.9	-160.7	-65	-55.2	0	0	0	115	T126 A127 F206 D208 V210	T126-H130 PolarHBondContact O-CD2 2.91Å; T126-H130 PolarHBondContact O-N 3.37Å; A127-H130 PolarHBondContact O-N 2.74Å; H130-F206 HydrophobicContact CB-CB 3.71Å; H130-F206 HydrophobicContact CB-CG 4.47Å; H130-F206 PolarHBondContact CD2-O 3.47Å; H130-F206 VanDerWaalsContact CD2-O 3.29Å; H130-D208 WeakPolarHBondContact CB-O 3.37Å; H130-V210 PolarHBondContact O-N 3.38Å
131	F	98.9	Very high	98.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-93.5	112.9	-174.4	-178.1	-103.1	0	0	0	111.3	I106 L108 A127 V133 V137 R158 V198 F206 V210	I106-F131 HydrophobicContact CG2-CE1 4.23Å; I106-F131 HydrophobicContact CG2-CZ 3.86Å; L108-F131 HydrophobicContact CB-CE1 3.82Å; L108-F131 HydrophobicContact CB-CZ 4.08Å; L108-F131 HydrophobicContact CD1-CE1 4.32Å; L108-F131 HydrophobicContact CD1-CE2 4.12Å; L108-F131 HydrophobicContact CD1-CZ 3.87Å; L108-F131 HydrophobicContact CD2-CD1 3.98Å; L108-F131 HydrophobicContact CD2-CE1 3.99Å; L108-F131 HydrophobicContact CD2-CG 4.29Å; L108-F131 HydrophobicContact CD2-CZ 4.3Å; L108-F131 HydrophobicContact CG-CE1 4.27Å; L108-F131 HydrophobicContact CG-CZ 4.32Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.18Å; A127-F131 VanDerWaalsContact O-CB 3.28Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.45Å; F131-V133 PolarHBondContact O-N 3.49Å; F131-V133 VanDerWaalsContact O-N 3.11Å; F131-V137 HydrophobicContact CD1-CG1 4.17Å; F131-V137 HydrophobicContact CD1-CG2 4.27Å; F131-V137 HydrophobicContact CE1-CG1 4.01Å; F131-V137 HydrophobicContact CE1-CG2 4.19Å; F131-R158 PolarHBondContact O-NH1 3.16Å; F131-R158 PolarHBondContact O-NH2 3.26Å; F131-V198 HydrophobicContact CE2-CB 4.37Å; F131-V198 HydrophobicContact CE2-CG1 4.23Å; F131-V198 HydrophobicContact CE2-CG2 4.25Å; F131-V198 HydrophobicContact CZ-CB 4.14Å; F131-V198 HydrophobicContact CZ-CG1 4.45Å; F131-V198 HydrophobicContact CZ-CG2 4.03Å; F131-F206 HydrophobicContact CB-CD1 4.44Å; F131-F206 HydrophobicContact CB-CE1 4.17Å; F131-F206 HydrophobicContact CB-CZ 4.35Å; F131-F206 AromaticContact CD2-CE1 3.94Å; F131-F206 HydrophobicContact CD2-CE1 3.94Å; F131-F206 HydrophobicContact CD2-CZ 4.21Å; F131-F206 HydrophobicContact CG-CE1 4.41Å; F131-F206 HydrophobicContact CG-CZ 4.47Å; F131-V210 CarbonylContact C-O 3.52Å; F131-V210 WeakPolarHBondContact CA-O 3.28Å; F131-V210 HydrophobicContact CD2-CB 4.37Å; F131-V210 HydrophobicContact CD2-CG1 3.99Å; F131-V210 HydrophobicContact CE2-CG1 4.33Å
132	M	98.8	Very high	98.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	52.3	37.9	171.6	-55.6	-69	174	0	0	112.9	I106 G134 H135 V137 R158 V210 G211 V212 I214 L215	I106-M132 HydrophobicContact CB-CG 4.32Å; I106-M132 HydrophobicContact CD1-CB 4.43Å; I106-M132 HydrophobicContact CD1-CG 4.37Å; I106-M132 HydrophobicContact CD1-SD 4.28Å; I106-M132 HydrophobicContact CG1-CG 4.23Å; I106-M132 HydrophobicContact CG1-SD 4.12Å; I106-M132 HydrophobicContact CG2-CE 4.31Å; I106-M132 HydrophobicContact CG2-CG 4.29Å; M132-G134 PolarHBondContact O-N 2.95Å; M132-H135 HydrophobicContact CB-CB 4.4Å; M132-H135 PolarHBondContact O-N 3.31Å; M132-V137 HydrophobicContact CB-CG2 3.66Å; M132-V137 HydrophobicContact CG-CG2 4.44Å; M132-R158 PolarHBondContact O-NH1 3.46Å; M132-V210 PolarHBondContact N-O 3.4Å; M132-G211 WeakPolarHBondContact CE-O 3.41Å; M132-V212 HydrophobicContact SD-CG1 4Å; M132-I214 HydrophobicContact CE-CD1 3.51Å; M132-I214 HydrophobicContact CE-CG1 3.65Å; M132-L215 HydrophobicContact CE-CD2 3.74Å; M132-L215 HydrophobicContact CE-CG 4.05Å; M132-L215 HydrophobicContact SD-CD1 4.46Å
133	V	98.6	Very high	98.8	Very high	82 Å²	82	28.2 Å²	28.2	50%	0.497	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	132.8	-178.8	179.8	0	0	0	0	109.4	K129 F131 H135	K129-V133 WeakPolarHBondContact O-CG2 3.34Å; F131-V133 PolarHBondContact O-N 3.49Å; F131-V133 VanDerWaalsContact O-N 3.11Å; V133-H135 VanDerWaalsContact C-N 3.34Å
134	G	97.7	Very high	98.7	Very high	66 Å²	66	30.2 Å²	30.2	68%	0.68	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-1.1	-175	0	0	0	0	0	115	M132	M132-G134 PolarHBondContact O-N 2.95Å
135	H	98.8	Very high	98.7	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.065	18%	0.176	C	C	.	.	S	Bend	trans	-115.6	164.9	174.5	-61.6	-92.1	0	0	0	111.4	N96 I106 M132 V133 V212	N96-H135 PolarHBondContact OD1-NE2 3.37Å; I106-H135 HydrophobicContact CD1-CB 3.85Å; M132-H135 HydrophobicContact CB-CB 4.4Å; M132-H135 PolarHBondContact O-N 3.31Å; V133-H135 VanDerWaalsContact C-N 3.34Å; H135-V212 VanDerWaalsContact CE1-CG1 3.44Å; H135-V212 WeakPolarHBondContact CE1-CG1 3.35Å; H135-V212 WeakPolarHBondContact NE2-CG1 3.11Å
136	R	98.9	Very high	98.7	Very high	114 Å²	114	32.7 Å²	32.7	43%	0.43	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.9	177.9	-60.9	171.6	57.4	76.7	3.6	109.4	N103 T105 I106 G157	N103-R136 VanDerWaalsContact OD1-CD 3.27Å; N103-R136 WeakPolarHBondContact OD1-CD 3.31Å; T105-R136 WeakPolarHBondContact CA-O 3.07Å; T105-R136 HydrophobicContact CG2-CB 3.9Å; T105-R136 WeakPolarHBondContact OG1-CD 3.13Å; T105-R136 PolarHBondContact OG1-NE 2.81Å; I106-R136 PolarHBondContact N-O 2.63Å; R136-G157 WeakPolarHBondContact CA-O 3.26Å
137	V	98.9	Very high	98.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.4	-178.2	173.9	0	0	0	0	111.5	I106 F131 M132 Y139 G157 R158 Q159	I106-V137 WeakPolarHBondContact O-CA 3.36Å; F131-V137 HydrophobicContact CD1-CG1 4.17Å; F131-V137 HydrophobicContact CD1-CG2 4.27Å; F131-V137 HydrophobicContact CE1-CG1 4.01Å; F131-V137 HydrophobicContact CE1-CG2 4.19Å; M132-V137 HydrophobicContact CB-CG2 3.66Å; M132-V137 HydrophobicContact CG-CG2 4.44Å; V137-Y139 HydrophobicContact CG1-CD1 4.2Å; V137-Y139 HydrophobicContact CG1-CD2 4.15Å; V137-Y139 HydrophobicContact CG1-CE1 3.94Å; V137-Y139 HydrophobicContact CG1-CE2 3.9Å; V137-Y139 HydrophobicContact CG1-CG 4.31Å; V137-G157 PolarHBondContact N-O 3.29Å; V137-R158 HydrophobicContact CB-CG 4.28Å; V137-R158 VanDerWaalsContact O-CA 3.26Å; V137-R158 WeakPolarHBondContact O-CA 3.24Å; V137-Q159 PolarHBondContact O-N 2.99Å
138	H	98.9	Very high	98.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.5	170.6	-160.5	156.4	0	0	0	109.5	I106 G107 L108 Y140 Q159 S161 E193 V194	I106-H138 PolarHBondContact O-N 3.03Å; G107-H138 CarbonylContact C-O 3.5Å; G107-H138 VanDerWaalsContact CA-O 3.26Å; G107-H138 WeakPolarHBondContact CA-O 3.37Å; L108-H138 PolarHBondContact N-O 3.43Å; H138-Y140 HydrophobicContact CB-CE2 3.97Å; H138-Y140 AromaticContact CD2-CE1 3.58Å; H138-Y140 AromaticContact CD2-CZ 3.68Å; H138-Y140 AromaticContact CE1-CE1 3.53Å; H138-Y140 AromaticContact CE1-CZ 3.74Å; H138-Y140 AromaticContact CG-CE1 3.85Å; H138-Y140 AromaticContact CG-CE2 3.96Å; H138-Y140 AromaticContact CG-CZ 3.48Å; H138-Y140 VanDerWaalsContact CG-CZ 3.48Å; H138-Y140 AromaticContact ND1-CE1 3.87Å; H138-Y140 AromaticContact ND1-CZ 3.58Å; H138-Y140 PolarHBondContact ND1-OH 3.31Å; H138-Y140 VanDerWaalsContact ND1-OH 3.17Å; H138-Y140 AromaticContact NE2-CD1 3.95Å; H138-Y140 AromaticContact NE2-CE1 3.37Å; H138-Y140 WeakPolarHBondContact NE2-CE1 3.42Å; H138-Y140 AromaticContact NE2-CZ 3.84Å; H138-Y140 WeakPolarHBondContact O-CD2 3.35Å; H138-Q159 CarbonylContact C-O 3.6Å; H138-Q159 WeakPolarHBondContact CA-O 3.32Å; H138-Q159 HydrophobicContact CB-CG 4.25Å; H138-Q159 PolarHBondContact CE1-NE2 3.12Å; H138-Q159 PolarHBondContact ND1-NE2 3.47Å; H138-S161 WeakPolarHBondContact NE2-CB 3.5Å; H138-S161 PolarHBondContact NE2-OG 3.25Å; H138-E193 IonicContact CE1-OE2 3.52Å; H138-E193 PolarHBondContact CE1-OE2 3.03Å; H138-E193 VanDerWaalsContact CE1-OE2 3.24Å; H138-E193 IonicContact ND1-OE2 2.82Å; H138-V194 HydrophobicContact CB-CG1 3.94Å
139	Y	98.9	Very high	98.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.7	172.9	-58	-79	0	0	0	110.7	L108 L124 A127 E128 V137 L154 R158 Q159 L160 S161	L108-Y139 HydrophobicContact CB-CD1 3.98Å; L108-Y139 HydrophobicContact CB-CE1 4.45Å; L108-Y139 HydrophobicContact CD2-CD1 3.77Å; L108-Y139 HydrophobicContact CD2-CE1 3.69Å; L108-Y139 HydrophobicContact CG-CD1 4.34Å; L124-Y139 HydrophobicContact CD2-CD1 4.02Å; L124-Y139 HydrophobicContact CD2-CE1 4.36Å; L124-Y139 HydrophobicContact CD2-CG 4.17Å; A127-Y139 HydrophobicContact CB-CE1 3.92Å; E128-Y139 WeakPolarHBondContact OE1-CE2 3.32Å; E128-Y139 VanDerWaalsContact OE1-CZ 3.24Å; E128-Y139 PolarHBondContact OE1-OH 3.36Å; V137-Y139 HydrophobicContact CG1-CD1 4.2Å; V137-Y139 HydrophobicContact CG1-CD2 4.15Å; V137-Y139 HydrophobicContact CG1-CE1 3.94Å; V137-Y139 HydrophobicContact CG1-CE2 3.9Å; V137-Y139 HydrophobicContact CG1-CG 4.31Å; Y139-L154 HydrophobicContact CD2-CD1 4.45Å; Y139-L154 HydrophobicContact CD2-CD2 4.35Å; Y139-L154 HydrophobicContact CE2-CD2 3.98Å; Y139-R158 PolarHBondContact OH-NH2 3.08Å; Y139-Q159 WeakPolarHBondContact CD2-O 3.36Å; Y139-Q159 PolarHBondContact N-O 2.92Å; Y139-L160 VanDerWaalsContact CB-CD1 3.4Å; Y139-L160 HydrophobicContact CG-CD1 4.48Å; Y139-L160 WeakPolarHBondContact O-CA 3.47Å; Y139-S161 PolarHBondContact O-N 3.11Å
140	Y	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	96.1	174.6	-59.7	-76.4	0	0	0	109.2	L108 T109 V110 H138 F142 L163 F190 E193 V194 L197	L108-Y140 PolarHBondContact O-N 3.29Å; T109-Y140 HydrophobicContact CG2-CD2 4.28Å; V110-Y140 PolarHBondContact N-O 3.43Å; H138-Y140 HydrophobicContact CB-CE2 3.97Å; H138-Y140 AromaticContact CD2-CE1 3.58Å; H138-Y140 AromaticContact CD2-CZ 3.68Å; H138-Y140 AromaticContact CE1-CE1 3.53Å; H138-Y140 AromaticContact CE1-CZ 3.74Å; H138-Y140 AromaticContact CG-CE1 3.85Å; H138-Y140 AromaticContact CG-CE2 3.96Å; H138-Y140 AromaticContact CG-CZ 3.48Å; H138-Y140 VanDerWaalsContact CG-CZ 3.48Å; H138-Y140 AromaticContact ND1-CE1 3.87Å; H138-Y140 AromaticContact ND1-CZ 3.58Å; H138-Y140 PolarHBondContact ND1-OH 3.31Å; H138-Y140 VanDerWaalsContact ND1-OH 3.17Å; H138-Y140 AromaticContact NE2-CD1 3.95Å; H138-Y140 AromaticContact NE2-CE1 3.37Å; H138-Y140 WeakPolarHBondContact NE2-CE1 3.42Å; H138-Y140 AromaticContact NE2-CZ 3.84Å; H138-Y140 WeakPolarHBondContact O-CD2 3.35Å; Y140-F142 PolarHBondContact O-N 2.97Å; Y140-L163 HydrophobicContact CD1-CD1 4.03Å; Y140-L163 HydrophobicContact CG-CD1 4.41Å; Y140-F190 HydrophobicContact CD1-CD1 4.32Å; Y140-F190 AromaticContact CD1-CE1 3.59Å; Y140-F190 HydrophobicContact CD1-CE1 3.59Å; Y140-F190 HydrophobicContact CD2-CD1 4.08Å; Y140-F190 AromaticContact CD2-CE1 3.57Å; Y140-F190 HydrophobicContact CD2-CE1 3.57Å; Y140-F190 HydrophobicContact CD2-CZ 4.28Å; Y140-F190 AromaticContact CE1-CD1 3.91Å; Y140-F190 HydrophobicContact CE1-CD1 3.91Å; Y140-F190 AromaticContact CE1-CE1 3.65Å; Y140-F190 HydrophobicContact CE1-CE1 3.65Å; Y140-F190 AromaticContact CE2-CD1 3.66Å; Y140-F190 HydrophobicContact CE2-CD1 3.66Å; Y140-F190 AromaticContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CG-CD1 4.37Å; Y140-F190 AromaticContact CG-CE1 3.52Å; Y140-F190 HydrophobicContact CG-CE1 3.52Å; Y140-F190 HydrophobicContact CG-CZ 4.19Å; Y140-F190 AromaticContact CZ-CD1 3.54Å; Y140-F190 AromaticContact CZ-CE1 3.66Å; Y140-E193 WeakPolarHBondContact CE1-OE2 3.28Å; Y140-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y140-E193 VanDerWaalsContact OH-CB 3.3Å; Y140-E193 WeakPolarHBondContact OH-CB 3.23Å; Y140-E193 PolarHBondContact OH-OE2 2.67Å; Y140-V194 HydrophobicContact CE2-CG1 4.13Å; Y140-V194 WeakPolarHBondContact OH-CG1 3.49Å; Y140-L197 HydrophobicContact CE2-CD2 4.47Å
141	G	98.5	Very high	98.3	Very high	4 Å²	4	43 Å²	43	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	103.2	177.8	0	0	0	0	0	110.7	S161 V162 L163	G141-S161 PolarHBondContact N-O 3.47Å; G141-V162 WeakPolarHBondContact O-CA 3.47Å; G141-L163 PolarHBondContact O-N 3.15Å
142	F	98.8	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.1	174.2	-69.8	-97.2	0	0	0	110.1	T109 V110 F111 A112 Y140 L163 V165 M181 F185 F190	T109-F142 HydrophobicContact CG2-CE2 4.14Å; V110-F142 PolarHBondContact O-N 2.9Å; F111-F142 HydrophobicContact CD1-CB 3.34Å; F111-F142 HydrophobicContact CD1-CD1 4.48Å; F111-F142 HydrophobicContact CD1-CD2 4.48Å; F111-F142 AromaticContact CD1-CG 3.91Å; F111-F142 HydrophobicContact CD1-CG 3.91Å; F111-F142 HydrophobicContact CD2-CB 4.38Å; F111-F142 HydrophobicContact CD2-CD2 4.28Å; F111-F142 HydrophobicContact CE1-CB 3.42Å; F111-F142 VanDerWaalsContact CE1-CB 3.42Å; F111-F142 AromaticContact CE1-CD1 3.67Å; F111-F142 HydrophobicContact CE1-CD1 3.67Å; F111-F142 HydrophobicContact CE1-CD2 4.02Å; F111-F142 HydrophobicContact CE1-CE1 4.37Å; F111-F142 AromaticContact CE1-CG 3.45Å; F111-F142 HydrophobicContact CE1-CG 3.45Å; F111-F142 VanDerWaalsContact CE1-CG 3.45Å; F111-F142 HydrophobicContact CE2-CB 4.45Å; F111-F142 AromaticContact CE2-CD2 3.83Å; F111-F142 HydrophobicContact CE2-CD2 3.83Å; F111-F142 HydrophobicContact CE2-CE2 4.21Å; F111-F142 HydrophobicContact CE2-CG 4.13Å; F111-F142 HydrophobicContact CG-CB 3.86Å; F111-F142 HydrophobicContact CG-CG 4.41Å; F111-F142 HydrophobicContact CZ-CB 4Å; F111-F142 AromaticContact CZ-CD1 3.85Å; F111-F142 HydrophobicContact CZ-CD1 3.85Å; F111-F142 AromaticContact CZ-CD2 3.68Å; F111-F142 HydrophobicContact CZ-CD2 3.68Å; F111-F142 HydrophobicContact CZ-CE1 4.15Å; F111-F142 HydrophobicContact CZ-CE2 4.02Å; F111-F142 AromaticContact CZ-CG 3.58Å; F111-F142 HydrophobicContact CZ-CG 3.58Å; F111-F142 HydrophobicContact CZ-CZ 4.23Å; A112-F142 PolarHBondContact N-O 3.45Å; Y140-F142 PolarHBondContact O-N 2.97Å; F142-L163 WeakPolarHBondContact CA-O 3.42Å; F142-L163 HydrophobicContact CD1-CB 3.9Å; F142-L163 HydrophobicContact CD1-CD1 4.13Å; F142-L163 HydrophobicContact CD2-CD1 4.26Å; F142-L163 HydrophobicContact CE1-CB 4.12Å; F142-L163 HydrophobicContact CE1-CD1 3.63Å; F142-L163 HydrophobicContact CE2-CD1 3.76Å; F142-L163 HydrophobicContact CG-CB 4.29Å; F142-L163 HydrophobicContact CG-CD1 4.44Å; F142-L163 HydrophobicContact CZ-CD1 3.43Å; F142-L163 VanDerWaalsContact CZ-CD1 3.43Å; F142-V165 HydrophobicContact CB-CG2 4.22Å; F142-V165 HydrophobicContact CD1-CG1 3.81Å; F142-V165 HydrophobicContact CE1-CG1 4.48Å; F142-M181 HydrophobicContact CE1-CB 4.28Å; F142-F185 AromaticContact CE1-CD2 3.53Å; F142-F185 HydrophobicContact CE1-CD2 3.53Å; F142-F185 AromaticContact CE1-CE2 3.69Å; F142-F185 HydrophobicContact CE1-CE2 3.69Å; F142-F185 AromaticContact CE1-CG 3.98Å; F142-F185 HydrophobicContact CE1-CG 3.98Å; F142-F185 HydrophobicContact CE1-CZ 4.32Å; F142-F185 HydrophobicContact CZ-CB 4.17Å; F142-F185 AromaticContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CG 4.01Å; F142-F190 HydrophobicContact CE2-CZ 4.19Å; F142-F190 AromaticContact CZ-CZ 3.9Å; F142-F190 HydrophobicContact CZ-CZ 3.9Å
143	T	98.7	Very high	98.2	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.2	-176.9	-170.1	0	0	0	0	112.8	A112 Q145 P146 V149 V162 L163 E164 V165	A112-T143 VanDerWaalsContact O-CB 3.31Å; A112-T143 WeakPolarHBondContact O-CB 3.31Å; A112-T143 PolarHBondContact O-OG1 3.29Å; T143-Q145 VanDerWaalsContact C-N 3.34Å; T143-Q145 PolarHBondContact OG1-N 3.37Å; T143-Q145 VanDerWaalsContact OG1-N 3.08Å; T143-P146 HydrophobicContact CG2-CG 4.42Å; T143-V149 HydrophobicContact CG2-CG2 3.82Å; T143-V162 HydrophobicContact CG2-CG1 3.71Å; T143-L163 PolarHBondContact N-O 2.91Å; T143-E164 CarbonylContact O-C 3.47Å; T143-E164 VanDerWaalsContact O-CA 3.3Å; T143-E164 WeakPolarHBondContact O-CA 3.43Å; T143-V165 PolarHBondContact O-N 3.44Å
144	D	98.4	Very high	98.2	Very high	42 Å²	42	49 Å²	49	23%	0.225	28%	0.28	C	S	.	.	S	Bend	trans	-89	-3.5	167.3	64.1	-38.5	0	0	0	112.5	I113 K114 V165 A167	I113-D144 WeakPolarHBondContact CA-OD1 3.41Å; I113-D144 HydrophobicContact CD1-CB 4.39Å; K114-D144 PolarHBondContact N-OD1 3.06Å; K114-D144 PolarHBondContact N-OD2 3.35Å; D144-V165 VanDerWaalsContact CA-O 3.29Å; D144-V165 WeakPolarHBondContact CA-O 3.21Å; D144-V165 WeakPolarHBondContact CB-O 3.44Å; D144-A167 HydrophobicContact CB-CB 3.82Å; D144-A167 WeakPolarHBondContact OD2-CB 3.46Å
145	Q	98.3	Very high	98.2	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	26%	0.264	S	S	.	.			trans	-134.9	74.3	-175.5	-66.2	158.7	84.4	0	0	110.6	K114 V117 T143 A147 A148	K114-Q145 PolarHBondContact O-NE2 3.15Å; V117-Q145 HydrophobicContact CG1-CB 4.35Å; T143-Q145 VanDerWaalsContact C-N 3.34Å; T143-Q145 PolarHBondContact OG1-N 3.37Å; T143-Q145 VanDerWaalsContact OG1-N 3.08Å; Q145-A147 PolarHBondContact O-N 3.07Å; Q145-A147 VanDerWaalsContact O-N 3.13Å; Q145-A148 HydrophobicContact CB-CB 3.83Å; Q145-A148 WeakPolarHBondContact O-CB 3.38Å; Q145-A148 PolarHBondContact O-N 3.15Å
146	P	98.3	Very high	98.1	Very high	51 Å²	51	54.1 Å²	54.1	33%	0.331	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-55.4	-36.2	-176.3	-27.7	36	0	0	0	114	T143 A148 V149 V162 E164	T143-P146 HydrophobicContact CG2-CG 4.42Å; P146-A148 PolarHBondContact O-N 3.43Å; P146-V149 WeakPolarHBondContact O-CG2 3.33Å; P146-V149 PolarHBondContact O-N 3.48Å; P146-V162 HydrophobicContact CB-CG1 3.97Å; P146-E164 HydrophobicContact CG-CB 3.93Å; P146-E164 HydrophobicContact CG-CG 3.77Å
147	A	98	Very high	98.1	Very high	108 Å²	108	50.7 Å²	50.7	89%	0.893	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.1	-18.2	178.5	0	0	0	0	0	114.1	Q145	Q145-A147 PolarHBondContact O-N 3.07Å; Q145-A147 VanDerWaalsContact O-N 3.13Å
148	A	97.8	Very high	98.1	Very high	41 Å²	41	51.9 Å²	51.9	34%	0.339	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-87	-6.7	178.5	0	0	0	0	0	113.1	V117 Q145 P146	V117-A148 HydrophobicContact CB-CB 4.13Å; V117-A148 HydrophobicContact CG1-CB 4.19Å; V117-A148 HydrophobicContact CG2-CB 4.04Å; Q145-A148 HydrophobicContact CB-CB 3.83Å; Q145-A148 WeakPolarHBondContact O-CB 3.38Å; Q145-A148 PolarHBondContact O-N 3.15Å; P146-A148 PolarHBondContact O-N 3.43Å
149	V	98.1	Very high	98.1	Very high	22 Å²	22	56.8 Å²	56.8	13%	0.133	33%	0.333	C	S	.	.	S	Bend	trans	-68.5	124	176.6	-178.7	0	0	0	0	109.4	L120 T143 P146 L160 V162	L120-V149 HydrophobicContact CD1-CB 4.49Å; L120-V149 HydrophobicContact CD1-CG1 4.4Å; L120-V149 HydrophobicContact CD1-CG2 4.15Å; T143-V149 HydrophobicContact CG2-CG2 3.82Å; P146-V149 WeakPolarHBondContact O-CG2 3.33Å; P146-V149 PolarHBondContact O-N 3.48Å; V149-L160 HydrophobicContact CG1-CD2 4.07Å; V149-V162 HydrophobicContact CB-CG2 4.12Å; V149-V162 HydrophobicContact CG1-CG2 3.92Å; V149-V162 HydrophobicContact CG2-CG1 3.85Å; V149-V162 HydrophobicContact CG2-CG2 3.98Å
150	P	96.8	Very high	98	Very high	29 Å²	29	59.2 Å²	59.2	19%	0.188	35%	0.345	C	S	.	.			trans	-69.8	145.4	-176.3	29	-34.6	0	0	0	111.3	L120 K121 L124 V152	L120-P150 HydrophobicContact CB-CG 3.86Å; K121-P150 HydrophobicContact CB-CB 4.12Å; K121-P150 HydrophobicContact CB-CG 3.98Å; K121-P150 HydrophobicContact CG-CB 4.43Å; L124-P150 HydrophobicContact CD1-CG 4.31Å; P150-V152 HydrophobicContact CB-CG2 4.25Å; P150-V152 HydrophobicContact CG-CG2 4.16Å; P150-V152 PolarHBondContact O-N 2.94Å
151	R	95.7	Very high	98	Very high	255 Å²	255	60.2 Å²	60.2	96%	0.962	35%	0.352	S	S	*	.			trans	-77.6	105.7	167.8	-65.7	-178.3	-178.1	165.7	0.5	108.7
152	V	97.2	Very high	98	Very high	26 Å²	26	62.9 Å²	62.9	16%	0.158	37%	0.368	C	S	.	.			trans	-109.2	137.3	177	179.9	0	0	0	0	109	L124 E125 P150 L154	L124-V152 HydrophobicContact CB-CB 4.29Å; L124-V152 HydrophobicContact CB-CG1 4.21Å; L124-V152 HydrophobicContact CB-CG2 3.92Å; L124-V152 HydrophobicContact CD1-CG2 4.09Å; E125-V152 HydrophobicContact CG-CG1 3.88Å; E125-V152 HydrophobicContact CG-CG2 4.33Å; P150-V152 HydrophobicContact CB-CG2 4.25Å; P150-V152 HydrophobicContact CG-CG2 4.16Å; P150-V152 PolarHBondContact O-N 2.94Å; V152-L154 HydrophobicContact CG1-CD2 4.44Å; V152-L154 PolarHBondContact O-N 2.75Å
153	T	97.9	Very high	98	Very high	132 Å²	132	63.3 Å²	63.3	81%	0.81	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-68.5	122.1	173.8	-56.4	0	0	0	0	109.2
154	L	98.4	Very high	98	Very high	51 Å²	51	70.1 Å²	70.1	27%	0.267	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-103.9	141.2	178	-53.7	-178.2	0	0	0	110.5	E128 Y139 V152 R158 L160	E128-L154 HydrophobicContact CG-CD2 4.02Å; E128-L154 WeakPolarHBondContact OE2-CA 2.99Å; Y139-L154 HydrophobicContact CD2-CD1 4.45Å; Y139-L154 HydrophobicContact CD2-CD2 4.35Å; Y139-L154 HydrophobicContact CE2-CD2 3.98Å; V152-L154 HydrophobicContact CG1-CD2 4.44Å; V152-L154 PolarHBondContact O-N 2.75Å; L154-R158 HydrophobicContact CB-CB 4.32Å; L154-L160 HydrophobicContact CD1-CB 3.87Å
155	G	97.8	Very high	98	Very high	34 Å²	34	69.1 Å²	69.1	35%	0.351	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66.8	163.7	172.5	0	0	0	0	0	113	E128 G157 R158	E128-G155 PolarHBondContact OE2-N 3.04Å; G155-G157 PolarHBondContact O-N 3.46Å; G155-R158 VanDerWaalsContact O-CB 3.3Å; G155-R158 WeakPolarHBondContact O-CB 3.34Å; G155-R158 WeakPolarHBondContact O-CG 3.47Å; G155-R158 PolarHBondContact O-N 3.11Å
156	T	97.6	Very high	97.9	Very high	153 Å²	153	73.6 Å²	73.6	94%	0.939	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	136.9	178.1	-57.2	0	0	0	0	111.9	R158	T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 3.27Å
157	G	97.6	Very high	97.8	Very high	41 Å²	41	73 Å²	73	42%	0.423	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.2	-179.8	0	0	0	0	0	114.1	R136 V137 G155	R136-G157 WeakPolarHBondContact CA-O 3.26Å; V137-G157 PolarHBondContact N-O 3.29Å; G155-G157 PolarHBondContact O-N 3.46Å
158	R	98.8	Very high	97.7	Very high	27 Å²	27	69.5 Å²	69.5	10%	0.102	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.8	179.1	-48	176.3	72.2	90	-10.7	110.2	E128 F131 M132 V137 Y139 L154 G155 T156	E128-R158 IonicContact OE1-CZ 3.5Å; E128-R158 IonicContact OE1-NE 3.68Å; E128-R158 PolarHBondContact OE1-NE 2.92Å; E128-R158 IonicContact OE1-NH2 2.88Å; E128-R158 WeakPolarHBondContact OE2-CD 3.36Å; E128-R158 IonicContact OE2-NE 3.44Å; E128-R158 PolarHBondContact OE2-NE 3.41Å; F131-R158 PolarHBondContact O-NH1 3.16Å; F131-R158 PolarHBondContact O-NH2 3.26Å; M132-R158 PolarHBondContact O-NH1 3.46Å; V137-R158 HydrophobicContact CB-CG 4.28Å; V137-R158 VanDerWaalsContact O-CA 3.26Å; V137-R158 WeakPolarHBondContact O-CA 3.24Å; Y139-R158 PolarHBondContact OH-NH2 3.08Å; L154-R158 HydrophobicContact CB-CB 4.32Å; G155-R158 VanDerWaalsContact O-CB 3.3Å; G155-R158 WeakPolarHBondContact O-CB 3.34Å; G155-R158 WeakPolarHBondContact O-CG 3.47Å; G155-R158 PolarHBondContact O-N 3.11Å; T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 3.27Å
159	Q	98.6	Very high	97.6	Very high	105 Å²	105	76.6 Å²	76.6	49%	0.491	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156	-178.7	65.3	-174.1	8.6	0	0	111.9	V137 H138 Y139	V137-Q159 PolarHBondContact O-N 2.99Å; H138-Q159 CarbonylContact C-O 3.6Å; H138-Q159 WeakPolarHBondContact CA-O 3.32Å; H138-Q159 HydrophobicContact CB-CG 4.25Å; H138-Q159 PolarHBondContact CE1-NE2 3.12Å; H138-Q159 PolarHBondContact ND1-NE2 3.47Å; Y139-Q159 WeakPolarHBondContact CD2-O 3.36Å; Y139-Q159 PolarHBondContact N-O 2.92Å
160	L	98.6	Very high	97.5	Very high	51 Å²	51	80 Å²	80	27%	0.267	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129	177.8	171.9	66.5	0	0	0	109.7	L124 Y139 V149 L154	L124-L160 HydrophobicContact CD1-CD2 4.11Å; Y139-L160 VanDerWaalsContact CB-CD1 3.4Å; Y139-L160 HydrophobicContact CG-CD1 4.48Å; Y139-L160 WeakPolarHBondContact O-CA 3.47Å; V149-L160 HydrophobicContact CG1-CD2 4.07Å; L154-L160 HydrophobicContact CD1-CB 3.87Å
161	S	98.6	Very high	97.4	Very high	21 Å²	21	82 Å²	82	15%	0.147	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.7	167.2	-72.8	0	0	0	0	109.9	H138 Y139 G141 R189	H138-S161 WeakPolarHBondContact NE2-CB 3.5Å; H138-S161 PolarHBondContact NE2-OG 3.25Å; Y139-S161 PolarHBondContact O-N 3.11Å; G141-S161 PolarHBondContact N-O 3.47Å; S161-R189 PolarHBondContact OG-NH2 3.45Å
162	V	98.5	Very high	97.5	Very high	61 Å²	61	71.6 Å²	71.6	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.1	172.8	-177.4	0	0	0	0	108.3	G141 T143 P146 V149	G141-V162 WeakPolarHBondContact O-CA 3.47Å; T143-V162 HydrophobicContact CG2-CG1 3.71Å; P146-V162 HydrophobicContact CB-CG1 3.97Å; V149-V162 HydrophobicContact CB-CG2 4.12Å; V149-V162 HydrophobicContact CG1-CG2 3.92Å; V149-V162 HydrophobicContact CG2-CG1 3.85Å; V149-V162 HydrophobicContact CG2-CG2 3.98Å
163	L	98.3	Very high	97.5	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.047	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.2	-177.3	-54.9	-179.3	0	0	0	108.4	Y140 G141 F142 T143 V165 F185	Y140-L163 HydrophobicContact CD1-CD1 4.03Å; Y140-L163 HydrophobicContact CG-CD1 4.41Å; G141-L163 PolarHBondContact O-N 3.15Å; F142-L163 WeakPolarHBondContact CA-O 3.42Å; F142-L163 HydrophobicContact CD1-CB 3.9Å; F142-L163 HydrophobicContact CD1-CD1 4.13Å; F142-L163 HydrophobicContact CD2-CD1 4.26Å; F142-L163 HydrophobicContact CE1-CB 4.12Å; F142-L163 HydrophobicContact CE1-CD1 3.63Å; F142-L163 HydrophobicContact CE2-CD1 3.76Å; F142-L163 HydrophobicContact CG-CB 4.29Å; F142-L163 HydrophobicContact CG-CD1 4.44Å; F142-L163 HydrophobicContact CZ-CD1 3.43Å; F142-L163 VanDerWaalsContact CZ-CD1 3.43Å; T143-L163 PolarHBondContact N-O 2.91Å; L163-V165 PolarHBondContact O-N 2.94Å; L163-F185 HydrophobicContact CB-CE1 4.3Å; L163-F185 HydrophobicContact CB-CZ 4.15Å; L163-F185 HydrophobicContact CD1-CD1 3.67Å; L163-F185 HydrophobicContact CD1-CE1 3.66Å; L163-F185 HydrophobicContact CD1-CG 4.21Å; L163-F185 HydrophobicContact CD1-CZ 4.16Å; L163-F185 HydrophobicContact CD2-CD1 4.37Å; L163-F185 HydrophobicContact CD2-CE1 3.73Å; L163-F185 HydrophobicContact CD2-CZ 4.37Å; L163-F185 HydrophobicContact CG-CE1 4.1Å; L163-F185 HydrophobicContact CG-CZ 4.46Å
164	E	98.3	Very high	97.4	Very high	144 Å²	144	67 Å²	67	67%	0.673	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.7	-179.8	-170.2	174.2	-178	0	0	110.8	T143 P146	T143-E164 CarbonylContact O-C 3.47Å; T143-E164 VanDerWaalsContact O-CA 3.3Å; T143-E164 WeakPolarHBondContact O-CA 3.43Å; P146-E164 HydrophobicContact CG-CB 3.93Å; P146-E164 HydrophobicContact CG-CG 3.77Å
165	V	97.8	Very high	97.2	Very high	21 Å²	21	65.9 Å²	65.9	13%	0.127	34%	0.341	C	S	.	.			trans	-140.3	157.1	179	-66.3	0	0	0	0	111.1	I113 F142 T143 D144 L163 M181	I113-V165 HydrophobicContact CD1-CG2 3.6Å; F142-V165 HydrophobicContact CB-CG2 4.22Å; F142-V165 HydrophobicContact CD1-CG1 3.81Å; F142-V165 HydrophobicContact CE1-CG1 4.48Å; T143-V165 PolarHBondContact O-N 3.44Å; D144-V165 VanDerWaalsContact CA-O 3.29Å; D144-V165 WeakPolarHBondContact CA-O 3.21Å; D144-V165 WeakPolarHBondContact CB-O 3.44Å; L163-V165 PolarHBondContact O-N 2.94Å; V165-M181 HydrophobicContact CB-CE 4.06Å; V165-M181 HydrophobicContact CB-SD 3.87Å; V165-M181 HydrophobicContact CG1-SD 3.91Å; V165-M181 HydrophobicContact CG2-CE 4.39Å; V165-M181 HydrophobicContact CG2-SD 3.94Å
166	R	96.9	Very high	97.3	Very high	164 Å²	164	65.3 Å²	65.3	62%	0.619	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-66.6	144.5	177.8	65.4	178.6	-67.3	-174.8	3.6	112.3	Y168 M181	R166-Y168 HydrophobicContact CG-CD2 4.32Å; R166-Y168 HydrophobicContact CG-CE2 3.78Å; R166-M181 HydrophobicContact CG-CE 4.36Å
167	A	96.9	Very high	97.3	Very high	38 Å²	38	59.5 Å²	59.5	31%	0.314	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-87.1	124.6	166.1	0	0	0	0	0	111.5	I113 K114 D144	I113-A167 HydrophobicContact CG2-CB 3.79Å; K114-A167 HydrophobicContact CG-CB 4.21Å; D144-A167 HydrophobicContact CB-CB 3.82Å; D144-A167 WeakPolarHBondContact OD2-CB 3.46Å
168	Y	96.3	Very high	97.3	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.133	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-82	151.1	169.2	-72.3	-94.1	0	0	0	111.1	K114 R166 D173 V174 R177 M181	K114-Y168 WeakPolarHBondContact CE-O 3.24Å; K114-Y168 PolarHBondContact NZ-O 2.93Å; R166-Y168 HydrophobicContact CG-CD2 4.32Å; R166-Y168 HydrophobicContact CG-CE2 3.78Å; Y168-D173 HydrophobicContact CD1-CB 4.04Å; Y168-D173 HydrophobicContact CG-CB 3.92Å; Y168-V174 WeakPolarHBondContact O-CG2 3.25Å; Y168-R177 HydrophobicContact CD1-CG 4.44Å; Y168-R177 HydrophobicContact CD2-CB 4.09Å; Y168-R177 HydrophobicContact CD2-CG 3.88Å; Y168-R177 HydrophobicContact CE1-CG 4.13Å; Y168-R177 HydrophobicContact CE2-CB 3.71Å; Y168-R177 HydrophobicContact CE2-CG 3.51Å; Y168-R177 HydrophobicContact CG-CG 4.33Å; Y168-M181 HydrophobicContact CD2-CE 4.48Å; Y168-M181 HydrophobicContact CE2-CE 3.85Å
169	K	94.8	Very high	97.3	Very high	191 Å²	191	57.1 Å²	57.1	83%	0.83	27%	0.269	S	S	*	.	S	Bend	trans	-66	-48.9	-175.5	-174.2	177.7	178.5	-179.7	0	112.4	K114	K114-K169 PolarHBondContact NZ-O 3.17Å
170	R	96.4	Very high	97.3	Very high	94 Å²	94	54.5 Å²	54.5	36%	0.355	26%	0.256	S	S	.	.	S	Bend	trans	-83.5	143.9	-178.6	-61	169	60.3	-131.6	5.2	110.5	Q172 D173 V174 E287	R170-Q172 PolarHBondContact O-N 3.47Å; R170-D173 HydrophobicContact CB-CB 4.38Å; R170-D173 WeakPolarHBondContact CB-OD2 3.4Å; R170-D173 WeakPolarHBondContact CD-OD2 3.48Å; R170-D173 IonicContact NH1-OD1 3.26Å; R170-D173 PolarHBondContact NH1-OD1 3.2Å; R170-D173 IonicContact NH1-OD2 3Å; R170-D173 PolarHBondContact O-N 3.32Å; R170-V174 WeakPolarHBondContact O-CG2 3.44Å; R170-V174 PolarHBondContact O-N 3.49Å; R170-V174 VanDerWaalsContact O-N 3.14Å; R170-E287 IonicContact CZ-OE1 3.43Å; R170-E287 IonicContact CZ-OE2 3.41Å; R170-E287 VanDerWaalsContact CZ-OE2 3.3Å; R170-E287 IonicContact NH1-OE1 2.65Å; R170-E287 IonicContact NH1-OE2 2.76Å; R170-E287 PolarHBondContact NH1-OE2 2.83Å; R170-E287 VanDerWaalsContact NH2-CD 3.26Å; R170-E287 IonicContact NH2-OE1 3.51Å; R170-E287 PolarHBondContact NH2-OE1 3.35Å; R170-E287 IonicContact NH2-OE2 3.28Å; R170-E287 PolarHBondContact NH2-OE2 2.85Å
171	W	95.3	Very high	97.3	Very high	69 Å²	69	53.1 Å²	53.1	26%	0.261	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-30.2	176.4	70	-95.1	0	0	0	111.6	V174 S175 H291 R342	W171-V174 WeakPolarHBondContact O-CB 3.35Å; W171-V174 PolarHBondContact O-N 2.98Å; W171-S175 PolarHBondContact O-N 3.41Å; W171-H291 AromaticContact CH2-CE1 3.28Å; W171-H291 WeakPolarHBondContact CH2-CE1 3.15Å; W171-H291 AromaticContact CH2-ND1 3.71Å; W171-H291 AromaticContact CH2-NE2 3.98Å; W171-H291 AromaticContact CZ2-CE1 3.93Å; W171-H291 AromaticContact CZ3-CE1 3.95Å; W171-H291 AromaticContact CZ3-ND1 3.96Å; W171-R342 HydrophobicContact CB-CB 4Å; W171-R342 HydrophobicContact CB-CG 3.88Å; W171-R342 HydrophobicContact CG-CB 4.17Å; W171-R342 HydrophobicContact CG-CG 4Å
172	Q	96.8	Very high	97.3	Very high	38 Å²	38	52.2 Å²	52.2	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-51.7	172.7	-63.5	91	-29.6	0	0	110.7	R170 V174 S175 M176 H291	R170-Q172 PolarHBondContact O-N 3.47Å; Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 3.12Å; Q172-S175 WeakPolarHBondContact O-CB 3.46Å; Q172-S175 PolarHBondContact O-N 2.78Å; Q172-S175 VanDerWaalsContact O-N 3.13Å; Q172-M176 HydrophobicContact CB-CE 4.23Å; Q172-M176 WeakPolarHBondContact O-CB 3.34Å; Q172-M176 VanDerWaalsContact O-CG 3.32Å; Q172-M176 WeakPolarHBondContact O-CG 3.25Å; Q172-M176 PolarHBondContact O-N 2.99Å; Q172-H291 VanDerWaalsContact CG-CD2 3.4Å; Q172-H291 WeakPolarHBondContact CG-CD2 3.2Å; Q172-H291 WeakPolarHBondContact CG-NE2 3.3Å
173	D	96.9	Very high	97.3	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.171	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-37.7	178.9	-61.2	-33.7	0	0	0	111.3	Y168 R170 S175 M176 R177	Y168-D173 HydrophobicContact CD1-CB 4.04Å; Y168-D173 HydrophobicContact CG-CB 3.92Å; R170-D173 HydrophobicContact CB-CB 4.38Å; R170-D173 WeakPolarHBondContact CB-OD2 3.4Å; R170-D173 WeakPolarHBondContact CD-OD2 3.48Å; R170-D173 IonicContact NH1-OD1 3.26Å; R170-D173 PolarHBondContact NH1-OD1 3.2Å; R170-D173 IonicContact NH1-OD2 3Å; R170-D173 PolarHBondContact O-N 3.32Å; D173-S175 VanDerWaalsContact C-N 3.32Å; D173-S175 PolarHBondContact O-N 2.99Å; D173-M176 PolarHBondContact O-N 2.74Å; D173-M176 WeakPolarHBondContact OD1-CE 3.39Å; D173-R177 WeakPolarHBondContact O-CB 3.04Å; D173-R177 WeakPolarHBondContact O-CG 3.28Å; D173-R177 PolarHBondContact O-N 2.81Å
174	V	95.5	Very high	97.3	Very high	30 Å²	30	51.7 Å²	51.7	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173.8	172.3	0	0	0	0	111.1	I113 Y168 R170 W171 Q172 R178	I113-V174 HydrophobicContact CB-CG1 3.8Å; I113-V174 HydrophobicContact CG1-CG1 4.02Å; I113-V174 HydrophobicContact CG2-CG1 3.98Å; I113-V174 HydrophobicContact CG2-CG2 4.03Å; Y168-V174 WeakPolarHBondContact O-CG2 3.25Å; R170-V174 WeakPolarHBondContact O-CG2 3.44Å; R170-V174 PolarHBondContact O-N 3.49Å; R170-V174 VanDerWaalsContact O-N 3.14Å; W171-V174 WeakPolarHBondContact O-CB 3.35Å; W171-V174 PolarHBondContact O-N 2.98Å; Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 3.12Å; V174-R178 WeakPolarHBondContact O-CG 3.03Å
175	S	96	Very high	97.3	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-48.6	177.9	-165.6	0	0	0	0	112.2	W171 Q172 D173 R177 R178 D292	W171-S175 PolarHBondContact O-N 3.41Å; Q172-S175 WeakPolarHBondContact O-CB 3.46Å; Q172-S175 PolarHBondContact O-N 2.78Å; Q172-S175 VanDerWaalsContact O-N 3.13Å; D173-S175 VanDerWaalsContact C-N 3.32Å; D173-S175 PolarHBondContact O-N 2.99Å; S175-R177 PolarHBondContact O-N 2.81Å; S175-R178 WeakPolarHBondContact O-CB 3.44Å; S175-R178 VanDerWaalsContact O-CG 3.25Å; S175-R178 WeakPolarHBondContact O-CG 3.34Å; S175-R178 PolarHBondContact O-N 2.81Å; S175-R178 PolarHBondContact O-NE 2.62Å; S175-R178 VanDerWaalsContact O-NE 3.08Å; S175-D292 WeakPolarHBondContact CB-OD1 3.35Å; S175-D292 PolarHBondContact OG-OD1 2.82Å; S175-D292 PolarHBondContact OG-OD2 3.03Å
176	M	98.2	Very high	97.3	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-41.2	-176.9	-72.2	-170.4	-61.9	0	0	113	Q172 D173 R178 M179 M278 E287 H291	Q172-M176 HydrophobicContact CB-CE 4.23Å; Q172-M176 WeakPolarHBondContact O-CB 3.34Å; Q172-M176 VanDerWaalsContact O-CG 3.32Å; Q172-M176 WeakPolarHBondContact O-CG 3.25Å; Q172-M176 PolarHBondContact O-N 2.99Å; D173-M176 PolarHBondContact O-N 2.74Å; D173-M176 WeakPolarHBondContact OD1-CE 3.39Å; M176-R178 PolarHBondContact O-N 2.66Å; M176-R178 VanDerWaalsContact O-N 3.16Å; M176-M179 PolarHBondContact O-N 3.33Å; M176-M278 HydrophobicContact CB-CE 4.43Å; M176-M278 HydrophobicContact CB-SD 3.55Å; M176-M278 VanDerWaalsContact CB-SD 3.55Å; M176-M278 HydrophobicContact CG-SD 3.62Å; M176-M278 VanDerWaalsContact O-CE 3.3Å; M176-M278 WeakPolarHBondContact O-CE 3.48Å; M176-M278 HydrophobicContact SD-SD 3.96Å; M176-E287 HydrophobicContact CE-CG 4.23Å; M176-E287 WeakPolarHBondContact CE-OE2 3.46Å; M176-E287 HydrophobicContact SD-CG 4.17Å; M176-H291 HydrophobicContact CG-CB 3.71Å; M176-H291 HydrophobicContact SD-CB 4.09Å
177	R	98	Very high	97.1	Very high	31 Å²	31	43 Å²	43	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-8	-175	-63.6	-76.3	174.3	-174.1	-5.2	113.3	Y168 D173 S175 M179 E180 M181 M279 Q282	Y168-R177 HydrophobicContact CD1-CG 4.44Å; Y168-R177 HydrophobicContact CD2-CB 4.09Å; Y168-R177 HydrophobicContact CD2-CG 3.88Å; Y168-R177 HydrophobicContact CE1-CG 4.13Å; Y168-R177 HydrophobicContact CE2-CB 3.71Å; Y168-R177 HydrophobicContact CE2-CG 3.51Å; Y168-R177 HydrophobicContact CG-CG 4.33Å; D173-R177 WeakPolarHBondContact O-CB 3.04Å; D173-R177 WeakPolarHBondContact O-CG 3.28Å; D173-R177 PolarHBondContact O-N 2.81Å; S175-R177 PolarHBondContact O-N 2.81Å; R177-M179 PolarHBondContact O-N 3.39Å; R177-E180 WeakPolarHBondContact CD-OE2 3.36Å; R177-E180 IonicContact CZ-OE2 3.04Å; R177-E180 IonicContact NE-OE2 3.72Å; R177-E180 IonicContact NH1-OE2 2.63Å; R177-E180 PolarHBondContact NH1-OE2 2.76Å; R177-E180 WeakPolarHBondContact O-CB 3.31Å; R177-E180 PolarHBondContact O-N 3.36Å; R177-M181 HydrophobicContact CB-CE 4.27Å; R177-M181 WeakPolarHBondContact O-CG 3.48Å; R177-M181 PolarHBondContact O-N 2.8Å; R177-M279 PolarHBondContact NH1-SD 2.8Å; R177-Q282 VanDerWaalsContact NH2-OE1 3.16Å
178	R	98.3	Very high	96.9	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.068	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-37.7	169.7	-60.4	-174.1	-59.9	160.2	-1.2	111.9	F111 V174 S175 M176 M181 I182 D201 G257 D292	F111-R178 HydrophobicContact CB-CG 4.31Å; F111-R178 HydrophobicContact CD1-CG 3.86Å; F111-R178 HydrophobicContact CD2-CB 4.1Å; F111-R178 HydrophobicContact CD2-CG 3.65Å; F111-R178 HydrophobicContact CE1-CB 4.36Å; F111-R178 HydrophobicContact CE1-CG 4.06Å; F111-R178 HydrophobicContact CE2-CB 3.8Å; F111-R178 HydrophobicContact CE2-CG 3.86Å; F111-R178 HydrophobicContact CG-CB 4.5Å; F111-R178 HydrophobicContact CG-CG 3.65Å; F111-R178 HydrophobicContact CZ-CB 3.95Å; F111-R178 HydrophobicContact CZ-CG 4.06Å; V174-R178 WeakPolarHBondContact O-CG 3.03Å; S175-R178 WeakPolarHBondContact O-CB 3.44Å; S175-R178 VanDerWaalsContact O-CG 3.25Å; S175-R178 WeakPolarHBondContact O-CG 3.34Å; S175-R178 PolarHBondContact O-N 2.81Å; S175-R178 PolarHBondContact O-NE 2.62Å; S175-R178 VanDerWaalsContact O-NE 3.08Å; M176-R178 PolarHBondContact O-N 2.66Å; M176-R178 VanDerWaalsContact O-N 3.16Å; R178-M181 PolarHBondContact O-N 3.22Å; R178-I182 HydrophobicContact CB-CD1 4.42Å; R178-I182 WeakPolarHBondContact O-CB 3.5Å; R178-I182 WeakPolarHBondContact O-CD1 3.23Å; R178-I182 VanDerWaalsContact O-CG1 3.23Å; R178-I182 WeakPolarHBondContact O-CG1 3.48Å; R178-I182 PolarHBondContact O-N 3.01Å; R178-D201 IonicContact CZ-OD1 3.54Å; R178-D201 IonicContact NH1-OD1 3.49Å; R178-D201 PolarHBondContact NH1-OD1 2.76Å; R178-D201 IonicContact NH2-OD1 2.73Å; R178-G257 PolarHBondContact NH2-O 3.02Å; R178-G257 VanDerWaalsContact NH2-O 3.16Å; R178-D292 IonicContact CZ-OD2 2.61Å; R178-D292 IonicContact NE-OD2 3.59Å; R178-D292 IonicContact NH2-OD2 3.89Å; R178-D292 PolarHBondContact NH2-OD2 2.98Å
179	M	98.5	Very high	96.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-45.7	179	-63.6	-65.2	179	0	0	111.4	M176 R177 S183 F260 L270 T271 C274 H275 M278 D292	M176-M179 PolarHBondContact O-N 3.33Å; R177-M179 PolarHBondContact O-N 3.39Å; M179-S183 WeakPolarHBondContact O-CB 3.01Å; M179-S183 PolarHBondContact O-N 3.44Å; M179-S183 PolarHBondContact O-OG 3.05Å; M179-F260 HydrophobicContact CE-CE1 4.07Å; M179-F260 HydrophobicContact CE-CZ 4.02Å; M179-F260 HydrophobicContact SD-CZ 4.13Å; M179-L270 HydrophobicContact CE-CD2 4.47Å; M179-L270 HydrophobicContact SD-CD2 4.13Å; M179-T271 WeakPolarHBondContact O-CB 3.46Å; M179-T271 HydrophobicContact SD-CG2 3.81Å; M179-C274 HydrophobicContact CB-CB 4.34Å; M179-C274 HydrophobicContact CG-CB 3.94Å; M179-C274 HydrophobicContact SD-CB 4.01Å; M179-H275 HydrophobicContact CB-CB 4.19Å; M179-M278 HydrophobicContact CB-CE 3.64Å; M179-M278 HydrophobicContact CG-CE 3.59Å; M179-D292 HydrophobicContact CE-CB 3.93Å; M179-D292 HydrophobicContact CG-CB 4.31Å
180	E	98.6	Very high	97.1	Very high	49 Å²	49	41.5 Å²	41.5	23%	0.229	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-54.8	174.4	-174	179.3	172.7	0	0	110.7	R177 I182 S183 D184 H275	R177-E180 WeakPolarHBondContact CD-OE2 3.36Å; R177-E180 IonicContact CZ-OE2 3.04Å; R177-E180 IonicContact NE-OE2 3.72Å; R177-E180 IonicContact NH1-OE2 2.63Å; R177-E180 PolarHBondContact NH1-OE2 2.76Å; R177-E180 WeakPolarHBondContact O-CB 3.31Å; R177-E180 PolarHBondContact O-N 3.36Å; E180-I182 PolarHBondContact O-N 2.99Å; E180-S183 PolarHBondContact O-N 2.76Å; E180-S183 VanDerWaalsContact O-N 3.11Å; E180-S183 PolarHBondContact O-OG 2.85Å; E180-D184 PolarHBondContact O-N 3.08Å; E180-H275 IonicContact OE2-CE1 3.29Å; E180-H275 PolarHBondContact OE2-CE1 2.97Å; E180-H275 IonicContact OE2-ND1 3.49Å
181	M	98.4	Very high	97.1	Very high	23 Å²	23	41.7 Å²	41.7	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-41.6	-175.6	-66	175.4	-173.5	0	0	112.4	F111 F142 V165 R166 Y168 R177 R178 S183 D184 F185	F111-M181 HydrophobicContact CD1-SD 4.37Å; F111-M181 HydrophobicContact CE1-CB 3.94Å; F111-M181 HydrophobicContact CE1-CG 4.4Å; F111-M181 HydrophobicContact CE1-SD 3.58Å; F111-M181 VanDerWaalsContact CE1-SD 3.58Å; F111-M181 HydrophobicContact CZ-CB 3.9Å; F111-M181 HydrophobicContact CZ-SD 4.47Å; F142-M181 HydrophobicContact CE1-CB 4.28Å; V165-M181 HydrophobicContact CB-CE 4.06Å; V165-M181 HydrophobicContact CB-SD 3.87Å; V165-M181 HydrophobicContact CG1-SD 3.91Å; V165-M181 HydrophobicContact CG2-CE 4.39Å; V165-M181 HydrophobicContact CG2-SD 3.94Å; R166-M181 HydrophobicContact CG-CE 4.36Å; Y168-M181 HydrophobicContact CD2-CE 4.48Å; Y168-M181 HydrophobicContact CE2-CE 3.85Å; R177-M181 HydrophobicContact CB-CE 4.27Å; R177-M181 WeakPolarHBondContact O-CG 3.48Å; R177-M181 PolarHBondContact O-N 2.8Å; R178-M181 PolarHBondContact O-N 3.22Å; M181-S183 VanDerWaalsContact C-N 3.35Å; M181-D184 PolarHBondContact O-N 3.39Å; M181-F185 VanDerWaalsContact O-CD2 3.28Å; M181-F185 WeakPolarHBondContact O-CD2 3.44Å; M181-F185 PolarHBondContact O-N 2.69Å; M181-F185 VanDerWaalsContact O-N 3.08Å
182	I	98.8	Very high	97.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-44.1	175.1	-67.7	160.9	0	0	0	110	F111 R178 E180 D184 F185 C186 F190 C199 F260 V267 T271	F111-I182 HydrophobicContact CE2-CD1 3.9Å; F111-I182 HydrophobicContact CE2-CG1 3.83Å; F111-I182 HydrophobicContact CZ-CD1 4.47Å; F111-I182 HydrophobicContact CZ-CG1 4.01Å; R178-I182 HydrophobicContact CB-CD1 4.42Å; R178-I182 WeakPolarHBondContact O-CB 3.5Å; R178-I182 WeakPolarHBondContact O-CD1 3.23Å; R178-I182 VanDerWaalsContact O-CG1 3.23Å; R178-I182 WeakPolarHBondContact O-CG1 3.48Å; R178-I182 PolarHBondContact O-N 3.01Å; E180-I182 PolarHBondContact O-N 2.99Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 PolarHBondContact O-N 3.47Å; I182-F185 PolarHBondContact O-N 2.75Å; I182-C186 PolarHBondContact O-N 3.43Å; I182-C186 PolarHBondContact O-SG 3.41Å; I182-F190 HydrophobicContact CG2-CE2 4.38Å; I182-C199 HydrophobicContact CD1-CB 4.17Å; I182-F260 HydrophobicContact CD1-CZ 4.23Å; I182-V267 HydrophobicContact CG2-CG1 3.8Å; I182-T271 HydrophobicContact CB-CG2 4.04Å; I182-T271 HydrophobicContact CG2-CG2 3.78Å
183	S	98.3	Very high	97.3	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-38.3	-179	78	0	0	0	0	112.8	M179 E180 M181 C186 T271	M179-S183 WeakPolarHBondContact O-CB 3.01Å; M179-S183 PolarHBondContact O-N 3.44Å; M179-S183 PolarHBondContact O-OG 3.05Å; E180-S183 PolarHBondContact O-N 2.76Å; E180-S183 VanDerWaalsContact O-N 3.11Å; E180-S183 PolarHBondContact O-OG 2.85Å; M181-S183 VanDerWaalsContact C-N 3.35Å; S183-C186 WeakPolarHBondContact O-CB 3.46Å; S183-C186 PolarHBondContact O-N 2.62Å; S183-T271 WeakPolarHBondContact CB-OG1 3.21Å
184	D	98	Very high	97.3	Very high	53 Å²	53	43.3 Å²	43.3	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-46.9	174.5	-85.7	11.5	0	0	0	111.4	E180 M181 I182 C186 E187 R188	E180-D184 PolarHBondContact O-N 3.08Å; M181-D184 PolarHBondContact O-N 3.39Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 PolarHBondContact O-N 3.47Å; D184-C186 VanDerWaalsContact C-N 3.29Å; D184-C186 PolarHBondContact O-N 3.29Å; D184-E187 PolarHBondContact O-N 2.79Å; D184-R188 WeakPolarHBondContact O-CG 3.02Å; D184-R188 PolarHBondContact O-N 2.83Å; D184-R188 VanDerWaalsContact O-N 3.12Å; D184-R188 IonicContact OD2-CZ 2.76Å; D184-R188 IonicContact OD2-NH2 3.9Å; D184-R188 PolarHBondContact OD2-NH2 3.13Å
185	F	98.4	Very high	97.5	Very high	30 Å²	30	45.6 Å²	45.6	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-75.3	-18	-178.2	-83.7	-93.8	0	0	0	113.6	F142 L163 M181 I182 E187 R188 R189 F190	F142-F185 AromaticContact CE1-CD2 3.53Å; F142-F185 HydrophobicContact CE1-CD2 3.53Å; F142-F185 AromaticContact CE1-CE2 3.69Å; F142-F185 HydrophobicContact CE1-CE2 3.69Å; F142-F185 AromaticContact CE1-CG 3.98Å; F142-F185 HydrophobicContact CE1-CG 3.98Å; F142-F185 HydrophobicContact CE1-CZ 4.32Å; F142-F185 HydrophobicContact CZ-CB 4.17Å; F142-F185 AromaticContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CG 4.01Å; L163-F185 HydrophobicContact CB-CE1 4.3Å; L163-F185 HydrophobicContact CB-CZ 4.15Å; L163-F185 HydrophobicContact CD1-CD1 3.67Å; L163-F185 HydrophobicContact CD1-CE1 3.66Å; L163-F185 HydrophobicContact CD1-CG 4.21Å; L163-F185 HydrophobicContact CD1-CZ 4.16Å; L163-F185 HydrophobicContact CD2-CD1 4.37Å; L163-F185 HydrophobicContact CD2-CE1 3.73Å; L163-F185 HydrophobicContact CD2-CZ 4.37Å; L163-F185 HydrophobicContact CG-CE1 4.1Å; L163-F185 HydrophobicContact CG-CZ 4.46Å; M181-F185 VanDerWaalsContact O-CD2 3.28Å; M181-F185 WeakPolarHBondContact O-CD2 3.44Å; M181-F185 PolarHBondContact O-N 2.69Å; M181-F185 VanDerWaalsContact O-N 3.08Å; I182-F185 PolarHBondContact O-N 2.75Å; F185-E187 VanDerWaalsContact C-N 3.29Å; F185-E187 PolarHBondContact O-N 3.29Å; F185-R188 PolarHBondContact O-N 2.98Å; F185-R189 HydrophobicContact CD1-CG 4.26Å; F185-R189 PolarHBondContact O-N 2.96Å; F185-F190 HydrophobicContact CB-CD2 4.07Å; F185-F190 HydrophobicContact CB-CE1 4.01Å; F185-F190 HydrophobicContact CB-CE2 3.41Å; F185-F190 VanDerWaalsContact CB-CE2 3.41Å; F185-F190 HydrophobicContact CB-CZ 3.4Å; F185-F190 VanDerWaalsContact CB-CZ 3.4Å; F185-F190 HydrophobicContact CG-CZ 4.33Å; F185-F190 WeakPolarHBondContact O-CD2 3.46Å; F185-F190 WeakPolarHBondContact O-CG 3.38Å; F185-F190 PolarHBondContact O-N 3.41Å
186	C	97.6	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-56.1	-47.2	166.6	-70.7	0	0	0	0	110.7	I182 S183 D184 F190 L191 V264 Q268	I182-C186 PolarHBondContact O-N 3.43Å; I182-C186 PolarHBondContact O-SG 3.41Å; S183-C186 WeakPolarHBondContact O-CB 3.46Å; S183-C186 PolarHBondContact O-N 2.62Å; D184-C186 VanDerWaalsContact C-N 3.29Å; D184-C186 PolarHBondContact O-N 3.29Å; C186-F190 HydrophobicContact CB-CD2 4.31Å; C186-F190 VanDerWaalsContact N-CD2 3.33Å; C186-L191 WeakPolarHBondContact O-CB 3.49Å; C186-L191 VanDerWaalsContact O-CG 3.23Å; C186-L191 WeakPolarHBondContact O-CG 3.25Å; C186-L191 PolarHBondContact O-N 3.14Å; C186-L191 VanDerWaalsContact O-N 3.15Å; C186-V264 HydrophobicContact CB-CG1 4.19Å; C186-Q268 HydrophobicContact CB-CB 3.8Å; C186-Q268 HydrophobicContact CB-CG 3.83Å
187	E	92.7	Very high	97.7	Very high	117 Å²	117	45.2 Å²	45.2	55%	0.547	22%	0.217	S	C	.	.	I	π-helix	trans	-73.9	-40.5	179.4	-63.8	-173	166.6	0	0	112.7	D184 F185 Q268 R272	D184-E187 PolarHBondContact O-N 2.79Å; F185-E187 VanDerWaalsContact C-N 3.29Å; F185-E187 PolarHBondContact O-N 3.29Å; E187-Q268 PolarHBondContact OE1-NE2 3.21Å; E187-Q268 VanDerWaalsContact OE1-NE2 3.15Å; E187-R272 IonicContact OE1-CZ 3.76Å; E187-R272 IonicContact OE1-NH1 3.95Å; E187-R272 IonicContact OE1-NH2 3.37Å; E187-R272 PolarHBondContact OE1-NH2 3.12Å
188	R	94	Very high	97.7	Very high	161 Å²	161	43.8 Å²	43.8	61%	0.608	21%	0.212	S	C	*	.	I	π-helix	trans	-76.2	-32.8	-173.5	-64.7	174	-167.7	-177.5	11	113.5	D184 F185	D184-R188 WeakPolarHBondContact O-CG 3.02Å; D184-R188 PolarHBondContact O-N 2.83Å; D184-R188 VanDerWaalsContact O-N 3.12Å; D184-R188 IonicContact OD2-CZ 2.76Å; D184-R188 IonicContact OD2-NH2 3.9Å; D184-R188 PolarHBondContact OD2-NH2 3.13Å; F185-R188 PolarHBondContact O-N 2.98Å
189	R	95.9	Very high	97.7	Very high	70 Å²	70	43 Å²	43	26%	0.264	21%	0.209	S	C	.	.	I	π-helix	trans	-140.6	-56.9	-170.2	-66.3	-166.3	72.4	166.2	0.7	113.6	S161 F185 L191 S192 E193	S161-R189 PolarHBondContact OG-NH2 3.45Å; F185-R189 HydrophobicContact CD1-CG 4.26Å; F185-R189 PolarHBondContact O-N 2.96Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.37Å; R189-S192 PolarHBondContact O-N 2.67Å; R189-S192 PolarHBondContact O-OG 3.3Å; R189-E193 IonicContact CZ-OE1 3.59Å; R189-E193 VanDerWaalsContact CZ-OE1 3.28Å; R189-E193 IonicContact CZ-OE2 3.49Å; R189-E193 IonicContact NE-OE1 2.73Å; R189-E193 PolarHBondContact NE-OE1 3.39Å; R189-E193 IonicContact NE-OE2 3.56Å; R189-E193 PolarHBondContact NE-OE2 3.08Å; R189-E193 IonicContact NH2-OE1 3.49Å; R189-E193 PolarHBondContact NH2-OE1 3.04Å; R189-E193 IonicContact NH2-OE2 3.73Å; R189-E193 PolarHBondContact O-N 2.83Å
190	F	98.1	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-61.6	-37.7	-161	-50.5	-35.8	0	0	0	113.2	T109 Y140 F142 I182 F185 C186 S192 E193 V194 L197 V264	T109-F190 HydrophobicContact CG2-CE2 4.11Å; T109-F190 HydrophobicContact CG2-CZ 3.84Å; Y140-F190 HydrophobicContact CD1-CD1 4.32Å; Y140-F190 AromaticContact CD1-CE1 3.59Å; Y140-F190 HydrophobicContact CD1-CE1 3.59Å; Y140-F190 HydrophobicContact CD2-CD1 4.08Å; Y140-F190 AromaticContact CD2-CE1 3.57Å; Y140-F190 HydrophobicContact CD2-CE1 3.57Å; Y140-F190 HydrophobicContact CD2-CZ 4.28Å; Y140-F190 AromaticContact CE1-CD1 3.91Å; Y140-F190 HydrophobicContact CE1-CD1 3.91Å; Y140-F190 AromaticContact CE1-CE1 3.65Å; Y140-F190 HydrophobicContact CE1-CE1 3.65Å; Y140-F190 AromaticContact CE2-CD1 3.66Å; Y140-F190 HydrophobicContact CE2-CD1 3.66Å; Y140-F190 AromaticContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CG-CD1 4.37Å; Y140-F190 AromaticContact CG-CE1 3.52Å; Y140-F190 HydrophobicContact CG-CE1 3.52Å; Y140-F190 HydrophobicContact CG-CZ 4.19Å; Y140-F190 AromaticContact CZ-CD1 3.54Å; Y140-F190 AromaticContact CZ-CE1 3.66Å; F142-F190 HydrophobicContact CE2-CZ 4.19Å; F142-F190 AromaticContact CZ-CZ 3.9Å; F142-F190 HydrophobicContact CZ-CZ 3.9Å; I182-F190 HydrophobicContact CG2-CE2 4.38Å; F185-F190 HydrophobicContact CB-CD2 4.07Å; F185-F190 HydrophobicContact CB-CE1 4.01Å; F185-F190 HydrophobicContact CB-CE2 3.41Å; F185-F190 VanDerWaalsContact CB-CE2 3.41Å; F185-F190 HydrophobicContact CB-CZ 3.4Å; F185-F190 VanDerWaalsContact CB-CZ 3.4Å; F185-F190 HydrophobicContact CG-CZ 4.33Å; F185-F190 WeakPolarHBondContact O-CD2 3.46Å; F185-F190 WeakPolarHBondContact O-CG 3.38Å; F185-F190 PolarHBondContact O-N 3.41Å; C186-F190 HydrophobicContact CB-CD2 4.31Å; C186-F190 VanDerWaalsContact N-CD2 3.33Å; F190-S192 PolarHBondContact O-N 3.21Å; F190-E193 PolarHBondContact O-N 2.83Å; F190-E193 VanDerWaalsContact O-N 3.08Å; F190-V194 HydrophobicContact CB-CG2 4.08Å; F190-V194 PolarHBondContact O-N 3.06Å; F190-L197 HydrophobicContact CB-CD1 3.89Å; F190-L197 HydrophobicContact CB-CD2 4.24Å; F190-L197 HydrophobicContact CB-CG 4.39Å; F190-L197 HydrophobicContact CD1-CD2 4.25Å; F190-L197 HydrophobicContact CD2-CD1 3.42Å; F190-L197 VanDerWaalsContact CD2-CD1 3.42Å; F190-L197 HydrophobicContact CD2-CD2 3.91Å; F190-L197 HydrophobicContact CD2-CG 4.3Å; F190-L197 HydrophobicContact CE2-CD1 4.16Å; F190-L197 HydrophobicContact CE2-CD2 4.25Å; F190-L197 HydrophobicContact CG-CD1 3.89Å; F190-L197 HydrophobicContact CG-CD2 3.89Å; F190-L197 HydrophobicContact CG-CG 4.43Å; F190-V264 HydrophobicContact CB-CG1 3.88Å; F190-V264 HydrophobicContact CB-CG2 4.26Å
191	L	96.3	Very high	97.7	Very high	98 Å²	98	42.5 Å²	42.5	51%	0.513	21%	0.208	S	C	.	.	H	α-helix	trans	-57.6	-23.7	177.4	-79.2	170.8	0	0	0	114	C186 R189 V264	C186-L191 WeakPolarHBondContact O-CB 3.49Å; C186-L191 VanDerWaalsContact O-CG 3.23Å; C186-L191 WeakPolarHBondContact O-CG 3.25Å; C186-L191 PolarHBondContact O-N 3.14Å; C186-L191 VanDerWaalsContact O-N 3.15Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.37Å; L191-V264 HydrophobicContact CB-CG1 4.42Å; L191-V264 HydrophobicContact CD2-CB 4.07Å; L191-V264 HydrophobicContact CD2-CG1 3.6Å; L191-V264 HydrophobicContact CG-CG1 3.71Å
192	S	97.3	Very high	97.8	Very high	103 Å²	103	41.5 Å²	41.5	72%	0.72	20%	0.204	S	C	*	.	H	α-helix	trans	-102	-12.6	-179.7	66.4	0	0	0	0	114.1	R189 F190	R189-S192 PolarHBondContact O-N 2.67Å; R189-S192 PolarHBondContact O-OG 3.3Å; F190-S192 PolarHBondContact O-N 3.21Å
193	E	98.5	Very high	97.7	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-114	-32.1	-169	-69.3	-178.4	170	0	0	113.2	H138 Y140 R189 F190	H138-E193 IonicContact CE1-OE2 3.52Å; H138-E193 PolarHBondContact CE1-OE2 3.03Å; H138-E193 VanDerWaalsContact CE1-OE2 3.24Å; H138-E193 IonicContact ND1-OE2 2.82Å; Y140-E193 WeakPolarHBondContact CE1-OE2 3.28Å; Y140-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y140-E193 VanDerWaalsContact OH-CB 3.3Å; Y140-E193 WeakPolarHBondContact OH-CB 3.23Å; Y140-E193 PolarHBondContact OH-OE2 2.67Å; R189-E193 IonicContact CZ-OE1 3.59Å; R189-E193 VanDerWaalsContact CZ-OE1 3.28Å; R189-E193 IonicContact CZ-OE2 3.49Å; R189-E193 IonicContact NE-OE1 2.73Å; R189-E193 PolarHBondContact NE-OE1 3.39Å; R189-E193 IonicContact NE-OE2 3.56Å; R189-E193 PolarHBondContact NE-OE2 3.08Å; R189-E193 IonicContact NH2-OE1 3.49Å; R189-E193 PolarHBondContact NH2-OE1 3.04Å; R189-E193 IonicContact NH2-OE2 3.73Å; R189-E193 PolarHBondContact O-N 2.83Å; F190-E193 PolarHBondContact O-N 2.83Å; F190-E193 VanDerWaalsContact O-N 3.08Å
194	V	98.8	Very high	97.7	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	21%	0.208	C	C	.	.			trans	-140.1	154.3	-172.2	-55.4	0	0	0	0	112.3	T105 H138 Y140 F190 L197 V264	T105-V194 HydrophobicContact CG2-CB 4.42Å; T105-V194 HydrophobicContact CG2-CG1 3.94Å; H138-V194 HydrophobicContact CB-CG1 3.94Å; Y140-V194 HydrophobicContact CE2-CG1 4.13Å; Y140-V194 WeakPolarHBondContact OH-CG1 3.49Å; F190-V194 HydrophobicContact CB-CG2 4.08Å; F190-V194 PolarHBondContact O-N 3.06Å; V194-L197 HydrophobicContact CG2-CD2 3.96Å; V194-L197 HydrophobicContact CG2-CG 4.13Å; V194-V264 HydrophobicContact CG2-CG2 3.77Å; V194-V264 VanDerWaalsContact O-CG2 3.25Å; V194-V264 WeakPolarHBondContact O-CG2 3.27Å
195	D	98.7	Very high	97.8	Very high	78 Å²	78	41.5 Å²	41.5	42%	0.417	20%	0.202	S	C	.	.	S	Bend	trans	-87.9	-39.6	177.8	-56.1	-61.7	0	0	0	111.4	T104 T105 V264	T104-D195 WeakPolarHBondContact CA-OD2 3.29Å; T104-D195 HydrophobicContact CG2-CB 4.26Å; T105-D195 PolarHBondContact N-OD2 3.46Å; T105-D195 PolarHBondContact O-N 3.18Å; D195-V264 PolarHBondContact O-N 3.16Å
196	Y	98.9	Very high	97.8	Very high	41 Å²	41	40.2 Å²	40.2	16%	0.161	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.3	-178.7	-63.8	-89.9	0	0	0	110.9	F99 T104 T105 G107 L215 T216 G262	F99-Y196 HydrophobicContact CE1-CE2 4.07Å; T104-Y196 HydrophobicContact CG2-CD2 3.67Å; T104-Y196 HydrophobicContact CG2-CE2 3.89Å; T105-Y196 PolarHBondContact O-N 2.9Å; G107-Y196 PolarHBondContact N-O 2.9Å; Y196-L215 HydrophobicContact CD1-CB 4.33Å; Y196-L215 HydrophobicContact CD1-CD2 4.39Å; Y196-L215 HydrophobicContact CD2-CD1 4.15Å; Y196-L215 HydrophobicContact CD2-CD2 4.47Å; Y196-L215 HydrophobicContact CE1-CB 4.41Å; Y196-L215 HydrophobicContact CG-CB 4.43Å; Y196-L215 HydrophobicContact CG-CD1 4.48Å; Y196-L215 HydrophobicContact CG-CD2 3.99Å; Y196-T216 WeakPolarHBondContact CE1-O 3.37Å; Y196-G262 CarbonylContact C-O 3.1Å; Y196-G262 VanDerWaalsContact CA-O 3.25Å; Y196-G262 WeakPolarHBondContact CA-O 3.46Å; Y196-G262 WeakPolarHBondContact CB-O 3.22Å
197	L	98.9	Very high	97.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.8	170.4	-75.9	165.3	0	0	0	110.3	G107 T109 Y140 F190 V194 G261 G262 V264 V267	G107-L197 CarbonylContact O-C 3.31Å; G107-L197 WeakPolarHBondContact O-CA 3.37Å; T109-L197 HydrophobicContact CG2-CD2 3.88Å; Y140-L197 HydrophobicContact CE2-CD2 4.47Å; F190-L197 HydrophobicContact CB-CD1 3.89Å; F190-L197 HydrophobicContact CB-CD2 4.24Å; F190-L197 HydrophobicContact CB-CG 4.39Å; F190-L197 HydrophobicContact CD1-CD2 4.25Å; F190-L197 HydrophobicContact CD2-CD1 3.42Å; F190-L197 VanDerWaalsContact CD2-CD1 3.42Å; F190-L197 HydrophobicContact CD2-CD2 3.91Å; F190-L197 HydrophobicContact CD2-CG 4.3Å; F190-L197 HydrophobicContact CE2-CD1 4.16Å; F190-L197 HydrophobicContact CE2-CD2 4.25Å; F190-L197 HydrophobicContact CG-CD1 3.89Å; F190-L197 HydrophobicContact CG-CD2 3.89Å; F190-L197 HydrophobicContact CG-CG 4.43Å; V194-L197 HydrophobicContact CG2-CD2 3.96Å; V194-L197 HydrophobicContact CG2-CG 4.13Å; L197-G261 CarbonylContact O-C 3.58Å; L197-G261 WeakPolarHBondContact O-CA 3.19Å; L197-G262 PolarHBondContact N-O 2.8Å; L197-G262 PolarHBondContact O-N 2.85Å; L197-V264 HydrophobicContact CD1-CB 4.38Å; L197-V264 HydrophobicContact CD1-CG1 4.11Å; L197-V264 HydrophobicContact CD1-CG2 4.13Å; L197-V264 HydrophobicContact CG-CG2 4.13Å; L197-V267 HydrophobicContact CB-CB 4.32Å; L197-V267 HydrophobicContact CB-CG1 4.21Å; L197-V267 HydrophobicContact CB-CG2 4.03Å; L197-V267 HydrophobicContact CD1-CB 4.23Å; L197-V267 HydrophobicContact CD1-CG1 3.97Å
198	V	98.9	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.4	168.1	178.8	0	0	0	0	107.4	I106 G107 L108 T109 F131 V200 I214 F219 F259	I106-V198 HydrophobicContact CG2-CG2 3.98Å; G107-V198 PolarHBondContact O-N 3.32Å; L108-V198 WeakPolarHBondContact CA-O 3.25Å; L108-V198 HydrophobicContact CD1-CB 3.78Å; L108-V198 HydrophobicContact CD1-CG1 3.62Å; T109-V198 PolarHBondContact N-O 2.95Å; F131-V198 HydrophobicContact CE2-CB 4.37Å; F131-V198 HydrophobicContact CE2-CG1 4.23Å; F131-V198 HydrophobicContact CE2-CG2 4.25Å; F131-V198 HydrophobicContact CZ-CB 4.14Å; F131-V198 HydrophobicContact CZ-CG1 4.45Å; F131-V198 HydrophobicContact CZ-CG2 4.03Å; V198-V200 HydrophobicContact CG1-CG1 3.88Å; V198-I214 HydrophobicContact CG2-CD1 4.01Å; V198-F219 HydrophobicContact CG1-CZ 4.36Å; V198-F219 HydrophobicContact CG2-CE1 4.46Å; V198-F219 HydrophobicContact CG2-CZ 4.2Å; V198-F259 HydrophobicContact CG1-CD1 4.14Å; V198-F259 HydrophobicContact CG1-CE1 3.49Å; V198-F259 VanDerWaalsContact CG1-CE1 3.49Å; V198-F259 HydrophobicContact CG1-CZ 4.12Å
199	C	98.9	Very high	98.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.8	-176.3	-59	0	0	0	0	109.4	T109 I182 F259 F260	T109-C199 WeakPolarHBondContact OG1-CA 3.3Å; T109-C199 PolarHBondContact OG1-SG 3.24Å; I182-C199 HydrophobicContact CD1-CB 4.17Å; C199-F259 WeakPolarHBondContact O-CA 3.43Å; C199-F260 HydrophobicContact CB-CD1 4.22Å; C199-F260 HydrophobicContact CB-CD2 4Å; C199-F260 HydrophobicContact CB-CE1 3.8Å; C199-F260 HydrophobicContact CB-CE2 3.55Å; C199-F260 HydrophobicContact CB-CG 4.32Å; C199-F260 HydrophobicContact CB-CZ 3.45Å; C199-F260 VanDerWaalsContact CB-CZ 3.45Å; C199-F260 PolarHBondContact N-O 3.03Å; C199-F260 PolarHBondContact O-N 3.38Å; C199-F260 VanDerWaalsContact O-N 3.09Å
200	V	98.8	Very high	98.5	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.1	-172.3	-64.3	0	0	0	0	113.7	L108 T109 F123 V198 G258 F259 F331	L108-V200 HydrophobicContact CD1-CG1 4.36Å; L108-V200 HydrophobicContact CD1-CG2 3.66Å; L108-V200 HydrophobicContact CG-CG2 4.33Å; T109-V200 PolarHBondContact O-N 3.41Å; F123-V200 HydrophobicContact CE2-CG2 3.69Å; F123-V200 HydrophobicContact CZ-CG2 3.53Å; V198-V200 HydrophobicContact CG1-CG1 3.88Å; V200-G258 CarbonylContact C-O 3.56Å; V200-G258 WeakPolarHBondContact CA-O 3.42Å; V200-F259 HydrophobicContact CG1-CB 4.25Å; V200-F259 HydrophobicContact CG1-CD1 3.75Å; V200-F259 HydrophobicContact CG1-CD2 3.99Å; V200-F259 HydrophobicContact CG1-CE1 4.09Å; V200-F259 HydrophobicContact CG1-CE2 4.29Å; V200-F259 HydrophobicContact CG1-CG 3.73Å; V200-F259 HydrophobicContact CG1-CZ 4.35Å; V200-F331 HydrophobicContact CB-CE1 4.2Å; V200-F331 HydrophobicContact CB-CZ 4.06Å; V200-F331 HydrophobicContact CG1-CE1 4.27Å; V200-F331 HydrophobicContact CG1-CZ 4.42Å; V200-F331 HydrophobicContact CG2-CZ 4.36Å
201	D	98.3	Very high	98.5	Very high	37 Å²	37	33 Å²	33	20%	0.198	17%	0.17	C	C	.	.			trans	-72.6	146.4	168.7	-76.4	-2.1	0	0	0	111.5	R178 M204 G258	R178-D201 IonicContact CZ-OD1 3.54Å; R178-D201 IonicContact NH1-OD1 3.49Å; R178-D201 PolarHBondContact NH1-OD1 2.76Å; R178-D201 IonicContact NH2-OD1 2.73Å; D201-M204 HydrophobicContact CB-CE 4.13Å; D201-M204 HydrophobicContact CB-CG 4.12Å; D201-G258 PolarHBondContact N-O 3.11Å; D201-G258 WeakPolarHBondContact OD1-CA 3.47Å; D201-G258 WeakPolarHBondContact OD2-CA 3.5Å
202	V	98.5	Very high	98.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-85.3	-26.3	-174.8	71.9	0	0	0	0	113.4	V110 F111 A112 Y116 F119 L120 F123 M204	V110-V202 HydrophobicContact CG2-CB 3.35Å; V110-V202 HydrophobicContact CG2-CG2 3.46Å; V110-V202 VanDerWaalsContact CG2-CG2 3.46Å; F111-V202 WeakPolarHBondContact O-CB 3.4Å; F111-V202 WeakPolarHBondContact O-CG1 3.3Å; A112-V202 HydrophobicContact CB-CG2 4.29Å; Y116-V202 HydrophobicContact CD1-CG1 3.81Å; Y116-V202 HydrophobicContact CG-CG1 4.36Å; F119-V202 HydrophobicContact CB-CG1 4.32Å; F119-V202 HydrophobicContact CB-CG2 4.07Å; F119-V202 WeakPolarHBondContact CB-O 3.11Å; F119-V202 HydrophobicContact CD2-CG1 4.27Å; L120-V202 HydrophobicContact CD2-CG2 3.8Å; L120-V202 HydrophobicContact CG-CG2 4.21Å; F123-V202 HydrophobicContact CB-CG2 4.46Å; F123-V202 HydrophobicContact CG-CG2 4.44Å; V202-M204 PolarHBondContact O-N 2.93Å
203	D	97.9	Very high	98.7	Very high	16 Å²	16	23.7 Å²	23.7	9%	0.086	11%	0.112	C	C	.	.	S	Bend	trans	-80.7	45.3	-176	52.4	-51.2	0	0	0	112.1	Y116 F119 V334 K336	Y116-D203 HydrophobicContact CD1-CB 4.32Å; Y116-D203 HydrophobicContact CE1-CB 4.23Å; F119-D203 HydrophobicContact CD1-CB 4.22Å; F119-D203 HydrophobicContact CD2-CB 3.88Å; F119-D203 HydrophobicContact CE1-CB 4.22Å; F119-D203 HydrophobicContact CE2-CB 3.88Å; F119-D203 HydrophobicContact CG-CB 4.07Å; F119-D203 HydrophobicContact CZ-CB 4.05Å; D203-V334 PolarHBondContact O-N 3.34Å; D203-K336 HydrophobicContact CB-CD 4.03Å; D203-K336 WeakPolarHBondContact OD2-CD 3.3Å; D203-K336 WeakPolarHBondContact OD2-CE 3.47Å; D203-K336 IonicContact OD2-NZ 3.73Å; D203-K336 PolarHBondContact OD2-NZ 3.29Å
204	M	98.4	Very high	98.8	Very high	11 Å²	11	20.9 Å²	20.9	5%	0.054	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.6	-171.3	-58.4	-68.8	-169.4	0	0	109.6	D201 V202 L314 F331 T332 A333	D201-M204 HydrophobicContact CB-CE 4.13Å; D201-M204 HydrophobicContact CB-CG 4.12Å; V202-M204 PolarHBondContact O-N 2.93Å; M204-L314 HydrophobicContact CE-CD1 3.86Å; M204-L314 HydrophobicContact CE-CD2 3.88Å; M204-L314 HydrophobicContact CE-CG 3.92Å; M204-F331 HydrophobicContact CB-CD1 4.34Å; M204-F331 HydrophobicContact CB-CD2 4.02Å; M204-F331 HydrophobicContact CB-CE1 3.65Å; M204-F331 HydrophobicContact CB-CE2 3.27Å; M204-F331 HydrophobicContact CB-CZ 3.07Å; M204-F331 HydrophobicContact CG-CD1 4.4Å; M204-F331 HydrophobicContact CG-CE1 3.58Å; M204-F331 HydrophobicContact CG-CE2 4.16Å; M204-F331 HydrophobicContact CG-CZ 3.46Å; M204-F331 VanDerWaalsContact CG-CZ 3.46Å; M204-F331 HydrophobicContact SD-CE1 4.37Å; M204-T332 CarbonylContact C-O 3.56Å; M204-T332 VanDerWaalsContact CA-O 3.27Å; M204-T332 WeakPolarHBondContact CA-O 3.21Å; M204-A333 WeakPolarHBondContact SD-CA 3.34Å; M204-A333 HydrophobicContact SD-CB 3.99Å
205	E	98.7	Very high	98.8	Very high	34 Å²	34	20.5 Å²	20.5	16%	0.159	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.8	172	65.7	176.2	159.7	0	0	111	L122 T126 R207 F331 T332 V334	L122-E205 HydrophobicContact CD2-CB 4.06Å; L122-E205 HydrophobicContact CG-CB 4Å; T126-E205 HydrophobicContact CG2-CB 4.28Å; E205-R207 HydrophobicContact CG-CG 4.14Å; E205-R207 IonicContact OE1-CZ 2.7Å; E205-R207 IonicContact OE1-NE 2.62Å; E205-R207 PolarHBondContact OE1-NE 2.61Å; E205-R207 IonicContact OE1-NH2 3.3Å; E205-R207 PolarHBondContact OE1-NH2 3Å; E205-F331 CarbonylContact O-C 3.54Å; E205-F331 WeakPolarHBondContact O-CA 3.46Å; E205-F331 WeakPolarHBondContact O-CD2 3.36Å; E205-T332 WeakPolarHBondContact CG-OG1 3.37Å; E205-T332 PolarHBondContact N-O 2.87Å; E205-T332 PolarHBondContact O-N 3.09Å; E205-V334 HydrophobicContact CB-CG2 4.14Å; E205-V334 HydrophobicContact CG-CG2 4.24Å
206	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	-86.2	133	171.9	-60.7	-97.4	0	0	0	110	L108 F123 T126 A127 H130 F131 V210 R330 F331	L108-F206 HydrophobicContact CD2-CZ 4.36Å; F123-F206 HydrophobicContact CD2-CE2 4.23Å; F123-F206 AromaticContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CZ 4.38Å; F123-F206 HydrophobicContact CZ-CE2 4.02Å; F123-F206 HydrophobicContact CZ-CZ 4.44Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.41Å; T126-F206 PolarHBondContact OG1-N 2.77Å; A127-F206 HydrophobicContact CB-CD2 3.77Å; A127-F206 HydrophobicContact CB-CE2 3.65Å; A127-F206 HydrophobicContact CB-CZ 4.45Å; H130-F206 HydrophobicContact CB-CB 3.71Å; H130-F206 HydrophobicContact CB-CG 4.47Å; H130-F206 PolarHBondContact CD2-O 3.47Å; H130-F206 VanDerWaalsContact CD2-O 3.29Å; F131-F206 HydrophobicContact CB-CD1 4.44Å; F131-F206 HydrophobicContact CB-CE1 4.17Å; F131-F206 HydrophobicContact CB-CZ 4.35Å; F131-F206 AromaticContact CD2-CE1 3.94Å; F131-F206 HydrophobicContact CD2-CE1 3.94Å; F131-F206 HydrophobicContact CD2-CZ 4.21Å; F131-F206 HydrophobicContact CG-CE1 4.41Å; F131-F206 HydrophobicContact CG-CZ 4.47Å; F206-V210 HydrophobicContact CD1-CB 4.25Å; F206-V210 HydrophobicContact CD1-CG2 3.88Å; F206-V210 HydrophobicContact CE1-CB 4.26Å; F206-V210 HydrophobicContact CE1-CG1 4.45Å; F206-V210 HydrophobicContact CE1-CG2 4.15Å; F206-R330 CarbonylContact C-O 3.58Å; F206-R330 WeakPolarHBondContact CA-O 3.43Å; F206-F331 HydrophobicContact CD1-CB 4.32Å; F206-F331 AromaticContact CD1-CD2 3.64Å; F206-F331 HydrophobicContact CD1-CD2 3.64Å; F206-F331 HydrophobicContact CD1-CE2 4.3Å; F206-F331 HydrophobicContact CD1-CG 4.33Å; F206-F331 AromaticContact CD2-CD2 3.87Å; F206-F331 HydrophobicContact CD2-CD2 3.87Å; F206-F331 AromaticContact CD2-CE2 3.89Å; F206-F331 HydrophobicContact CD2-CE2 3.89Å; F206-F331 AromaticContact CE1-CD2 3.63Å; F206-F331 HydrophobicContact CE1-CD2 3.63Å; F206-F331 AromaticContact CE1-CE2 3.97Å; F206-F331 HydrophobicContact CE1-CE2 3.97Å; F206-F331 HydrophobicContact CE1-CG 4.24Å; F206-F331 AromaticContact CE2-CD2 3.86Å; F206-F331 HydrophobicContact CE2-CD2 3.86Å; F206-F331 AromaticContact CE2-CE2 3.52Å; F206-F331 HydrophobicContact CE2-CE2 3.52Å; F206-F331 AromaticContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CE2 4.26Å; F206-F331 AromaticContact CZ-CD2 3.74Å; F206-F331 HydrophobicContact CZ-CD2 3.74Å; F206-F331 AromaticContact CZ-CE2 3.57Å; F206-F331 HydrophobicContact CZ-CE2 3.57Å; F206-F331 HydrophobicContact CZ-CZ 4.34Å
207	R	98.8	Very high	98.8	Very high	103 Å²	103	18.6 Å²	18.6	39%	0.389	9%	0.093	S	C	.	.			trans	-122.2	-18.2	-178.7	-67.4	-170.7	174.9	-179.1	5.8	113.9	E205 L329 R330 T332	E205-R207 HydrophobicContact CG-CG 4.14Å; E205-R207 IonicContact OE1-CZ 2.7Å; E205-R207 IonicContact OE1-NE 2.62Å; E205-R207 PolarHBondContact OE1-NE 2.61Å; E205-R207 IonicContact OE1-NH2 3.3Å; E205-R207 PolarHBondContact OE1-NH2 3Å; R207-L329 WeakPolarHBondContact CB-O 3.49Å; R207-R330 PolarHBondContact N-O 2.84Å; R207-T332 VanDerWaalsContact CD-OG1 3.3Å; R207-T332 WeakPolarHBondContact CD-OG1 3.43Å; R207-T332 PolarHBondContact NE-OG1 2.7Å; R207-T332 VanDerWaalsContact NE-OG1 3.09Å
208	D	98.9	Very high	98.8	Very high	45 Å²	45	18.7 Å²	18.7	24%	0.241	9%	0.094	C	C	.	.	S	Bend	trans	-151.3	172.8	176.9	-154.6	-32	0	0	0	109.2	H130 V210 K328 R330	H130-D208 WeakPolarHBondContact CB-O 3.37Å; D208-V210 PolarHBondContact O-N 3.4Å; D208-K328 IonicContact OD1-NZ 3.48Å; D208-K328 PolarHBondContact OD1-NZ 2.83Å; D208-K328 WeakPolarHBondContact OD2-CD 3.49Å; D208-K328 WeakPolarHBondContact OD2-CE 3.3Å; D208-K328 WeakPolarHBondContact OD2-CG 3.5Å; D208-K328 IonicContact OD2-NZ 3.81Å; D208-K328 PolarHBondContact OD2-NZ 3.11Å; D208-R330 HydrophobicContact CB-CB 4.42Å; D208-R330 HydrophobicContact CB-CG 4.28Å; D208-R330 PolarHBondContact N-O 2.69Å
209	H	98.9	Very high	98.8	Very high	48 Å²	48	18.8 Å²	18.8	22%	0.222	9%	0.094	C	C	.	.			trans	-48.6	124.7	-177	176.3	83.3	0	0	0	113.5	I92 G211 E213 R330	I92-H209 WeakPolarHBondContact CD1-NE2 3.44Å; H209-G211 WeakPolarHBondContact NE2-CA 3.44Å; H209-G211 PolarHBondContact NE2-N 3.12Å; H209-E213 IonicContact CD2-OE1 3.43Å; H209-E213 PolarHBondContact CD2-OE1 2.97Å; H209-E213 IonicContact CD2-OE2 3.57Å; H209-E213 IonicContact CE1-OE2 3.67Å; H209-E213 IonicContact NE2-OE1 3.82Å; H209-E213 IonicContact NE2-OE2 2.88Å; H209-E213 PolarHBondContact NE2-OE2 2.93Å; H209-R330 WeakPolarHBondContact O-CD 3.5Å; H209-R330 PolarHBondContact O-NH1 2.93Å
210	V	98.9	Very high	98.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-127.9	102.4	165.6	178.4	0	0	0	0	107.2	H130 F131 M132 F206 D208 I214 F259 Y313 R330	H130-V210 PolarHBondContact O-N 3.38Å; F131-V210 CarbonylContact C-O 3.52Å; F131-V210 WeakPolarHBondContact CA-O 3.28Å; F131-V210 HydrophobicContact CD2-CB 4.37Å; F131-V210 HydrophobicContact CD2-CG1 3.99Å; F131-V210 HydrophobicContact CE2-CG1 4.33Å; M132-V210 PolarHBondContact N-O 3.4Å; F206-V210 HydrophobicContact CD1-CB 4.25Å; F206-V210 HydrophobicContact CD1-CG2 3.88Å; F206-V210 HydrophobicContact CE1-CB 4.26Å; F206-V210 HydrophobicContact CE1-CG1 4.45Å; F206-V210 HydrophobicContact CE1-CG2 4.15Å; D208-V210 PolarHBondContact O-N 3.4Å; V210-I214 HydrophobicContact CG1-CD1 3.9Å; V210-I214 HydrophobicContact CG1-CG2 4.47Å; V210-F259 HydrophobicContact CG1-CZ 4.08Å; V210-Y313 HydrophobicContact CG1-CD1 4.16Å; V210-Y313 HydrophobicContact CG1-CE1 4.25Å; V210-Y313 HydrophobicContact CG2-CD1 4.16Å; V210-Y313 HydrophobicContact CG2-CE1 4.36Å; V210-R330 HydrophobicContact CG2-CB 3.68Å
211	G	98.9	Very high	98.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	9%	0.093	C	C	.	.			trans	-129.2	-157.9	-171	0	0	0	0	0	114	M132 H209 E213 I214	M132-G211 WeakPolarHBondContact CE-O 3.41Å; H209-G211 WeakPolarHBondContact NE2-CA 3.44Å; H209-G211 PolarHBondContact NE2-N 3.12Å; G211-E213 WeakPolarHBondContact CA-OE2 3.4Å; G211-E213 PolarHBondContact N-OE1 2.82Å; G211-E213 PolarHBondContact N-OE2 3.41Å; G211-E213 VanDerWaalsContact N-OE2 3.16Å; G211-E213 PolarHBondContact O-N 3.17Å; G211-I214 WeakPolarHBondContact O-CG1 3.28Å; G211-I214 PolarHBondContact O-N 3.04Å
212	V	98.8	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-65.1	-10.8	-173.4	-64.2	0	0	0	0	114	I92 L95 N96 F99 M132 H135 I214 L215	I92-V212 HydrophobicContact CD1-CG2 4.23Å; L95-V212 HydrophobicContact CB-CG2 3.84Å; N96-V212 WeakPolarHBondContact OD1-CG2 3.48Å; F99-V212 HydrophobicContact CB-CB 4.2Å; F99-V212 HydrophobicContact CB-CG1 3.95Å; F99-V212 HydrophobicContact CB-CG2 4.49Å; F99-V212 HydrophobicContact CD2-CB 3.63Å; F99-V212 HydrophobicContact CD2-CG1 4.31Å; F99-V212 HydrophobicContact CD2-CG2 3.87Å; F99-V212 HydrophobicContact CE2-CB 4.14Å; F99-V212 HydrophobicContact CG-CB 3.93Å; F99-V212 HydrophobicContact CG-CG1 4.11Å; F99-V212 HydrophobicContact CG-CG2 4.44Å; M132-V212 HydrophobicContact SD-CG1 4Å; H135-V212 VanDerWaalsContact CE1-CG1 3.44Å; H135-V212 WeakPolarHBondContact CE1-CG1 3.35Å; H135-V212 WeakPolarHBondContact NE2-CG1 3.11Å; V212-I214 PolarHBondContact O-N 2.88Å; V212-L215 HydrophobicContact CB-CD1 4.01Å; V212-L215 HydrophobicContact CB-CG 4.44Å; V212-L215 HydrophobicContact CG1-CD1 3.78Å; V212-L215 PolarHBondContact O-N 2.87Å; V212-L215 VanDerWaalsContact O-N 3.07Å
213	E	98.9	Very high	98.8	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.019	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.8	172.4	75.1	-76.2	175.6	0	0	113.4	V85 F90 I92 L95 H209 G211 K307 Y313	V85-E213 HydrophobicContact CG1-CB 4.35Å; V85-E213 HydrophobicContact CG1-CG 3.77Å; F90-E213 HydrophobicContact CD1-CB 4.17Å; F90-E213 HydrophobicContact CD1-CG 4.2Å; F90-E213 HydrophobicContact CD2-CB 3.86Å; F90-E213 HydrophobicContact CD2-CG 4.25Å; F90-E213 HydrophobicContact CE1-CB 4.34Å; F90-E213 HydrophobicContact CE1-CG 3.89Å; F90-E213 HydrophobicContact CE2-CB 4.04Å; F90-E213 HydrophobicContact CE2-CG 3.93Å; F90-E213 HydrophobicContact CG-CB 3.94Å; F90-E213 HydrophobicContact CG-CG 4.38Å; F90-E213 HydrophobicContact CZ-CB 4.28Å; F90-E213 HydrophobicContact CZ-CG 3.74Å; I92-E213 WeakPolarHBondContact CD1-OE2 3.47Å; L95-E213 HydrophobicContact CD1-CB 3.6Å; H209-E213 IonicContact CD2-OE1 3.43Å; H209-E213 PolarHBondContact CD2-OE1 2.97Å; H209-E213 IonicContact CD2-OE2 3.57Å; H209-E213 IonicContact CE1-OE2 3.67Å; H209-E213 IonicContact NE2-OE1 3.82Å; H209-E213 IonicContact NE2-OE2 2.88Å; H209-E213 PolarHBondContact NE2-OE2 2.93Å; G211-E213 WeakPolarHBondContact CA-OE2 3.4Å; G211-E213 PolarHBondContact N-OE1 2.82Å; G211-E213 PolarHBondContact N-OE2 3.41Å; G211-E213 VanDerWaalsContact N-OE2 3.16Å; G211-E213 PolarHBondContact O-N 3.17Å; E213-K307 WeakPolarHBondContact O-CD 3.43Å; E213-K307 PolarHBondContact O-NZ 2.76Å; E213-Y313 WeakPolarHBondContact CG-OH 3.32Å; E213-Y313 WeakPolarHBondContact OE1-CE1 3.28Å; E213-Y313 PolarHBondContact OE1-OH 3.49Å
214	I	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-81.5	-21.1	177.6	80.7	-176.8	0	0	0	112.7	M132 V198 V210 G211 V212 T216 F219 F259 L309 Y313	M132-I214 HydrophobicContact CE-CD1 3.51Å; M132-I214 HydrophobicContact CE-CG1 3.65Å; V198-I214 HydrophobicContact CG2-CD1 4.01Å; V210-I214 HydrophobicContact CG1-CD1 3.9Å; V210-I214 HydrophobicContact CG1-CG2 4.47Å; G211-I214 WeakPolarHBondContact O-CG1 3.28Å; G211-I214 PolarHBondContact O-N 3.04Å; V212-I214 PolarHBondContact O-N 2.88Å; I214-T216 PolarHBondContact O-N 3.48Å; I214-F219 HydrophobicContact CD1-CZ 4.31Å; I214-F219 HydrophobicContact CG1-CE1 4.48Å; I214-F219 WeakPolarHBondContact O-CD1 3.42Å; I214-F259 HydrophobicContact CD1-CE1 4.08Å; I214-F259 HydrophobicContact CD1-CZ 3.99Å; I214-L309 HydrophobicContact CB-CD1 3.97Å; I214-L309 HydrophobicContact CB-CD2 3.77Å; I214-L309 HydrophobicContact CG2-CD1 3.9Å; I214-L309 HydrophobicContact CG2-CD2 3.79Å; I214-Y313 HydrophobicContact CG2-CD1 3.82Å; I214-Y313 HydrophobicContact CG2-CE1 3.34Å
215	L	98.9	Very high	98.8	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.108	C	C	.	.			trans	-72	131.2	-170.9	-59.8	-178.6	0	0	0	111.6	F99 T104 I106 M132 Y196 V212 K307	F99-L215 HydrophobicContact CD1-CD1 3.94Å; F99-L215 HydrophobicContact CE1-CB 3.78Å; F99-L215 HydrophobicContact CE1-CD1 3.93Å; F99-L215 HydrophobicContact CZ-CB 3.78Å; F99-L215 HydrophobicContact CZ-CD1 4.49Å; T104-L215 HydrophobicContact CG2-CD1 4.12Å; I106-L215 HydrophobicContact CD1-CD1 4.24Å; I106-L215 HydrophobicContact CG1-CD1 3.78Å; I106-L215 HydrophobicContact CG1-CD2 4.17Å; I106-L215 HydrophobicContact CG2-CD2 4.32Å; M132-L215 HydrophobicContact CE-CD2 3.74Å; M132-L215 HydrophobicContact CE-CG 4.05Å; M132-L215 HydrophobicContact SD-CD1 4.46Å; Y196-L215 HydrophobicContact CD1-CB 4.33Å; Y196-L215 HydrophobicContact CD1-CD2 4.39Å; Y196-L215 HydrophobicContact CD2-CD1 4.15Å; Y196-L215 HydrophobicContact CD2-CD2 4.47Å; Y196-L215 HydrophobicContact CE1-CB 4.41Å; Y196-L215 HydrophobicContact CG-CB 4.43Å; Y196-L215 HydrophobicContact CG-CD1 4.48Å; Y196-L215 HydrophobicContact CG-CD2 3.99Å; V212-L215 HydrophobicContact CB-CD1 4.01Å; V212-L215 HydrophobicContact CB-CG 4.44Å; V212-L215 HydrophobicContact CG1-CD1 3.78Å; V212-L215 PolarHBondContact O-N 2.87Å; V212-L215 VanDerWaalsContact O-N 3.07Å; L215-K307 WeakPolarHBondContact O-CE 3.46Å; L215-K307 PolarHBondContact O-NZ 2.9Å
216	T	98.9	Very high	98.8	Very high	15 Å²	15	20.3 Å²	20.3	9%	0.092	11%	0.109	C	C	.	.	S	Bend	trans	-170.4	167.7	-176.4	-164.2	0	0	0	0	108.3	Y196 I214 L218 F219 G262 S263 T306 K307	Y196-T216 WeakPolarHBondContact CE1-O 3.37Å; I214-T216 PolarHBondContact O-N 3.48Å; T216-L218 VanDerWaalsContact C-N 3.31Å; T216-L218 VanDerWaalsContact CG2-O 3.25Å; T216-L218 WeakPolarHBondContact CG2-O 3.4Å; T216-L218 PolarHBondContact O-N 3.29Å; T216-F219 HydrophobicContact CG2-CB 3.74Å; T216-F219 HydrophobicContact CG2-CD1 4.14Å; T216-F219 HydrophobicContact CG2-CG 4.43Å; T216-G262 CarbonylContact O-C 3.55Å; T216-G262 VanDerWaalsContact O-CA 3.31Å; T216-G262 WeakPolarHBondContact O-CA 3.37Å; T216-S263 PolarHBondContact O-N 3.29Å; T216-T306 WeakPolarHBondContact CB-OG1 3.41Å; T216-T306 VanDerWaalsContact CG2-OG1 3.25Å; T216-T306 WeakPolarHBondContact CG2-OG1 3.1Å; T216-T306 WeakPolarHBondContact OG1-CB 3.47Å; T216-T306 PolarHBondContact OG1-OG1 3.34Å; T216-K307 HydrophobicContact CG2-CB 3.7Å; T216-K307 HydrophobicContact CG2-CD 3.99Å; T216-K307 HydrophobicContact CG2-CG 3.79Å
217	P	98.8	Very high	98.8	Very high	63 Å²	63	24.3 Å²	24.3	41%	0.409	13%	0.125	S	C	.	.	S	Bend	trans	-53.6	-44.2	177.3	-31.5	38	0	0	0	113.9	G262 S263 E266 T306	P217-G262 CarbonylContact O-C 3.45Å; P217-G262 WeakPolarHBondContact O-CA 3.23Å; P217-S263 PolarHBondContact O-N 2.85Å; P217-E266 HydrophobicContact CB-CG 4.14Å; P217-E266 WeakPolarHBondContact O-CB 3.34Å; P217-E266 VanDerWaalsContact O-CG 3.26Å; P217-E266 WeakPolarHBondContact O-CG 3.37Å; P217-T306 HydrophobicContact CB-CG2 4.3Å; P217-T306 WeakPolarHBondContact CD-OG1 3.39Å; P217-T306 HydrophobicContact CG-CG2 4.47Å
218	L	98.9	Very high	98.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.4	177.1	179.6	63.7	0	0	0	110.7	T216 E266 L270 Y299 L300 P305 T306 K307	T216-L218 VanDerWaalsContact C-N 3.31Å; T216-L218 VanDerWaalsContact CG2-O 3.25Å; T216-L218 WeakPolarHBondContact CG2-O 3.4Å; T216-L218 PolarHBondContact O-N 3.29Å; L218-E266 HydrophobicContact CB-CB 4.28Å; L218-E266 HydrophobicContact CB-CG 4.45Å; L218-L270 HydrophobicContact CD1-CD1 3.72Å; L218-Y299 HydrophobicContact CD2-CE1 4.07Å; L218-L300 HydrophobicContact CD1-CD2 4.3Å; L218-L300 HydrophobicContact CD2-CD2 3.88Å; L218-L300 HydrophobicContact CG-CD2 4.13Å; L218-P305 HydrophobicContact CG-CB 4.34Å; L218-P305 CarbonylContact O-C 3.54Å; L218-T306 PolarHBondContact N-OG1 3.07Å; L218-T306 PolarHBondContact O-N 3.18Å; L218-T306 PolarHBondContact O-OG1 3.4Å; L218-K307 PolarHBondContact O-N 3.22Å
219	F	98.9	Very high	98.7	Very high	1 Å²	1	23 Å²	23	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.4	171.3	71.3	-94.9	0	0	0	113	V198 I214 T216 F259 F260 G261 K307 L309	V198-F219 HydrophobicContact CG1-CZ 4.36Å; V198-F219 HydrophobicContact CG2-CE1 4.46Å; V198-F219 HydrophobicContact CG2-CZ 4.2Å; I214-F219 HydrophobicContact CD1-CZ 4.31Å; I214-F219 HydrophobicContact CG1-CE1 4.48Å; I214-F219 WeakPolarHBondContact O-CD1 3.42Å; T216-F219 HydrophobicContact CG2-CB 3.74Å; T216-F219 HydrophobicContact CG2-CD1 4.14Å; T216-F219 HydrophobicContact CG2-CG 4.43Å; F219-F259 AromaticContact CE2-CD1 3.67Å; F219-F259 HydrophobicContact CE2-CD1 3.67Å; F219-F259 AromaticContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CZ-CD1 4.22Å; F219-F259 AromaticContact CZ-CE1 3.85Å; F219-F259 HydrophobicContact CZ-CE1 3.85Å; F219-F260 VanDerWaalsContact CZ-C 3.48Å; F219-G261 VanDerWaalsContact CD1-C 3.4Å; F219-G261 WeakPolarHBondContact CD1-O 3.25Å; F219-G261 VanDerWaalsContact CZ-CA 3.41Å; F219-G261 VanDerWaalsContact CZ-N 3.32Å; F219-G261 PolarHBondContact N-O 3.35Å; F219-G261 PolarHBondContact O-N 3.4Å; F219-K307 VanDerWaalsContact CA-O 3.23Å; F219-K307 WeakPolarHBondContact CA-O 3.21Å; F219-K307 HydrophobicContact CB-CB 4.29Å; F219-K307 VanDerWaalsContact CB-O 3.29Å; F219-K307 WeakPolarHBondContact CB-O 3.43Å; F219-L309 HydrophobicContact CD2-CD1 3.65Å; F219-L309 HydrophobicContact CD2-CG 3.83Å; F219-L309 HydrophobicContact CE2-CD1 3.63Å; F219-L309 HydrophobicContact CE2-CG 4.33Å
220	G	98.9	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.4	166.1	0	0	0	0	0	110.3	V308 L309	G220-V308 CarbonylContact O-C 3.45Å; G220-V308 WeakPolarHBondContact O-CA 3.22Å; G220-L309 PolarHBondContact O-N 3.14Å
221	T	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.9	-177.3	-54.2	0	0	0	0	110.4	H223 Y255 L256 F259 L309 L314	T221-H223 PolarHBondContact O-N 3.49Å; T221-Y255 CarbonylContact O-C 3.6Å; T221-Y255 VanDerWaalsContact O-CA 3.23Å; T221-Y255 WeakPolarHBondContact O-CA 3.2Å; T221-L256 PolarHBondContact O-N 3.03Å; T221-F259 VanDerWaalsContact CB-O 3.27Å; T221-F259 WeakPolarHBondContact CB-O 3.29Å; T221-F259 HydrophobicContact CG2-CB 4.48Å; T221-F259 PolarHBondContact N-O 2.85Å; T221-F259 PolarHBondContact OG1-O 3.23Å; T221-L309 HydrophobicContact CG2-CB 3.99Å; T221-L314 HydrophobicContact CG2-CB 4.12Å
222	L	98.9	Very high	98.6	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127.3	174.9	-64.5	-178.6	0	0	0	110.2	I84 F253 V308 L309 P311	I84-L222 HydrophobicContact CG2-CD1 4.29Å; L222-F253 HydrophobicContact CD2-CB 3.46Å; L222-F253 VanDerWaalsContact CD2-CB 3.46Å; L222-F253 HydrophobicContact CD2-CD1 3.45Å; L222-F253 VanDerWaalsContact CD2-CD1 3.45Å; L222-F253 HydrophobicContact CD2-CD2 4.31Å; L222-F253 HydrophobicContact CD2-CE1 4.25Å; L222-F253 HydrophobicContact CD2-CG 3.48Å; L222-F253 VanDerWaalsContact CD2-CG 3.48Å; L222-V308 HydrophobicContact CD1-CG1 4.34Å; L222-V308 HydrophobicContact CD2-CG1 3.66Å; L222-V308 HydrophobicContact CG-CG1 3.66Å; L222-L309 WeakPolarHBondContact CG-O 3.23Å; L222-L309 PolarHBondContact N-O 2.73Å; L222-P311 HydrophobicContact CB-CG 4.1Å
223	H	98.8	Very high	98.5	Very high	42 Å²	42	36.2 Å²	36.2	19%	0.194	22%	0.218	C	C	.	.			trans	-68.2	132.6	178.1	-172.3	-68.1	0	0	0	110.8	T221 G225 F226 Y227 Y254 L256 E293	T221-H223 PolarHBondContact O-N 3.49Å; H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact ND1-N 3.24Å; H223-G225 PolarHBondContact O-N 3.27Å; H223-F226 HydrophobicContact CB-CD2 4.27Å; H223-F226 AromaticContact CG-CD2 3.87Å; H223-F226 AromaticContact ND1-CD2 3.48Å; H223-F226 WeakPolarHBondContact ND1-CD2 3.25Å; H223-F226 PolarHBondContact O-N 2.84Å; H223-Y227 PolarHBondContact O-N 3.09Å; H223-Y254 HydrophobicContact CB-CD1 3.59Å; H223-Y254 HydrophobicContact CB-CE1 4.26Å; H223-Y254 WeakPolarHBondContact CB-O 3.37Å; H223-Y254 AromaticContact CD2-CE1 3.82Å; H223-Y254 AromaticContact CG-CD1 3.83Å; H223-Y254 PolarHBondContact N-O 2.89Å; H223-L256 HydrophobicContact CB-CB 4.18Å; H223-L256 HydrophobicContact CB-CD1 4.22Å; H223-L256 HydrophobicContact CB-CG 4.5Å; H223-E293 IonicContact CD2-OE2 3.43Å
224	P	98.4	Very high	98.5	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.058	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.2	-170.9	31.2	-37.4	0	0	0	113.1	Y227 L256 P311 L314 W315 L320	P224-Y227 WeakPolarHBondContact O-CD1 3.36Å; P224-Y227 WeakPolarHBondContact O-CE1 3.42Å; P224-L256 HydrophobicContact CG-CD1 4.3Å; P224-P311 HydrophobicContact CB-CB 4.27Å; P224-L314 HydrophobicContact CG-CD2 4.17Å; P224-W315 HydrophobicContact CB-CD2 4.17Å; P224-W315 HydrophobicContact CB-CE3 3.26Å; P224-W315 HydrophobicContact CB-CH2 4.39Å; P224-W315 HydrophobicContact CB-CZ3 3.39Å; P224-L320 HydrophobicContact CB-CD1 3.59Å; P224-L320 HydrophobicContact CG-CD1 4.08Å
225	G	98.2	Very high	98.5	Very high	37 Å²	37	38.7 Å²	38.7	38%	0.381	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.3	171.7	0	0	0	0	0	116.3	H223	H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact ND1-N 3.24Å; H223-G225 PolarHBondContact O-N 3.27Å
226	F	98.6	Very high	98.5	Very high	40 Å²	40	38.9 Å²	38.9	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-4.5	-169.2	-67.1	-77.1	0	0	0	115.7	H223 G228 S229 F234 T235 Y254	H223-F226 HydrophobicContact CB-CD2 4.27Å; H223-F226 AromaticContact CG-CD2 3.87Å; H223-F226 AromaticContact ND1-CD2 3.48Å; H223-F226 WeakPolarHBondContact ND1-CD2 3.25Å; H223-F226 PolarHBondContact O-N 2.84Å; F226-G228 PolarHBondContact O-N 2.73Å; F226-S229 WeakPolarHBondContact O-CB 3.35Å; F226-S229 PolarHBondContact O-N 3.16Å; F226-F234 HydrophobicContact CB-CD1 4.02Å; F226-F234 HydrophobicContact CB-CE1 4Å; F226-F234 HydrophobicContact CD1-CD1 4.01Å; F226-F234 HydrophobicContact CG-CD1 4.3Å; F226-F234 WeakPolarHBondContact O-CE1 3.36Å; F226-T235 HydrophobicContact CE1-CG2 4.08Å; F226-T235 HydrophobicContact CZ-CG2 3.65Å; F226-Y254 HydrophobicContact CB-CD1 4.24Å; F226-Y254 HydrophobicContact CB-CG 4.26Å; F226-Y254 AromaticContact CD2-CD1 3.4Å; F226-Y254 HydrophobicContact CD2-CD1 3.4Å; F226-Y254 AromaticContact CD2-CE1 3.79Å; F226-Y254 HydrophobicContact CD2-CE1 3.79Å; F226-Y254 HydrophobicContact CD2-CG 4.01Å; F226-Y254 AromaticContact CE2-CD1 3.97Å; F226-Y254 HydrophobicContact CE2-CD1 3.97Å; F226-Y254 AromaticContact CE2-CE1 3.89Å; F226-Y254 HydrophobicContact CE2-CE1 3.89Å; F226-Y254 AromaticContact CG-CD1 4Å; F226-Y254 HydrophobicContact CG-CD1 4Å; F226-Y254 HydrophobicContact CG-CG 4.17Å
227	Y	98	Very high	98.5	Very high	87 Å²	87	38.4 Å²	38.4	34%	0.341	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.7	-175.2	71.8	-83.9	0	0	0	115.1	H223 P224 P311 W315 V325	H223-Y227 PolarHBondContact O-N 3.09Å; P224-Y227 WeakPolarHBondContact O-CD1 3.36Å; P224-Y227 WeakPolarHBondContact O-CE1 3.42Å; Y227-P311 HydrophobicContact CD1-CB 4.38Å; Y227-P311 HydrophobicContact CD1-CG 3.69Å; Y227-P311 HydrophobicContact CD2-CG 4.19Å; Y227-P311 HydrophobicContact CE1-CG 4.4Å; Y227-P311 HydrophobicContact CG-CG 3.57Å; Y227-W315 HydrophobicContact CD1-CZ3 4.28Å; Y227-W315 AromaticContact CE1-CH2 3.74Å; Y227-W315 HydrophobicContact CE1-CH2 3.74Å; Y227-W315 AromaticContact CE1-CZ3 3.7Å; Y227-W315 HydrophobicContact CE1-CZ3 3.7Å; Y227-V325 HydrophobicContact CE2-CG1 4.23Å
228	G	97.6	Very high	98.5	Very high	72 Å²	72	38 Å²	38	74%	0.742	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	3.7	173.5	0	0	0	0	0	114.7	F226	F226-G228 PolarHBondContact O-N 2.73Å
229	S	98.3	Very high	98.5	Very high	49 Å²	49	42.8 Å²	42.8	34%	0.343	24%	0.238	S	C	.	.	S	Bend	trans	-88.8	153.7	-175.3	-58.5	0	0	0	0	111.8	F226 F234	F226-S229 WeakPolarHBondContact O-CB 3.35Å; F226-S229 PolarHBondContact O-N 3.16Å; S229-F234 WeakPolarHBondContact O-CE1 3.21Å
230	S	98.4	Very high	98.5	Very high	57 Å²	57	46.8 Å²	46.8	40%	0.399	26%	0.264	S	S	.	.			trans	-76.6	156.1	171.1	61.5	0	0	0	0	111.8	E232 A233 F234	S230-E232 VanDerWaalsContact CB-CD 3.41Å; S230-E232 WeakPolarHBondContact CB-OE1 3.46Å; S230-E232 WeakPolarHBondContact CB-OE2 3.44Å; S230-E232 PolarHBondContact O-N 2.83Å; S230-E232 PolarHBondContact OG-OE1 3.22Å; S230-E232 PolarHBondContact OG-OE2 3.41Å; S230-A233 WeakPolarHBondContact O-CB 3.38Å; S230-A233 PolarHBondContact O-N 3.23Å; S230-F234 PolarHBondContact O-N 2.65Å
231	R	98.2	Very high	98.5	Very high	121 Å²	121	52.8 Å²	52.8	46%	0.457	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.7	-170.8	71.5	172.9	68.5	86.6	-1	114.1	A233 F234 R238 D249 G251	R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.7Å; R231-F234 VanDerWaalsContact CA-CD2 3.49Å; R231-F234 HydrophobicContact CB-CD2 3.98Å; R231-F234 HydrophobicContact CB-CE2 3.99Å; R231-F234 WeakPolarHBondContact O-CB 3.24Å; R231-F234 PolarHBondContact O-N 3.49Å; R231-R238 PolarHBondContact O-NH2 2.76Å; R231-D249 WeakPolarHBondContact CD-O 3.47Å; R231-G251 PolarHBondContact NE-O 2.94Å
232	E	97.4	Very high	98.5	Very high	95 Å²	95	53 Å²	53	44%	0.444	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.7	176.9	63.6	-82.9	-172.2	0	0	112.2	S230 K248	S230-E232 VanDerWaalsContact CB-CD 3.41Å; S230-E232 WeakPolarHBondContact CB-OE1 3.46Å; S230-E232 WeakPolarHBondContact CB-OE2 3.44Å; S230-E232 PolarHBondContact O-N 2.83Å; S230-E232 PolarHBondContact OG-OE1 3.22Å; S230-E232 PolarHBondContact OG-OE2 3.41Å; E232-K248 HydrophobicContact CB-CD 4.14Å; E232-K248 PolarHBondContact O-NZ 2.87Å
233	A	98.4	Very high	98.5	Very high	53 Å²	53	56.6 Å²	56.6	44%	0.438	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.4	175.8	0	0	0	0	0	112.9	S230 R231 T235	S230-A233 WeakPolarHBondContact O-CB 3.38Å; S230-A233 PolarHBondContact O-N 3.23Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.7Å; A233-T235 PolarHBondContact O-N 2.69Å
234	F	98.8	Very high	98.5	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.053	30%	0.301	C	S	.	.	S	Bend	trans	-59.1	133.7	172.9	-66.4	-15.8	0	0	0	110.9	F226 S229 S230 R231 Y236 R238 Y254	F226-F234 HydrophobicContact CB-CD1 4.02Å; F226-F234 HydrophobicContact CB-CE1 4Å; F226-F234 HydrophobicContact CD1-CD1 4.01Å; F226-F234 HydrophobicContact CG-CD1 4.3Å; F226-F234 WeakPolarHBondContact O-CE1 3.36Å; S229-F234 WeakPolarHBondContact O-CE1 3.21Å; S230-F234 PolarHBondContact O-N 2.65Å; R231-F234 VanDerWaalsContact CA-CD2 3.49Å; R231-F234 HydrophobicContact CB-CD2 3.98Å; R231-F234 HydrophobicContact CB-CE2 3.99Å; R231-F234 WeakPolarHBondContact O-CB 3.24Å; R231-F234 PolarHBondContact O-N 3.49Å; F234-Y236 HydrophobicContact CB-CD1 4.46Å; F234-Y236 HydrophobicContact CB-CD2 4.01Å; F234-Y236 HydrophobicContact CB-CE1 4.32Å; F234-Y236 HydrophobicContact CB-CE2 3.86Å; F234-Y236 HydrophobicContact CB-CG 4.31Å; F234-Y236 HydrophobicContact CD2-CE1 4.38Å; F234-Y236 AromaticContact CD2-CE2 3.64Å; F234-Y236 HydrophobicContact CD2-CE2 3.64Å; F234-Y236 AromaticContact CD2-CZ 3.52Å; F234-Y236 VanDerWaalsContact CD2-OH 3.28Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.14Å; F234-Y236 HydrophobicContact CG-CE2 4.26Å; F234-Y236 PolarHBondContact O-N 2.88Å; F234-R238 PolarHBondContact O-NH2 3Å; F234-Y254 HydrophobicContact CB-CD2 3.79Å; F234-Y254 HydrophobicContact CB-CG 4.42Å; F234-Y254 HydrophobicContact CD1-CG 4.48Å; F234-Y254 HydrophobicContact CG-CD2 4.2Å; F234-Y254 HydrophobicContact CG-CG 4.39Å
235	T	98.7	Very high	98.5	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	31%	0.312	S	S	.	.			trans	-83	38.8	-177	52.2	0	0	0	0	112.6	F226 A233 Y254 W290	F226-T235 HydrophobicContact CE1-CG2 4.08Å; F226-T235 HydrophobicContact CZ-CG2 3.65Å; A233-T235 PolarHBondContact O-N 2.69Å; T235-Y254 VanDerWaalsContact OG1-CZ 3.25Å; T235-Y254 PolarHBondContact OG1-OH 2.8Å; T235-Y254 VanDerWaalsContact OG1-OH 3.12Å; T235-W290 VanDerWaalsContact CB-NE1 3.27Å; T235-W290 PolarHBondContact OG1-NE1 3.46Å
236	Y	98.9	Very high	98.6	Very high	8 Å²	8	56 Å²	56	3%	0.031	29%	0.294	C	S	.	.			trans	-58.2	159	171.2	-56.8	-44.4	0	0	0	111.3	F234 R238 I246 F253 Y254 N297	F234-Y236 HydrophobicContact CB-CD1 4.46Å; F234-Y236 HydrophobicContact CB-CD2 4.01Å; F234-Y236 HydrophobicContact CB-CE1 4.32Å; F234-Y236 HydrophobicContact CB-CE2 3.86Å; F234-Y236 HydrophobicContact CB-CG 4.31Å; F234-Y236 HydrophobicContact CD2-CE1 4.38Å; F234-Y236 AromaticContact CD2-CE2 3.64Å; F234-Y236 HydrophobicContact CD2-CE2 3.64Å; F234-Y236 AromaticContact CD2-CZ 3.52Å; F234-Y236 VanDerWaalsContact CD2-OH 3.28Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.14Å; F234-Y236 HydrophobicContact CG-CE2 4.26Å; F234-Y236 PolarHBondContact O-N 2.88Å; Y236-R238 WeakPolarHBondContact O-CD 3.44Å; Y236-R238 VanDerWaalsContact O-CG 3.31Å; Y236-R238 WeakPolarHBondContact O-CG 3.43Å; Y236-R238 PolarHBondContact O-N 2.82Å; Y236-R238 PolarHBondContact O-NE 2.9Å; Y236-I246 HydrophobicContact CD1-CD1 3.76Å; Y236-I246 HydrophobicContact CD2-CB 3.8Å; Y236-I246 HydrophobicContact CD2-CD1 3.87Å; Y236-I246 HydrophobicContact CD2-CG1 4.42Å; Y236-I246 HydrophobicContact CD2-CG2 3.6Å; Y236-I246 HydrophobicContact CE1-CD1 4.02Å; Y236-I246 HydrophobicContact CE2-CD1 4.14Å; Y236-I246 HydrophobicContact CE2-CG2 3.91Å; Y236-I246 HydrophobicContact CG-CB 4.05Å; Y236-I246 HydrophobicContact CG-CD1 3.67Å; Y236-I246 HydrophobicContact CG-CG1 4.37Å; Y236-I246 HydrophobicContact CG-CG2 4.34Å; Y236-F253 PolarHBondContact OH-O 3.12Å; Y236-Y254 AromaticContact CD1-CD2 3.49Å; Y236-Y254 HydrophobicContact CD1-CD2 3.49Å; Y236-Y254 VanDerWaalsContact CD1-CD2 3.49Å; Y236-Y254 AromaticContact CD1-CE2 3.61Å; Y236-Y254 HydrophobicContact CD1-CE2 3.61Å; Y236-Y254 AromaticContact CE1-CD2 3.34Å; Y236-Y254 HydrophobicContact CE1-CD2 3.34Å; Y236-Y254 AromaticContact CE1-CE2 3.94Å; Y236-Y254 HydrophobicContact CE1-CE2 3.94Å; Y236-Y254 HydrophobicContact CE1-CG 4.3Å; Y236-Y254 HydrophobicContact CG-CD2 4.45Å; Y236-N297 HydrophobicContact CD1-CB 3.82Å; Y236-N297 HydrophobicContact CE1-CB 3.66Å; Y236-N297 WeakPolarHBondContact CE1-OD1 3.36Å
237	E	98.9	Very high	98.6	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.023	29%	0.293	C	S	.	.			trans	-60.7	124.9	166.6	179.4	54.3	-106.6	0	0	110	R239 A244 Y245 I246 A288 V289	E237-R239 WeakPolarHBondContact OE1-CB 3.35Å; E237-R239 WeakPolarHBondContact OE1-CG 3.37Å; E237-R239 IonicContact OE1-CZ 3.76Å; E237-R239 PolarHBondContact OE1-N 3.49Å; E237-R239 IonicContact OE1-NE 3.84Å; E237-R239 PolarHBondContact OE1-NE 2.87Å; E237-R239 IonicContact OE1-NH2 3.6Å; E237-R239 IonicContact OE2-CZ 2.85Å; E237-R239 IonicContact OE2-NE 3.59Å; E237-R239 PolarHBondContact OE2-NE 2.75Å; E237-R239 IonicContact OE2-NH2 3.81Å; E237-R239 PolarHBondContact OE2-NH2 3.08Å; E237-A244 HydrophobicContact CB-CB 3.83Å; E237-A244 HydrophobicContact CG-CB 4.21Å; E237-Y245 WeakPolarHBondContact O-CA 3.4Å; E237-I246 PolarHBondContact O-N 3.43Å; E237-A288 WeakPolarHBondContact OE2-CA 3.26Å; E237-V289 HydrophobicContact CB-CG1 4.33Å; E237-V289 PolarHBondContact OE2-N 3.45Å
238	R	98.8	Very high	98.6	Very high	55 Å²	55	56.7 Å²	56.7	21%	0.208	30%	0.301	C	S	.	.			trans	-112.7	-3.5	-175.4	-55.8	-49.5	-175.9	161.1	3.1	113.1	R231 F234 Y236 P240 Y245 I246 P247	R231-R238 PolarHBondContact O-NH2 2.76Å; F234-R238 PolarHBondContact O-NH2 3Å; Y236-R238 WeakPolarHBondContact O-CD 3.44Å; Y236-R238 VanDerWaalsContact O-CG 3.31Å; Y236-R238 WeakPolarHBondContact O-CG 3.43Å; Y236-R238 PolarHBondContact O-N 2.82Å; Y236-R238 PolarHBondContact O-NE 2.9Å; R238-P240 WeakPolarHBondContact O-CD 3.48Å; R238-Y245 VanDerWaalsContact C-CD2 3.48Å; R238-Y245 WeakPolarHBondContact O-CD2 3.42Å; R238-Y245 WeakPolarHBondContact O-CE2 3.29Å; R238-I246 VanDerWaalsContact CD-O 3.3Å; R238-I246 WeakPolarHBondContact CD-O 3.33Å; R238-I246 PolarHBondContact NH1-O 2.56Å; R238-P247 VanDerWaalsContact NH1-C 3.27Å; R238-P247 PolarHBondContact NH1-O 2.83Å
239	R	98.8	Very high	98.6	Very high	102 Å²	102	59.4 Å²	59.4	39%	0.385	30%	0.299	S	S	.	.			trans	-81.9	114.8	173.9	-65.2	172	-68	171.4	2.2	109.2	E237 Q241 S242 I286 E287	E237-R239 WeakPolarHBondContact OE1-CB 3.35Å; E237-R239 WeakPolarHBondContact OE1-CG 3.37Å; E237-R239 IonicContact OE1-CZ 3.76Å; E237-R239 PolarHBondContact OE1-N 3.49Å; E237-R239 IonicContact OE1-NE 3.84Å; E237-R239 PolarHBondContact OE1-NE 2.87Å; E237-R239 IonicContact OE1-NH2 3.6Å; E237-R239 IonicContact OE2-CZ 2.85Å; E237-R239 IonicContact OE2-NE 3.59Å; E237-R239 PolarHBondContact OE2-NE 2.75Å; E237-R239 IonicContact OE2-NH2 3.81Å; E237-R239 PolarHBondContact OE2-NH2 3.08Å; R239-Q241 PolarHBondContact O-N 2.9Å; R239-S242 PolarHBondContact O-N 2.83Å; R239-S242 VanDerWaalsContact O-N 3.09Å; R239-I286 HydrophobicContact CB-CD1 4.14Å; R239-E287 PolarHBondContact NH2-O 3.03Å
240	P	98.7	Very high	98.6	Very high	85 Å²	85	59.8 Å²	59.8	55%	0.552	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.4	-177.8	-23.9	35.1	0	0	0	114.8	R238 S242 Y245	R238-P240 WeakPolarHBondContact O-CD 3.48Å; P240-S242 VanDerWaalsContact C-N 3.28Å; P240-S242 PolarHBondContact O-N 2.83Å; P240-Y245 HydrophobicContact CB-CD1 4.29Å; P240-Y245 HydrophobicContact CB-CE1 4.31Å; P240-Y245 HydrophobicContact CB-CG 4.39Å; P240-Y245 HydrophobicContact CG-CD2 4.33Å; P240-Y245 HydrophobicContact CG-CE1 4.37Å; P240-Y245 HydrophobicContact CG-CE2 4Å
241	Q	98.8	Very high	98.6	Very high	127 Å²	127	57.4 Å²	57.4	59%	0.593	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.2	177.5	-59.1	79.5	7.9	0	0	112.8	R239 I286	R239-Q241 PolarHBondContact O-N 2.9Å; Q241-I286 HydrophobicContact CB-CD1 4.09Å
242	S	98.9	Very high	98.7	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.028	27%	0.273	C	S	.	.	S	Bend	trans	-87	142.1	178.7	167.8	0	0	0	0	111.5	R239 P240 A244 Y245 D281	R239-S242 PolarHBondContact O-N 2.83Å; R239-S242 VanDerWaalsContact O-N 3.09Å; P240-S242 VanDerWaalsContact C-N 3.28Å; P240-S242 PolarHBondContact O-N 2.83Å; S242-A244 PolarHBondContact O-N 2.8Å; S242-A244 WeakPolarHBondContact OG-CB 3.34Å; S242-A244 PolarHBondContact OG-N 2.95Å; S242-Y245 VanDerWaalsContact O-CB 3.23Å; S242-Y245 WeakPolarHBondContact O-CB 3.43Å; S242-Y245 PolarHBondContact O-N 2.76Å; S242-D281 WeakPolarHBondContact CA-OD1 3.31Å; S242-D281 WeakPolarHBondContact CB-OD2 3.38Å; S242-D281 PolarHBondContact OG-OD2 2.8Å
243	Q	98.9	Very high	98.7	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.3	170.3	-64.6	-54.1	-62.4	0	0	112.5	Y245 A277 V280 D281 K298	Q243-Y245 VanDerWaalsContact C-N 3.25Å; Q243-Y245 PolarHBondContact O-N 2.88Å; Q243-A277 HydrophobicContact CB-CB 3.82Å; Q243-A277 HydrophobicContact CG-CB 4.35Å; Q243-V280 HydrophobicContact CG-CB 3.79Å; Q243-V280 HydrophobicContact CG-CG1 3.6Å; Q243-D281 WeakPolarHBondContact CG-OD1 3.33Å; Q243-D281 PolarHBondContact N-OD1 3.37Å; Q243-K298 PolarHBondContact O-NZ 3.21Å
244	A	98.9	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.3	177.3	0	0	0	0	0	114	E237 S242 I246 A288	E237-A244 HydrophobicContact CB-CB 3.83Å; E237-A244 HydrophobicContact CG-CB 4.21Å; S242-A244 PolarHBondContact O-N 2.8Å; S242-A244 WeakPolarHBondContact OG-CB 3.34Å; S242-A244 PolarHBondContact OG-N 2.95Å; A244-I246 PolarHBondContact O-N 3.17Å; A244-A288 HydrophobicContact CB-CB 3.94Å
245	Y	98.9	Very high	98.8	Very high	74 Å²	74	48.6 Å²	48.6	29%	0.29	24%	0.236	S	C	.	.			trans	-54.2	131.6	-177.2	174.7	-117.4	0	0	0	113.3	E237 R238 P240 S242 Q243 P247 K298	E237-Y245 WeakPolarHBondContact O-CA 3.4Å; R238-Y245 VanDerWaalsContact C-CD2 3.48Å; R238-Y245 WeakPolarHBondContact O-CD2 3.42Å; R238-Y245 WeakPolarHBondContact O-CE2 3.29Å; P240-Y245 HydrophobicContact CB-CD1 4.29Å; P240-Y245 HydrophobicContact CB-CE1 4.31Å; P240-Y245 HydrophobicContact CB-CG 4.39Å; P240-Y245 HydrophobicContact CG-CD2 4.33Å; P240-Y245 HydrophobicContact CG-CE1 4.37Å; P240-Y245 HydrophobicContact CG-CE2 4Å; S242-Y245 VanDerWaalsContact O-CB 3.23Å; S242-Y245 WeakPolarHBondContact O-CB 3.43Å; S242-Y245 PolarHBondContact O-N 2.76Å; Q243-Y245 VanDerWaalsContact C-N 3.25Å; Q243-Y245 PolarHBondContact O-N 2.88Å; Y245-P247 HydrophobicContact CE1-CG 3.73Å; Y245-K298 PolarHBondContact O-NZ 3.18Å
246	I	98.9	Very high	98.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.226	C	C	.	.			trans	-129.9	123.4	169.9	-59.9	173.4	0	0	0	108.9	Y236 E237 R238 A244 E250 N297 K298 L301	Y236-I246 HydrophobicContact CD1-CD1 3.76Å; Y236-I246 HydrophobicContact CD2-CB 3.8Å; Y236-I246 HydrophobicContact CD2-CD1 3.87Å; Y236-I246 HydrophobicContact CD2-CG1 4.42Å; Y236-I246 HydrophobicContact CD2-CG2 3.6Å; Y236-I246 HydrophobicContact CE1-CD1 4.02Å; Y236-I246 HydrophobicContact CE2-CD1 4.14Å; Y236-I246 HydrophobicContact CE2-CG2 3.91Å; Y236-I246 HydrophobicContact CG-CB 4.05Å; Y236-I246 HydrophobicContact CG-CD1 3.67Å; Y236-I246 HydrophobicContact CG-CG1 4.37Å; Y236-I246 HydrophobicContact CG-CG2 4.34Å; E237-I246 PolarHBondContact O-N 3.43Å; R238-I246 VanDerWaalsContact CD-O 3.3Å; R238-I246 WeakPolarHBondContact CD-O 3.33Å; R238-I246 PolarHBondContact NH1-O 2.56Å; A244-I246 PolarHBondContact O-N 3.17Å; I246-E250 HydrophobicContact CG2-CB 3.82Å; I246-N297 HydrophobicContact CD1-CB 4.26Å; I246-K298 HydrophobicContact CD1-CB 4.46Å; I246-K298 HydrophobicContact CG1-CD 4.25Å; I246-L301 HydrophobicContact CB-CD2 4.44Å; I246-L301 HydrophobicContact CD1-CD2 3.96Å; I246-L301 HydrophobicContact CG1-CD2 3.91Å; I246-L301 HydrophobicContact CG2-CD2 3.73Å
247	P	98.6	Very high	98.5	Very high	23 Å²	23	46.8 Å²	46.8	15%	0.149	23%	0.226	C	C	.	.			trans	-57.9	158.5	172.9	-27	35.8	0	0	0	114.2	R238 Y245 D249 E250	R238-P247 VanDerWaalsContact NH1-C 3.27Å; R238-P247 PolarHBondContact NH1-O 2.83Å; Y245-P247 HydrophobicContact CE1-CG 3.73Å; P247-D249 VanDerWaalsContact C-N 3.26Å; P247-D249 WeakPolarHBondContact CB-OD1 3.5Å; P247-D249 PolarHBondContact O-N 2.96Å; P247-E250 HydrophobicContact CB-CB 4.36Å; P247-E250 HydrophobicContact CB-CG 4.19Å; P247-E250 HydrophobicContact CG-CG 4.2Å; P247-E250 PolarHBondContact O-N 2.92Å
248	K	98.4	Very high	98.3	Very high	119 Å²	119	46.6 Å²	46.6	52%	0.517	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.5	-176.6	-80.1	-78.2	-178.4	170.2	0	113.6	E232	E232-K248 HydrophobicContact CB-CD 4.14Å; E232-K248 PolarHBondContact O-NZ 2.87Å
249	D	98.4	Very high	98.3	Very high	129 Å²	129	44 Å²	44	69%	0.69	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.5	178.4	58.6	-26.3	0	0	0	113.5	R231 P247	R231-D249 WeakPolarHBondContact CD-O 3.47Å; P247-D249 VanDerWaalsContact C-N 3.26Å; P247-D249 WeakPolarHBondContact CB-OD1 3.5Å; P247-D249 PolarHBondContact O-N 2.96Å
250	E	98.8	Very high	98.4	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	20%	0.198	S	C	.	.			trans	-99.6	157.6	173.4	-68.5	-170.3	-152.9	0	0	112.4	I246 P247 L301 R302	I246-E250 HydrophobicContact CG2-CB 3.82Å; P247-E250 HydrophobicContact CB-CB 4.36Å; P247-E250 HydrophobicContact CB-CG 4.19Å; P247-E250 HydrophobicContact CG-CG 4.2Å; P247-E250 PolarHBondContact O-N 2.92Å; E250-L301 HydrophobicContact CB-CD2 4.3Å; E250-R302 IonicContact OE1-NH2 2.76Å; E250-R302 PolarHBondContact OE1-NH2 3.13Å; E250-R302 IonicContact OE2-CZ 3.58Å; E250-R302 VanDerWaalsContact OE2-CZ 3.26Å; E250-R302 IonicContact OE2-NH1 3.85Å; E250-R302 PolarHBondContact OE2-NH1 3.01Å; E250-R302 IonicContact OE2-NH2 3.24Å; E250-R302 PolarHBondContact OE2-NH2 2.9Å
251	G	98.4	Very high	98.4	Very high	8 Å²	8	35.2 Å²	35.2	8%	0.082	17%	0.171	C	C	.	.			trans	120.7	127.7	178.3	0	0	0	0	0	113	R231	R231-G251 PolarHBondContact NE-O 2.94Å
252	D	98.7	Very high	98.4	Very high	57 Å²	57	29.1 Å²	29.1	31%	0.305	14%	0.143	S	C	.	.	S	Bend	trans	-90.1	-53	173.2	-44.9	-80.3	0	0	0	110.8	W80 K304	W80-D252 HydrophobicContact CH2-CB 3.72Å; W80-D252 HydrophobicContact CZ3-CB 3.7Å; W80-D252 VanDerWaalsContact CZ3-CG 3.48Å; W80-D252 WeakPolarHBondContact CZ3-OD1 3.3Å; D252-K304 IonicContact OD1-NZ 2.62Å; D252-K304 PolarHBondContact OD1-NZ 3.02Å; D252-K304 IonicContact OD2-NZ 3.83Å; D252-K304 PolarHBondContact OD2-NZ 2.73Å
253	F	98.8	Very high	98.4	Very high	32 Å²	32	30.2 Å²	30.2	14%	0.14	15%	0.15	C	C	.	.			trans	-147.1	154.4	-177.8	-57.2	-77.4	0	0	0	110.7	L75 T78 W80 I84 L222 Y236 Y255	L75-F253 HydrophobicContact CD2-CZ 4.2Å; T78-F253 HydrophobicContact CG2-CE2 3.89Å; T78-F253 HydrophobicContact CG2-CZ 4.31Å; W80-F253 AromaticContact CH2-CD2 3.9Å; W80-F253 HydrophobicContact CH2-CD2 3.9Å; W80-F253 AromaticContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CZ2-CE2 4.37Å; W80-F253 HydrophobicContact CZ3-CE2 4.29Å; I84-F253 HydrophobicContact CD1-CE1 4.4Å; I84-F253 HydrophobicContact CD1-CZ 3.88Å; L222-F253 HydrophobicContact CD2-CB 3.46Å; L222-F253 VanDerWaalsContact CD2-CB 3.46Å; L222-F253 HydrophobicContact CD2-CD1 3.45Å; L222-F253 VanDerWaalsContact CD2-CD1 3.45Å; L222-F253 HydrophobicContact CD2-CD2 4.31Å; L222-F253 HydrophobicContact CD2-CE1 4.25Å; L222-F253 HydrophobicContact CD2-CG 3.48Å; L222-F253 VanDerWaalsContact CD2-CG 3.48Å; Y236-F253 PolarHBondContact OH-O 3.12Å; F253-Y255 HydrophobicContact CB-CD1 4.43Å; F253-Y255 HydrophobicContact CB-CE1 3.97Å; F253-Y255 HydrophobicContact CB-CE2 4.21Å; F253-Y255 HydrophobicContact CD2-CE1 4.25Å; F253-Y255 AromaticContact CD2-CZ 3.94Å; F253-Y255 WeakPolarHBondContact CD2-OH 3.43Å; F253-Y255 HydrophobicContact CG-CE1 4.48Å; F253-Y255 WeakPolarHBondContact O-CD2 3.26Å
254	Y	98.9	Very high	98.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.133	C	C	.	.			trans	-89.5	107.8	167.1	-163.1	-95.5	0	0	0	109.8	H223 F226 F234 T235 Y236 W290 E293	H223-Y254 HydrophobicContact CB-CD1 3.59Å; H223-Y254 HydrophobicContact CB-CE1 4.26Å; H223-Y254 WeakPolarHBondContact CB-O 3.37Å; H223-Y254 AromaticContact CD2-CE1 3.82Å; H223-Y254 AromaticContact CG-CD1 3.83Å; H223-Y254 PolarHBondContact N-O 2.89Å; F226-Y254 HydrophobicContact CB-CD1 4.24Å; F226-Y254 HydrophobicContact CB-CG 4.26Å; F226-Y254 AromaticContact CD2-CD1 3.4Å; F226-Y254 HydrophobicContact CD2-CD1 3.4Å; F226-Y254 AromaticContact CD2-CE1 3.79Å; F226-Y254 HydrophobicContact CD2-CE1 3.79Å; F226-Y254 HydrophobicContact CD2-CG 4.01Å; F226-Y254 AromaticContact CE2-CD1 3.97Å; F226-Y254 HydrophobicContact CE2-CD1 3.97Å; F226-Y254 AromaticContact CE2-CE1 3.89Å; F226-Y254 HydrophobicContact CE2-CE1 3.89Å; F226-Y254 AromaticContact CG-CD1 4Å; F226-Y254 HydrophobicContact CG-CD1 4Å; F226-Y254 HydrophobicContact CG-CG 4.17Å; F234-Y254 HydrophobicContact CB-CD2 3.79Å; F234-Y254 HydrophobicContact CB-CG 4.42Å; F234-Y254 HydrophobicContact CD1-CG 4.48Å; F234-Y254 HydrophobicContact CG-CD2 4.2Å; F234-Y254 HydrophobicContact CG-CG 4.39Å; T235-Y254 VanDerWaalsContact OG1-CZ 3.25Å; T235-Y254 PolarHBondContact OG1-OH 2.8Å; T235-Y254 VanDerWaalsContact OG1-OH 3.12Å; Y236-Y254 AromaticContact CD1-CD2 3.49Å; Y236-Y254 HydrophobicContact CD1-CD2 3.49Å; Y236-Y254 VanDerWaalsContact CD1-CD2 3.49Å; Y236-Y254 AromaticContact CD1-CE2 3.61Å; Y236-Y254 HydrophobicContact CD1-CE2 3.61Å; Y236-Y254 AromaticContact CE1-CD2 3.34Å; Y236-Y254 HydrophobicContact CE1-CD2 3.34Å; Y236-Y254 AromaticContact CE1-CE2 3.94Å; Y236-Y254 HydrophobicContact CE1-CE2 3.94Å; Y236-Y254 HydrophobicContact CE1-CG 4.3Å; Y236-Y254 HydrophobicContact CG-CD2 4.45Å; Y254-W290 VanDerWaalsContact OH-CD1 3.3Å; Y254-E293 HydrophobicContact CE1-CG 4.49Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.37Å; Y254-E293 VanDerWaalsContact CZ-OE1 3.24Å; Y254-E293 PolarHBondContact OH-OE1 2.92Å
255	Y	98.9	Very high	98.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	149.7	-179.6	-56.2	-75.6	0	0	0	111.6	T221 F253 E293 N297 L300 P305 V308	T221-Y255 CarbonylContact O-C 3.6Å; T221-Y255 VanDerWaalsContact O-CA 3.23Å; T221-Y255 WeakPolarHBondContact O-CA 3.2Å; F253-Y255 HydrophobicContact CB-CD1 4.43Å; F253-Y255 HydrophobicContact CB-CE1 3.97Å; F253-Y255 HydrophobicContact CB-CE2 4.21Å; F253-Y255 HydrophobicContact CD2-CE1 4.25Å; F253-Y255 AromaticContact CD2-CZ 3.94Å; F253-Y255 WeakPolarHBondContact CD2-OH 3.43Å; F253-Y255 HydrophobicContact CG-CE1 4.48Å; F253-Y255 WeakPolarHBondContact O-CD2 3.26Å; Y255-E293 WeakPolarHBondContact O-CG 3.44Å; Y255-N297 PolarHBondContact N-OD1 3.11Å; Y255-N297 PolarHBondContact O-ND2 2.89Å; Y255-L300 HydrophobicContact CD1-CD1 4.05Å; Y255-L300 HydrophobicContact CD2-CB 3.76Å; Y255-L300 HydrophobicContact CD2-CD1 3.61Å; Y255-L300 HydrophobicContact CD2-CG 4.35Å; Y255-L300 HydrophobicContact CE1-CD1 4.5Å; Y255-L300 HydrophobicContact CE2-CB 3.67Å; Y255-L300 HydrophobicContact CE2-CD1 4.1Å; Y255-L300 HydrophobicContact CG-CD1 3.55Å; Y255-P305 HydrophobicContact CE1-CG 4.24Å; Y255-V308 HydrophobicContact CE1-CG1 4.01Å; Y255-V308 HydrophobicContact CE1-CG2 4.05Å
256	L	95.1	Very high	98.4	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.063	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.3	-175.8	-156.5	151.8	0	0	0	112.8	T221 H223 P224 G258 E293 L296 L314	T221-L256 PolarHBondContact O-N 3.03Å; H223-L256 HydrophobicContact CB-CB 4.18Å; H223-L256 HydrophobicContact CB-CD1 4.22Å; H223-L256 HydrophobicContact CB-CG 4.5Å; P224-L256 HydrophobicContact CG-CD1 4.3Å; L256-G258 VanDerWaalsContact CD2-CA 3.45Å; L256-G258 PolarHBondContact O-N 3.18Å; L256-E293 WeakPolarHBondContact CA-OE2 3.46Å; L256-L296 VanDerWaalsContact O-CD2 3.24Å; L256-L296 WeakPolarHBondContact O-CD2 3.41Å; L256-L314 HydrophobicContact CD1-CB 4.49Å; L256-L314 HydrophobicContact CD1-CD1 3.71Å; L256-L314 HydrophobicContact CD1-CD2 3.37Å; L256-L314 HydrophobicContact CD1-CG 4.02Å; L256-L314 HydrophobicContact CD2-CD1 3.36Å; L256-L314 HydrophobicContact CD2-CD2 4.37Å; L256-L314 HydrophobicContact CD2-CG 4.46Å; L256-L314 HydrophobicContact CG-CD1 4.06Å
257	G	96.5	Very high	98.4	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-14.3	180	0	0	0	0	0	115.7	R178 E293	R178-G257 PolarHBondContact NH2-O 3.02Å; R178-G257 VanDerWaalsContact NH2-O 3.16Å; G257-E293 PolarHBondContact N-OE2 3.29Å
258	G	96.3	Very high	98.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	5.9	-172.5	0	0	0	0	0	114.8	V200 D201 L256	V200-G258 CarbonylContact C-O 3.56Å; V200-G258 WeakPolarHBondContact CA-O 3.42Å; D201-G258 PolarHBondContact N-O 3.11Å; D201-G258 WeakPolarHBondContact OD1-CA 3.47Å; D201-G258 WeakPolarHBondContact OD2-CA 3.5Å; L256-G258 VanDerWaalsContact CD2-CA 3.45Å; L256-G258 PolarHBondContact O-N 3.18Å
259	F	98.8	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	101.4	167	-159.4	-26.5	0	0	0	111.3	V198 C199 V200 V210 I214 F219 T221 L309 Y313 L314 F331	V198-F259 HydrophobicContact CG1-CD1 4.14Å; V198-F259 HydrophobicContact CG1-CE1 3.49Å; V198-F259 VanDerWaalsContact CG1-CE1 3.49Å; V198-F259 HydrophobicContact CG1-CZ 4.12Å; C199-F259 WeakPolarHBondContact O-CA 3.43Å; V200-F259 HydrophobicContact CG1-CB 4.25Å; V200-F259 HydrophobicContact CG1-CD1 3.75Å; V200-F259 HydrophobicContact CG1-CD2 3.99Å; V200-F259 HydrophobicContact CG1-CE1 4.09Å; V200-F259 HydrophobicContact CG1-CE2 4.29Å; V200-F259 HydrophobicContact CG1-CG 3.73Å; V200-F259 HydrophobicContact CG1-CZ 4.35Å; V210-F259 HydrophobicContact CG1-CZ 4.08Å; I214-F259 HydrophobicContact CD1-CE1 4.08Å; I214-F259 HydrophobicContact CD1-CZ 3.99Å; F219-F259 AromaticContact CE2-CD1 3.67Å; F219-F259 HydrophobicContact CE2-CD1 3.67Å; F219-F259 AromaticContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CZ-CD1 4.22Å; F219-F259 AromaticContact CZ-CE1 3.85Å; F219-F259 HydrophobicContact CZ-CE1 3.85Å; T221-F259 VanDerWaalsContact CB-O 3.27Å; T221-F259 WeakPolarHBondContact CB-O 3.29Å; T221-F259 HydrophobicContact CG2-CB 4.48Å; T221-F259 PolarHBondContact N-O 2.85Å; T221-F259 PolarHBondContact OG1-O 3.23Å; F259-L309 HydrophobicContact CD1-CD1 4.28Å; F259-L309 HydrophobicContact CE1-CD1 3.88Å; F259-L309 HydrophobicContact CZ-CD1 4.08Å; F259-Y313 WeakPolarHBondContact CD2-O 3.47Å; F259-Y313 VanDerWaalsContact CE2-O 3.26Å; F259-Y313 WeakPolarHBondContact CE2-O 3.45Å; F259-L314 HydrophobicContact CB-CD1 3.84Å; F259-F331 AromaticContact CD2-CD1 3.77Å; F259-F331 HydrophobicContact CD2-CD1 3.77Å; F259-F331 HydrophobicContact CD2-CE1 4.11Å; F259-F331 HydrophobicContact CE2-CD1 4.09Å
260	F	98.9	Very high	98.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	172.8	171.5	64.2	-87.7	0	0	0	110.1	M179 I182 C199 F219 L270 T271 L296	M179-F260 HydrophobicContact CE-CE1 4.07Å; M179-F260 HydrophobicContact CE-CZ 4.02Å; M179-F260 HydrophobicContact SD-CZ 4.13Å; I182-F260 HydrophobicContact CD1-CZ 4.23Å; C199-F260 HydrophobicContact CB-CD1 4.22Å; C199-F260 HydrophobicContact CB-CD2 4Å; C199-F260 HydrophobicContact CB-CE1 3.8Å; C199-F260 HydrophobicContact CB-CE2 3.55Å; C199-F260 HydrophobicContact CB-CG 4.32Å; C199-F260 HydrophobicContact CB-CZ 3.45Å; C199-F260 VanDerWaalsContact CB-CZ 3.45Å; C199-F260 PolarHBondContact N-O 3.03Å; C199-F260 PolarHBondContact O-N 3.38Å; C199-F260 VanDerWaalsContact O-N 3.09Å; F219-F260 VanDerWaalsContact CZ-C 3.48Å; F260-L270 HydrophobicContact CD2-CD1 4.45Å; F260-L270 HydrophobicContact CD2-CD2 4.15Å; F260-L270 HydrophobicContact CE2-CD2 3.94Å; F260-T271 HydrophobicContact CE2-CG2 4.01Å; F260-T271 HydrophobicContact CZ-CG2 4.35Å; F260-L296 HydrophobicContact CB-CD1 4.45Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CG-CD1 4.42Å
261	G	98.9	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-168.6	176.9	0	0	0	0	0	113.1	L197 F219	L197-G261 CarbonylContact O-C 3.58Å; L197-G261 WeakPolarHBondContact O-CA 3.19Å; F219-G261 VanDerWaalsContact CD1-C 3.4Å; F219-G261 WeakPolarHBondContact CD1-O 3.25Å; F219-G261 VanDerWaalsContact CZ-CA 3.41Å; F219-G261 VanDerWaalsContact CZ-N 3.32Å; F219-G261 PolarHBondContact N-O 3.35Å; F219-G261 PolarHBondContact O-N 3.4Å
262	G	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-167	-172.8	0	0	0	0	0	112.8	Y196 L197 T216 P217 V267	Y196-G262 CarbonylContact C-O 3.1Å; Y196-G262 VanDerWaalsContact CA-O 3.25Å; Y196-G262 WeakPolarHBondContact CA-O 3.46Å; Y196-G262 WeakPolarHBondContact CB-O 3.22Å; L197-G262 PolarHBondContact N-O 2.8Å; L197-G262 PolarHBondContact O-N 2.85Å; T216-G262 CarbonylContact O-C 3.55Å; T216-G262 VanDerWaalsContact O-CA 3.31Å; T216-G262 WeakPolarHBondContact O-CA 3.37Å; P217-G262 CarbonylContact O-C 3.45Å; P217-G262 WeakPolarHBondContact O-CA 3.23Å; G262-V267 VanDerWaalsContact N-CG2 3.34Å
263	S	98.9	Very high	98.4	Very high	26 Å²	26	23.2 Å²	23.2	18%	0.182	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	154.3	163	71.1	0	0	0	0	109.3	T216 P217 Q265 E266 V267	T216-S263 PolarHBondContact O-N 3.29Å; P217-S263 PolarHBondContact O-N 2.85Å; S263-Q265 PolarHBondContact O-N 2.87Å; S263-Q265 VanDerWaalsContact O-N 3.15Å; S263-E266 PolarHBondContact O-N 3.08Å; S263-E266 VanDerWaalsContact O-N 3.11Å; S263-E266 PolarHBondContact OG-N 3.3Å; S263-V267 PolarHBondContact O-N 3.17Å
264	V	98.8	Very high	98.4	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-53.9	-39.2	179.5	-179.9	0	0	0	0	111.8	C186 F190 L191 V194 D195 L197 Q268	C186-V264 HydrophobicContact CB-CG1 4.19Å; F190-V264 HydrophobicContact CB-CG1 3.88Å; F190-V264 HydrophobicContact CB-CG2 4.26Å; L191-V264 HydrophobicContact CB-CG1 4.42Å; L191-V264 HydrophobicContact CD2-CB 4.07Å; L191-V264 HydrophobicContact CD2-CG1 3.6Å; L191-V264 HydrophobicContact CG-CG1 3.71Å; V194-V264 HydrophobicContact CG2-CG2 3.77Å; V194-V264 VanDerWaalsContact O-CG2 3.25Å; V194-V264 WeakPolarHBondContact O-CG2 3.27Å; D195-V264 PolarHBondContact O-N 3.16Å; L197-V264 HydrophobicContact CD1-CB 4.38Å; L197-V264 HydrophobicContact CD1-CG1 4.11Å; L197-V264 HydrophobicContact CD1-CG2 4.13Å; L197-V264 HydrophobicContact CG-CG2 4.13Å; V264-Q268 WeakPolarHBondContact O-CB 3.42Å; V264-Q268 PolarHBondContact O-N 2.99Å
265	Q	98.6	Very high	98.4	Very high	100 Å²	100	23.1 Å²	23.1	47%	0.467	11%	0.11	S	C	.	.	H	α-helix	trans	-63.2	-45.5	179	-176.6	177.9	53.7	0	0	112.7	S263 Q268 R269	S263-Q265 PolarHBondContact O-N 2.87Å; S263-Q265 VanDerWaalsContact O-N 3.15Å; Q265-Q268 PolarHBondContact O-N 3.03Å; Q265-R269 WeakPolarHBondContact O-CG 3.2Å; Q265-R269 PolarHBondContact O-N 3.04Å
266	E	98.9	Very high	98.4	Very high	35 Å²	35	28.6 Å²	28.6	16%	0.164	14%	0.136	C	C	.	.	H	α-helix	trans	-71.3	-37.6	-179.7	-72.1	-59.2	108.7	0	0	111.8	P217 L218 S263 Q268 R269 L270	P217-E266 HydrophobicContact CB-CG 4.14Å; P217-E266 WeakPolarHBondContact O-CB 3.34Å; P217-E266 VanDerWaalsContact O-CG 3.26Å; P217-E266 WeakPolarHBondContact O-CG 3.37Å; L218-E266 HydrophobicContact CB-CB 4.28Å; L218-E266 HydrophobicContact CB-CG 4.45Å; S263-E266 PolarHBondContact O-N 3.08Å; S263-E266 VanDerWaalsContact O-N 3.11Å; S263-E266 PolarHBondContact OG-N 3.3Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; E266-R269 PolarHBondContact O-N 3.04Å; E266-R269 WeakPolarHBondContact OE1-CD 3.21Å; E266-R269 IonicContact OE1-CZ 3.38Å; E266-R269 IonicContact OE1-NE 3.58Å; E266-R269 IonicContact OE1-NH1 2.67Å; E266-R269 PolarHBondContact OE1-NH1 2.61Å; E266-L270 WeakPolarHBondContact O-CB 3.37Å; E266-L270 PolarHBondContact O-N 3.04Å
267	V	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-40.7	174	173.6	0	0	0	0	110.8	I182 L197 G262 S263 L270 T271	I182-V267 HydrophobicContact CG2-CG1 3.8Å; L197-V267 HydrophobicContact CB-CB 4.32Å; L197-V267 HydrophobicContact CB-CG1 4.21Å; L197-V267 HydrophobicContact CB-CG2 4.03Å; L197-V267 HydrophobicContact CD1-CB 4.23Å; L197-V267 HydrophobicContact CD1-CG1 3.97Å; G262-V267 VanDerWaalsContact N-CG2 3.34Å; S263-V267 PolarHBondContact O-N 3.17Å; V267-L270 PolarHBondContact O-N 3.15Å; V267-T271 HydrophobicContact CG1-CG2 4.05Å; V267-T271 WeakPolarHBondContact O-CB 3.26Å; V267-T271 VanDerWaalsContact O-CG2 3.24Å; V267-T271 WeakPolarHBondContact O-CG2 3.05Å; V267-T271 PolarHBondContact O-N 3.07Å; V267-T271 PolarHBondContact O-OG1 3.18Å
268	Q	98.8	Very high	98.7	Very high	25 Å²	25	29.3 Å²	29.3	12%	0.117	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-46.9	173.5	-173.8	-171	29.6	0	0	111.7	C186 E187 V264 Q265 E266 T271 R272	C186-Q268 HydrophobicContact CB-CB 3.8Å; C186-Q268 HydrophobicContact CB-CG 3.83Å; E187-Q268 PolarHBondContact OE1-NE2 3.21Å; E187-Q268 VanDerWaalsContact OE1-NE2 3.15Å; V264-Q268 WeakPolarHBondContact O-CB 3.42Å; V264-Q268 PolarHBondContact O-N 2.99Å; Q265-Q268 PolarHBondContact O-N 3.03Å; E266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-T271 PolarHBondContact O-OG1 3.18Å; Q268-R272 WeakPolarHBondContact O-CB 3.42Å; Q268-R272 PolarHBondContact O-N 2.89Å
269	R	98.9	Very high	98.8	Very high	124 Å²	124	32 Å²	32	47%	0.468	15%	0.154	S	C	.	.	H	α-helix	trans	-59.3	-49.5	177.8	-73.4	169.1	178.6	174.1	-0.1	111.5	Q265 E266 A273	Q265-R269 WeakPolarHBondContact O-CG 3.2Å; Q265-R269 PolarHBondContact O-N 3.04Å; E266-R269 PolarHBondContact O-N 3.04Å; E266-R269 WeakPolarHBondContact OE1-CD 3.21Å; E266-R269 IonicContact OE1-CZ 3.38Å; E266-R269 IonicContact OE1-NE 3.58Å; E266-R269 IonicContact OE1-NH1 2.67Å; E266-R269 PolarHBondContact OE1-NH1 2.61Å; R269-A273 VanDerWaalsContact O-CB 3.25Å; R269-A273 WeakPolarHBondContact O-CB 2.82Å; R269-A273 PolarHBondContact O-N 3.15Å
270	L	98.9	Very high	98.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-55.4	178.8	179.8	156.4	0	0	0	111.5	M179 L218 F260 E266 V267 R272 A273 C274 L296 Y299 L300	M179-L270 HydrophobicContact CE-CD2 4.47Å; M179-L270 HydrophobicContact SD-CD2 4.13Å; L218-L270 HydrophobicContact CD1-CD1 3.72Å; F260-L270 HydrophobicContact CD2-CD1 4.45Å; F260-L270 HydrophobicContact CD2-CD2 4.15Å; F260-L270 HydrophobicContact CE2-CD2 3.94Å; E266-L270 WeakPolarHBondContact O-CB 3.37Å; E266-L270 PolarHBondContact O-N 3.04Å; V267-L270 PolarHBondContact O-N 3.15Å; L270-R272 PolarHBondContact O-N 2.78Å; L270-A273 PolarHBondContact O-N 3.11Å; L270-C274 WeakPolarHBondContact O-CB 3.49Å; L270-C274 PolarHBondContact O-N 3.25Å; L270-C274 PolarHBondContact O-SG 3.25Å; L270-C274 VanDerWaalsContact O-SG 3.37Å; L270-L296 HydrophobicContact CD1-CD1 3.74Å; L270-L296 HydrophobicContact CD2-CD1 4.05Å; L270-L296 HydrophobicContact CG-CD1 4.28Å; L270-Y299 VanDerWaalsContact CA-CZ 3.47Å; L270-Y299 HydrophobicContact CB-CD1 3.96Å; L270-Y299 HydrophobicContact CB-CE1 3.59Å; L270-Y299 HydrophobicContact CB-CE2 4.43Å; L270-Y299 HydrophobicContact CD1-CD1 3.72Å; L270-Y299 HydrophobicContact CD1-CE1 3.9Å; L270-Y299 HydrophobicContact CG-CD1 3.63Å; L270-Y299 HydrophobicContact CG-CE1 3.8Å; L270-Y299 HydrophobicContact CG-CG 4.12Å; L270-Y299 PolarHBondContact N-OH 2.89Å; L270-L300 HydrophobicContact CD1-CD2 4.2Å
271	T	98.9	Very high	98.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-39.2	-172.9	53.7	0	0	0	0	111.4	M179 I182 S183 F260 V267 Q268 H275	M179-T271 WeakPolarHBondContact O-CB 3.46Å; M179-T271 HydrophobicContact SD-CG2 3.81Å; I182-T271 HydrophobicContact CB-CG2 4.04Å; I182-T271 HydrophobicContact CG2-CG2 3.78Å; S183-T271 WeakPolarHBondContact CB-OG1 3.21Å; F260-T271 HydrophobicContact CE2-CG2 4.01Å; F260-T271 HydrophobicContact CZ-CG2 4.35Å; V267-T271 HydrophobicContact CG1-CG2 4.05Å; V267-T271 WeakPolarHBondContact O-CB 3.26Å; V267-T271 VanDerWaalsContact O-CG2 3.24Å; V267-T271 WeakPolarHBondContact O-CG2 3.05Å; V267-T271 PolarHBondContact O-N 3.07Å; V267-T271 PolarHBondContact O-OG1 3.18Å; Q268-T271 PolarHBondContact O-OG1 3.18Å; T271-H275 VanDerWaalsContact O-CB 3.31Å; T271-H275 WeakPolarHBondContact O-CB 3.39Å; T271-H275 PolarHBondContact O-N 3.22Å
272	R	98.8	Very high	98.8	Very high	81 Å²	81	40.5 Å²	40.5	31%	0.306	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-47.2	172.5	-178.9	174.2	-63.8	157.5	2.5	112.5	E187 Q268 L270 H275 Q276	E187-R272 IonicContact OE1-CZ 3.76Å; E187-R272 IonicContact OE1-NH1 3.95Å; E187-R272 IonicContact OE1-NH2 3.37Å; E187-R272 PolarHBondContact OE1-NH2 3.12Å; Q268-R272 WeakPolarHBondContact O-CB 3.42Å; Q268-R272 PolarHBondContact O-N 2.89Å; L270-R272 PolarHBondContact O-N 2.78Å; R272-H275 PolarHBondContact O-N 3.24Å; R272-Q276 HydrophobicContact CG-CG 4.46Å; R272-Q276 WeakPolarHBondContact O-CB 3.39Å; R272-Q276 WeakPolarHBondContact O-CG 3.36Å; R272-Q276 PolarHBondContact O-N 3.3Å
273	A	98.9	Very high	98.8	Very high	34 Å²	34	44.6 Å²	44.6	28%	0.281	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-44.4	-179.8	0	0	0	0	0	111.6	R269 L270 Q276 A277 Y299	R269-A273 VanDerWaalsContact O-CB 3.25Å; R269-A273 WeakPolarHBondContact O-CB 2.82Å; R269-A273 PolarHBondContact O-N 3.15Å; L270-A273 PolarHBondContact O-N 3.11Å; A273-Q276 PolarHBondContact O-N 2.94Å; A273-A277 WeakPolarHBondContact O-CB 3.38Å; A273-A277 PolarHBondContact O-N 3.2Å; A273-Y299 HydrophobicContact CB-CD2 3.69Å; A273-Y299 HydrophobicContact CB-CE2 3.66Å
274	C	98.9	Very high	98.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-46	174.3	-72	0	0	0	0	111.4	M179 L270 A277 M278 H295	M179-C274 HydrophobicContact CB-CB 4.34Å; M179-C274 HydrophobicContact CG-CB 3.94Å; M179-C274 HydrophobicContact SD-CB 4.01Å; L270-C274 WeakPolarHBondContact O-CB 3.49Å; L270-C274 PolarHBondContact O-N 3.25Å; L270-C274 PolarHBondContact O-SG 3.25Å; L270-C274 VanDerWaalsContact O-SG 3.37Å; C274-A277 PolarHBondContact O-N 3.24Å; C274-M278 HydrophobicContact CB-CE 4.39Å; C274-M278 WeakPolarHBondContact O-CE 3.47Å; C274-M278 WeakPolarHBondContact O-CG 3.41Å; C274-M278 PolarHBondContact O-N 2.93Å; C274-H295 HydrophobicContact CB-CB 4.13Å
275	H	98.8	Very high	98.7	Very high	31 Å²	31	51.5 Å²	51.5	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-48.9	178.1	174.9	54.7	0	0	0	112.4	M179 E180 T271 R272 A277 M278 M279	M179-H275 HydrophobicContact CB-CB 4.19Å; E180-H275 IonicContact OE2-CE1 3.29Å; E180-H275 PolarHBondContact OE2-CE1 2.97Å; E180-H275 IonicContact OE2-ND1 3.49Å; T271-H275 VanDerWaalsContact O-CB 3.31Å; T271-H275 WeakPolarHBondContact O-CB 3.39Å; T271-H275 PolarHBondContact O-N 3.22Å; R272-H275 PolarHBondContact O-N 3.24Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.29Å; H275-M278 WeakPolarHBondContact O-CB 3.35Å; H275-M278 PolarHBondContact O-N 3.27Å; H275-M278 VanDerWaalsContact O-N 3.16Å; H275-M279 VanDerWaalsContact CE1-SD 3.58Å; H275-M279 WeakPolarHBondContact O-CG 3.47Å; H275-M279 PolarHBondContact O-N 3.24Å
276	Q	98.9	Very high	98.7	Very high	117 Å²	117	47.9 Å²	47.9	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-42.7	177.5	-72.4	174.7	-15.7	0	0	111.7	R272 A273 M278 M279 V280	R272-Q276 HydrophobicContact CG-CG 4.46Å; R272-Q276 WeakPolarHBondContact O-CB 3.39Å; R272-Q276 WeakPolarHBondContact O-CG 3.36Å; R272-Q276 PolarHBondContact O-N 3.3Å; A273-Q276 PolarHBondContact O-N 2.94Å; Q276-M278 VanDerWaalsContact C-N 3.34Å; Q276-M278 PolarHBondContact O-N 3.28Å; Q276-M279 PolarHBondContact O-N 3.06Å; Q276-M279 VanDerWaalsContact O-N 3.15Å; Q276-V280 WeakPolarHBondContact O-CG2 3.49Å; Q276-V280 PolarHBondContact O-N 3.31Å
277	A	98.8	Very high	98.7	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.6	0	0	0	0	0	112.4	Q243 A273 C274 H275 M279 V280 D281 H295	Q243-A277 HydrophobicContact CB-CB 3.82Å; Q243-A277 HydrophobicContact CG-CB 4.35Å; A273-A277 WeakPolarHBondContact O-CB 3.38Å; A273-A277 PolarHBondContact O-N 3.2Å; C274-A277 PolarHBondContact O-N 3.24Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.29Å; A277-M279 VanDerWaalsContact C-N 3.32Å; A277-M279 PolarHBondContact O-N 2.91Å; A277-V280 PolarHBondContact O-N 3.32Å; A277-D281 PolarHBondContact O-N 3.45Å; A277-H295 WeakPolarHBondContact CB-ND1 3.44Å
278	M	98.8	Very high	98.7	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-35.6	173.9	-75.1	-177.1	-72.3	0	0	112.4	M176 M179 C274 H275 Q276 D281 Q282 D292 H295	M176-M278 HydrophobicContact CB-CE 4.43Å; M176-M278 HydrophobicContact CB-SD 3.55Å; M176-M278 VanDerWaalsContact CB-SD 3.55Å; M176-M278 HydrophobicContact CG-SD 3.62Å; M176-M278 VanDerWaalsContact O-CE 3.3Å; M176-M278 WeakPolarHBondContact O-CE 3.48Å; M176-M278 HydrophobicContact SD-SD 3.96Å; M179-M278 HydrophobicContact CB-CE 3.64Å; M179-M278 HydrophobicContact CG-CE 3.59Å; C274-M278 HydrophobicContact CB-CE 4.39Å; C274-M278 WeakPolarHBondContact O-CE 3.47Å; C274-M278 WeakPolarHBondContact O-CG 3.41Å; C274-M278 PolarHBondContact O-N 2.93Å; H275-M278 WeakPolarHBondContact O-CB 3.35Å; H275-M278 PolarHBondContact O-N 3.27Å; H275-M278 VanDerWaalsContact O-N 3.16Å; Q276-M278 VanDerWaalsContact C-N 3.34Å; Q276-M278 PolarHBondContact O-N 3.28Å; M278-D281 PolarHBondContact O-N 2.95Å; M278-Q282 WeakPolarHBondContact O-CB 3.33Å; M278-Q282 PolarHBondContact O-N 3.24Å; M278-D292 HydrophobicContact SD-CB 4.35Å; M278-H295 WeakPolarHBondContact CG-CD2 3.15Å; M278-H295 VanDerWaalsContact CG-NE2 3.32Å; M278-H295 WeakPolarHBondContact CG-NE2 3.29Å
279	M	98.7	Very high	98.7	Very high	57 Å²	57	51.4 Å²	51.4	28%	0.281	29%	0.289	S	S	.	.	H	α-helix	trans	-70.2	-35.2	176.9	-63.2	-52.2	83.4	0	0	112.1	R177 H275 Q276 A277 Q282 A283	R177-M279 PolarHBondContact NH1-SD 2.8Å; H275-M279 VanDerWaalsContact CE1-SD 3.58Å; H275-M279 WeakPolarHBondContact O-CG 3.47Å; H275-M279 PolarHBondContact O-N 3.24Å; Q276-M279 PolarHBondContact O-N 3.06Å; Q276-M279 VanDerWaalsContact O-N 3.15Å; A277-M279 VanDerWaalsContact C-N 3.32Å; A277-M279 PolarHBondContact O-N 2.91Å; M279-Q282 PolarHBondContact O-N 2.88Å; M279-A283 WeakPolarHBondContact O-CB 3.49Å; M279-A283 PolarHBondContact O-N 3.04Å
280	V	98.8	Very high	98.7	Very high	60 Å²	60	51.2 Å²	51.2	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-45.2	172.3	173.6	0	0	0	0	110.7	Q243 Q276 A277 Q282 A283 N284	Q243-V280 HydrophobicContact CG-CB 3.79Å; Q243-V280 HydrophobicContact CG-CG1 3.6Å; Q276-V280 WeakPolarHBondContact O-CG2 3.49Å; Q276-V280 PolarHBondContact O-N 3.31Å; A277-V280 PolarHBondContact O-N 3.32Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.91Å; V280-A283 PolarHBondContact O-N 3.01Å; V280-N284 WeakPolarHBondContact O-CB 3.48Å; V280-N284 PolarHBondContact O-N 3.32Å; V280-N284 PolarHBondContact O-ND2 3.23Å
281	D	98.8	Very high	98.7	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-45.2	175.7	-85	12.4	0	0	0	111.5	S242 Q243 A277 M278 A283 N284 G285 I286 H295	S242-D281 WeakPolarHBondContact CA-OD1 3.31Å; S242-D281 WeakPolarHBondContact CB-OD2 3.38Å; S242-D281 PolarHBondContact OG-OD2 2.8Å; Q243-D281 WeakPolarHBondContact CG-OD1 3.33Å; Q243-D281 PolarHBondContact N-OD1 3.37Å; A277-D281 PolarHBondContact O-N 3.45Å; M278-D281 PolarHBondContact O-N 2.95Å; D281-A283 VanDerWaalsContact C-N 3.35Å; D281-A283 PolarHBondContact O-N 3.48Å; D281-N284 CarbonylContact O-C 3.57Å; D281-N284 PolarHBondContact O-N 2.7Å; D281-N284 VanDerWaalsContact O-N 3.11Å; D281-G285 PolarHBondContact O-N 2.88Å; D281-G285 VanDerWaalsContact O-N 3.09Å; D281-I286 CarbonylContact C-O 3.53Å; D281-I286 HydrophobicContact CB-CG2 3.77Å; D281-I286 WeakPolarHBondContact CB-O 3.44Å; D281-I286 WeakPolarHBondContact O-CG2 3.27Å; D281-I286 PolarHBondContact O-N 2.99Å; D281-H295 IonicContact OD2-CE1 3.66Å; D281-H295 PolarHBondContact OD2-CE1 3.42Å; D281-H295 VanDerWaalsContact OD2-CE1 3.29Å; D281-H295 IonicContact OD2-NE2 3.96Å
282	Q	98.3	Very high	98.7	Very high	118 Å²	118	52.3 Å²	52.3	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-57.7	-45.4	175	-175	179.3	17.1	0	0	112.1	R177 M278 M279 V280 N284 G285	R177-Q282 VanDerWaalsContact NH2-OE1 3.16Å; M278-Q282 WeakPolarHBondContact O-CB 3.33Å; M278-Q282 PolarHBondContact O-N 3.24Å; M279-Q282 PolarHBondContact O-N 2.88Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.91Å; Q282-N284 VanDerWaalsContact C-N 3.26Å; Q282-N284 PolarHBondContact O-N 3.46Å; Q282-G285 PolarHBondContact O-N 2.98Å; Q282-G285 VanDerWaalsContact O-N 3.12Å
283	A	98.6	Very high	98.7	Very high	86 Å²	86	49.6 Å²	49.6	71%	0.711	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-30.6	177.9	0	0	0	0	0	112.8	M279 V280 D281 G285	M279-A283 WeakPolarHBondContact O-CB 3.49Å; M279-A283 PolarHBondContact O-N 3.04Å; V280-A283 PolarHBondContact O-N 3.01Å; D281-A283 VanDerWaalsContact C-N 3.35Å; D281-A283 PolarHBondContact O-N 3.48Å; A283-G285 VanDerWaalsContact C-N 3.29Å
284	N	98.4	Very high	98.7	Very high	105 Å²	105	48 Å²	48	56%	0.561	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	4	175.6	-67.5	-26.6	0	0	0	113.5	V280 D281 Q282 I286	V280-N284 WeakPolarHBondContact O-CB 3.48Å; V280-N284 PolarHBondContact O-N 3.32Å; V280-N284 PolarHBondContact O-ND2 3.23Å; D281-N284 CarbonylContact O-C 3.57Å; D281-N284 PolarHBondContact O-N 2.7Å; D281-N284 VanDerWaalsContact O-N 3.11Å; Q282-N284 VanDerWaalsContact C-N 3.26Å; Q282-N284 PolarHBondContact O-N 3.46Å; N284-I286 VanDerWaalsContact C-N 3.32Å; N284-I286 HydrophobicContact CB-CG2 4.28Å; N284-I286 PolarHBondContact O-N 3.26Å
285	G	98.4	Very high	98.7	Very high	74 Å²	74	48.2 Å²	48.2	76%	0.763	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	27.4	178.9	0	0	0	0	0	114	D281 Q282 A283	D281-G285 PolarHBondContact O-N 2.88Å; D281-G285 VanDerWaalsContact O-N 3.09Å; Q282-G285 PolarHBondContact O-N 2.98Å; Q282-G285 VanDerWaalsContact O-N 3.12Å; A283-G285 VanDerWaalsContact C-N 3.29Å
286	I	98.6	Very high	98.7	Very high	24 Å²	24	46.7 Å²	46.7	12%	0.123	27%	0.266	C	S	.	.			trans	-121.8	145.9	177.1	-168.9	163.7	0	0	0	110.4	R239 Q241 D281 N284	R239-I286 HydrophobicContact CB-CD1 4.14Å; Q241-I286 HydrophobicContact CB-CD1 4.09Å; D281-I286 CarbonylContact C-O 3.53Å; D281-I286 HydrophobicContact CB-CG2 3.77Å; D281-I286 WeakPolarHBondContact CB-O 3.44Å; D281-I286 WeakPolarHBondContact O-CG2 3.27Å; D281-I286 PolarHBondContact O-N 2.99Å; N284-I286 VanDerWaalsContact C-N 3.32Å; N284-I286 HydrophobicContact CB-CG2 4.28Å; N284-I286 PolarHBondContact O-N 3.26Å
287	E	98.8	Very high	98.7	Very high	60 Å²	60	41.2 Å²	41.2	28%	0.28	24%	0.24	S	C	.	.			trans	-126.2	127.7	171.1	-176.5	175.4	98.7	0	0	107.3	R170 M176 R239 H291	R170-E287 IonicContact CZ-OE1 3.43Å; R170-E287 IonicContact CZ-OE2 3.41Å; R170-E287 VanDerWaalsContact CZ-OE2 3.3Å; R170-E287 IonicContact NH1-OE1 2.65Å; R170-E287 IonicContact NH1-OE2 2.76Å; R170-E287 PolarHBondContact NH1-OE2 2.83Å; R170-E287 VanDerWaalsContact NH2-CD 3.26Å; R170-E287 IonicContact NH2-OE1 3.51Å; R170-E287 PolarHBondContact NH2-OE1 3.35Å; R170-E287 IonicContact NH2-OE2 3.28Å; R170-E287 PolarHBondContact NH2-OE2 2.85Å; M176-E287 HydrophobicContact CE-CG 4.23Å; M176-E287 WeakPolarHBondContact CE-OE2 3.46Å; M176-E287 HydrophobicContact SD-CG 4.17Å; R239-E287 PolarHBondContact NH2-O 3.03Å; E287-H291 IonicContact OE1-CD2 3.74Å; E287-H291 PolarHBondContact OE1-CD2 2.73Å; E287-H291 IonicContact OE1-NE2 2.93Å
288	A	98.7	Very high	98.7	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	24%	0.242	C	C	.	.			trans	-64.1	145.7	-175.8	0	0	0	0	0	112.1	E237 A244 W290 H291	E237-A288 WeakPolarHBondContact OE2-CA 3.26Å; A244-A288 HydrophobicContact CB-CB 3.94Å; A288-W290 VanDerWaalsContact C-N 3.29Å; A288-W290 PolarHBondContact O-N 3.01Å; A288-W290 VanDerWaalsContact O-N 3.14Å; A288-H291 PolarHBondContact O-N 2.87Å
289	V	98.7	Very high	98.7	Very high	70 Å²	70	43.1 Å²	43.1	42%	0.424	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.7	-168.6	64	0	0	0	0	114.8	E237	E237-V289 HydrophobicContact CB-CG1 4.33Å; E237-V289 PolarHBondContact OE2-N 3.45Å
290	W	98.6	Very high	98.7	Very high	121 Å²	121	40.4 Å²	40.4	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	36	173.9	-65.5	109.3	0	0	0	111.9	T235 Y254 A288 D292 E293 S294	T235-W290 VanDerWaalsContact CB-NE1 3.27Å; T235-W290 PolarHBondContact OG1-NE1 3.46Å; Y254-W290 VanDerWaalsContact OH-CD1 3.3Å; A288-W290 VanDerWaalsContact C-N 3.29Å; A288-W290 PolarHBondContact O-N 3.01Å; A288-W290 VanDerWaalsContact O-N 3.14Å; W290-D292 PolarHBondContact O-N 3.16Å; W290-E293 HydrophobicContact CB-CB 4.28Å; W290-E293 WeakPolarHBondContact O-CB 3.49Å; W290-E293 PolarHBondContact O-N 3.49Å; W290-S294 WeakPolarHBondContact CA-OG 3.09Å; W290-S294 PolarHBondContact N-OG 3.2Å; W290-S294 PolarHBondContact O-N 3.34Å
291	H	98.7	Very high	98.7	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	54.8	-130.2	168.1	-42.8	93.6	0	0	0	111.9	W171 Q172 M176 E287 A288 E293 S294 H295	W171-H291 AromaticContact CH2-CE1 3.28Å; W171-H291 WeakPolarHBondContact CH2-CE1 3.15Å; W171-H291 AromaticContact CH2-ND1 3.71Å; W171-H291 AromaticContact CH2-NE2 3.98Å; W171-H291 AromaticContact CZ2-CE1 3.93Å; W171-H291 AromaticContact CZ3-CE1 3.95Å; W171-H291 AromaticContact CZ3-ND1 3.96Å; Q172-H291 VanDerWaalsContact CG-CD2 3.4Å; Q172-H291 WeakPolarHBondContact CG-CD2 3.2Å; Q172-H291 WeakPolarHBondContact CG-NE2 3.3Å; M176-H291 HydrophobicContact CG-CB 3.71Å; M176-H291 HydrophobicContact SD-CB 4.09Å; E287-H291 IonicContact OE1-CD2 3.74Å; E287-H291 PolarHBondContact OE1-CD2 2.73Å; E287-H291 IonicContact OE1-NE2 2.93Å; A288-H291 PolarHBondContact O-N 2.87Å; H291-E293 VanDerWaalsContact C-N 3.28Å; H291-E293 PolarHBondContact O-N 3.4Å; H291-S294 WeakPolarHBondContact O-CB 3.39Å; H291-S294 PolarHBondContact O-N 3.33Å; H291-H295 PolarHBondContact O-CD2 3.38Å; H291-H295 VanDerWaalsContact O-CD2 3.31Å
292	D	98.6	Very high	98.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-31.5	178.2	49.3	-58.3	0	0	0	113.9	S175 R178 M179 M278 W290 S294 H295 L296	S175-D292 WeakPolarHBondContact CB-OD1 3.35Å; S175-D292 PolarHBondContact OG-OD1 2.82Å; S175-D292 PolarHBondContact OG-OD2 3.03Å; R178-D292 IonicContact CZ-OD2 2.61Å; R178-D292 IonicContact NE-OD2 3.59Å; R178-D292 IonicContact NH2-OD2 3.89Å; R178-D292 PolarHBondContact NH2-OD2 2.98Å; M179-D292 HydrophobicContact CE-CB 3.93Å; M179-D292 HydrophobicContact CG-CB 4.31Å; M278-D292 HydrophobicContact SD-CB 4.35Å; W290-D292 PolarHBondContact O-N 3.16Å; D292-S294 VanDerWaalsContact C-N 3.29Å; D292-S294 PolarHBondContact O-N 3Å; D292-H295 PolarHBondContact O-N 3.17Å; D292-L296 WeakPolarHBondContact O-CB 3.42Å; D292-L296 PolarHBondContact O-N 3.38Å
293	E	98.9	Very high	98.8	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-34.3	177.6	-177.5	174.1	93.8	0	0	111.9	H223 Y254 Y255 L256 G257 W290 H291 L296 N297	H223-E293 IonicContact CD2-OE2 3.43Å; Y254-E293 HydrophobicContact CE1-CG 4.49Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.37Å; Y254-E293 VanDerWaalsContact CZ-OE1 3.24Å; Y254-E293 PolarHBondContact OH-OE1 2.92Å; Y255-E293 WeakPolarHBondContact O-CG 3.44Å; L256-E293 WeakPolarHBondContact CA-OE2 3.46Å; G257-E293 PolarHBondContact N-OE2 3.29Å; W290-E293 HydrophobicContact CB-CB 4.28Å; W290-E293 WeakPolarHBondContact O-CB 3.49Å; W290-E293 PolarHBondContact O-N 3.49Å; H291-E293 VanDerWaalsContact C-N 3.28Å; H291-E293 PolarHBondContact O-N 3.4Å; E293-L296 PolarHBondContact O-N 3.02Å; E293-N297 PolarHBondContact O-N 3.39Å; E293-N297 PolarHBondContact O-ND2 2.87Å
294	S	98.9	Very high	98.8	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-43.8	175.4	-64	0	0	0	0	111.5	W290 H291 D292 N297 K298	W290-S294 WeakPolarHBondContact CA-OG 3.09Å; W290-S294 PolarHBondContact N-OG 3.2Å; W290-S294 PolarHBondContact O-N 3.34Å; H291-S294 WeakPolarHBondContact O-CB 3.39Å; H291-S294 PolarHBondContact O-N 3.33Å; D292-S294 VanDerWaalsContact C-N 3.29Å; D292-S294 PolarHBondContact O-N 3Å; S294-N297 PolarHBondContact O-N 3.05Å; S294-K298 PolarHBondContact O-N 2.78Å; S294-K298 VanDerWaalsContact O-N 3.15Å
295	H	98.9	Very high	98.8	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-37.5	176.9	-66.5	-82.2	0	0	0	112.2	C274 A277 M278 D281 H291 D292 N297 K298 Y299	C274-H295 HydrophobicContact CB-CB 4.13Å; A277-H295 WeakPolarHBondContact CB-ND1 3.44Å; M278-H295 WeakPolarHBondContact CG-CD2 3.15Å; M278-H295 VanDerWaalsContact CG-NE2 3.32Å; M278-H295 WeakPolarHBondContact CG-NE2 3.29Å; D281-H295 IonicContact OD2-CE1 3.66Å; D281-H295 PolarHBondContact OD2-CE1 3.42Å; D281-H295 VanDerWaalsContact OD2-CE1 3.29Å; D281-H295 IonicContact OD2-NE2 3.96Å; H291-H295 PolarHBondContact O-CD2 3.38Å; H291-H295 VanDerWaalsContact O-CD2 3.31Å; D292-H295 PolarHBondContact O-N 3.17Å; H295-N297 PolarHBondContact O-N 3.07Å; H295-K298 PolarHBondContact O-N 3.24Å; H295-Y299 PolarHBondContact O-N 3.41Å
296	L	98.9	Very high	98.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-48.9	173.4	174.1	65.7	0	0	0	111.3	L256 F260 L270 D292 E293 K298 Y299 L300	L256-L296 VanDerWaalsContact O-CD2 3.24Å; L256-L296 WeakPolarHBondContact O-CD2 3.41Å; F260-L296 HydrophobicContact CB-CD1 4.45Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CG-CD1 4.42Å; L270-L296 HydrophobicContact CD1-CD1 3.74Å; L270-L296 HydrophobicContact CD2-CD1 4.05Å; L270-L296 HydrophobicContact CG-CD1 4.28Å; D292-L296 WeakPolarHBondContact O-CB 3.42Å; D292-L296 PolarHBondContact O-N 3.38Å; E293-L296 PolarHBondContact O-N 3.02Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 2.82Å; L296-Y299 PolarHBondContact O-N 2.98Å; L296-Y299 VanDerWaalsContact O-N 3.16Å; L296-L300 HydrophobicContact CD1-CD1 3.8Å; L296-L300 HydrophobicContact CD1-CG 4.02Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 HydrophobicContact CG-CG 4.49Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.3Å
297	N	98.9	Very high	98.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178.9	-84.8	-78.9	0	0	0	112	Y236 I246 Y255 E293 S294 H295 Y299 L300 L301	Y236-N297 HydrophobicContact CD1-CB 3.82Å; Y236-N297 HydrophobicContact CE1-CB 3.66Å; Y236-N297 WeakPolarHBondContact CE1-OD1 3.36Å; I246-N297 HydrophobicContact CD1-CB 4.26Å; Y255-N297 PolarHBondContact N-OD1 3.11Å; Y255-N297 PolarHBondContact O-ND2 2.89Å; E293-N297 PolarHBondContact O-N 3.39Å; E293-N297 PolarHBondContact O-ND2 2.87Å; S294-N297 PolarHBondContact O-N 3.05Å; H295-N297 PolarHBondContact O-N 3.07Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-Y299 PolarHBondContact O-N 2.82Å; N297-L300 PolarHBondContact O-N 3.05Å; N297-L301 WeakPolarHBondContact O-CB 3.23Å; N297-L301 PolarHBondContact O-N 3.44Å
298	K	98.9	Very high	98.8	Very high	51 Å²	51	34.8 Å²	34.8	22%	0.222	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-43.8	173.6	175.5	58.1	165.8	-76.4	0	111.8	Q243 Y245 I246 S294 H295 L296 R302	Q243-K298 PolarHBondContact O-NZ 3.21Å; Y245-K298 PolarHBondContact O-NZ 3.18Å; I246-K298 HydrophobicContact CD1-CB 4.46Å; I246-K298 HydrophobicContact CG1-CD 4.25Å; S294-K298 PolarHBondContact O-N 2.78Å; S294-K298 VanDerWaalsContact O-N 3.15Å; H295-K298 PolarHBondContact O-N 3.24Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 2.82Å; K298-R302 HydrophobicContact CD-CG 4.4Å; K298-R302 WeakPolarHBondContact O-CG 3.48Å; K298-R302 PolarHBondContact O-N 2.97Å
299	Y	98.9	Very high	98.9	Very high	20 Å²	20	34.6 Å²	34.6	8%	0.078	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-50.6	178.6	-175.6	-89.4	0	0	0	111.2	L218 L270 A273 H295 L296 N297 L301 R302 H303	L218-Y299 HydrophobicContact CD2-CE1 4.07Å; L270-Y299 VanDerWaalsContact CA-CZ 3.47Å; L270-Y299 HydrophobicContact CB-CD1 3.96Å; L270-Y299 HydrophobicContact CB-CE1 3.59Å; L270-Y299 HydrophobicContact CB-CE2 4.43Å; L270-Y299 HydrophobicContact CD1-CD1 3.72Å; L270-Y299 HydrophobicContact CD1-CE1 3.9Å; L270-Y299 HydrophobicContact CG-CD1 3.63Å; L270-Y299 HydrophobicContact CG-CE1 3.8Å; L270-Y299 HydrophobicContact CG-CG 4.12Å; L270-Y299 PolarHBondContact N-OH 2.89Å; A273-Y299 HydrophobicContact CB-CD2 3.69Å; A273-Y299 HydrophobicContact CB-CE2 3.66Å; H295-Y299 PolarHBondContact O-N 3.41Å; L296-Y299 PolarHBondContact O-N 2.98Å; L296-Y299 VanDerWaalsContact O-N 3.16Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-Y299 PolarHBondContact O-N 2.82Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 3.11Å; Y299-R302 CarbonylContact O-C 3.59Å; Y299-R302 PolarHBondContact O-N 3.49Å; Y299-H303 HydrophobicContact CD1-CB 4.14Å; Y299-H303 AromaticContact CD2-CE1 3.98Å; Y299-H303 AromaticContact CD2-ND1 3.56Å; Y299-H303 HydrophobicContact CE1-CB 3.71Å; Y299-H303 AromaticContact CE1-CG 3.98Å; Y299-H303 AromaticContact CE2-CE1 3.75Å; Y299-H303 AromaticContact CE2-CG 3.98Å; Y299-H303 AromaticContact CE2-ND1 3.47Å; Y299-H303 WeakPolarHBondContact CE2-ND1 3.42Å; Y299-H303 AromaticContact CG-ND1 3.89Å; Y299-H303 AromaticContact CZ-CG 3.75Å; Y299-H303 AromaticContact CZ-ND1 3.72Å; Y299-H303 WeakPolarHBondContact O-CB 3.13Å; Y299-H303 PolarHBondContact O-N 2.9Å; Y299-H303 PolarHBondContact O-ND1 3.48Å; Y299-H303 VanDerWaalsContact O-ND1 3.09Å
300	L	98.9	Very high	98.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.3	-26.8	-177.3	-67.1	179.4	0	0	0	113.5	L218 Y255 L270 L296 N297 R302 H303 P305	L218-L300 HydrophobicContact CD1-CD2 4.3Å; L218-L300 HydrophobicContact CD2-CD2 3.88Å; L218-L300 HydrophobicContact CG-CD2 4.13Å; Y255-L300 HydrophobicContact CD1-CD1 4.05Å; Y255-L300 HydrophobicContact CD2-CB 3.76Å; Y255-L300 HydrophobicContact CD2-CD1 3.61Å; Y255-L300 HydrophobicContact CD2-CG 4.35Å; Y255-L300 HydrophobicContact CE1-CD1 4.5Å; Y255-L300 HydrophobicContact CE2-CB 3.67Å; Y255-L300 HydrophobicContact CE2-CD1 4.1Å; Y255-L300 HydrophobicContact CG-CD1 3.55Å; L270-L300 HydrophobicContact CD1-CD2 4.2Å; L296-L300 HydrophobicContact CD1-CD1 3.8Å; L296-L300 HydrophobicContact CD1-CG 4.02Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 HydrophobicContact CG-CG 4.49Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 3.3Å; N297-L300 PolarHBondContact O-N 3.05Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-H303 WeakPolarHBondContact CA-O 3.38Å; L300-H303 CarbonylContact O-C 3.54Å; L300-P305 HydrophobicContact CD2-CB 4.19Å; L300-P305 HydrophobicContact CD2-CG 4.44Å
301	L	98.9	Very high	98.9	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-38.5	169.8	176	61.6	0	0	0	111.6	I246 E250 N297 Y299 K304	I246-L301 HydrophobicContact CB-CD2 4.44Å; I246-L301 HydrophobicContact CD1-CD2 3.96Å; I246-L301 HydrophobicContact CG1-CD2 3.91Å; I246-L301 HydrophobicContact CG2-CD2 3.73Å; E250-L301 HydrophobicContact CB-CD2 4.3Å; N297-L301 WeakPolarHBondContact O-CB 3.23Å; N297-L301 PolarHBondContact O-N 3.44Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 3.11Å; L301-K304 WeakPolarHBondContact O-CE 3.5Å; L301-K304 PolarHBondContact O-NZ 3Å
302	R	98.8	Very high	98.9	Very high	138 Å²	138	24.7 Å²	24.7	52%	0.521	11%	0.111	S	C	.	.	H	α-helix	trans	-92	-23.6	-177.6	-58.7	-57.7	179.4	-171.6	-2.5	113.3	E250 K298 Y299 L300	E250-R302 IonicContact OE1-NH2 2.76Å; E250-R302 PolarHBondContact OE1-NH2 3.13Å; E250-R302 IonicContact OE2-CZ 3.58Å; E250-R302 VanDerWaalsContact OE2-CZ 3.26Å; E250-R302 IonicContact OE2-NH1 3.85Å; E250-R302 PolarHBondContact OE2-NH1 3.01Å; E250-R302 IonicContact OE2-NH2 3.24Å; E250-R302 PolarHBondContact OE2-NH2 2.9Å; K298-R302 HydrophobicContact CD-CG 4.4Å; K298-R302 WeakPolarHBondContact O-CG 3.48Å; K298-R302 PolarHBondContact O-N 2.97Å; Y299-R302 CarbonylContact O-C 3.59Å; Y299-R302 PolarHBondContact O-N 3.49Å; L300-R302 VanDerWaalsContact C-N 3.3Å
303	H	98.8	Very high	98.9	Very high	93 Å²	93	24.5 Å²	24.5	43%	0.431	11%	0.11	S	C	.	.	S	Bend	trans	-126.7	89.4	179	-52	89	0	0	0	108.1	Y299 L300	Y299-H303 HydrophobicContact CD1-CB 4.14Å; Y299-H303 AromaticContact CD2-CE1 3.98Å; Y299-H303 AromaticContact CD2-ND1 3.56Å; Y299-H303 HydrophobicContact CE1-CB 3.71Å; Y299-H303 AromaticContact CE1-CG 3.98Å; Y299-H303 AromaticContact CE2-CE1 3.75Å; Y299-H303 AromaticContact CE2-CG 3.98Å; Y299-H303 AromaticContact CE2-ND1 3.47Å; Y299-H303 WeakPolarHBondContact CE2-ND1 3.42Å; Y299-H303 AromaticContact CG-ND1 3.89Å; Y299-H303 AromaticContact CZ-CG 3.75Å; Y299-H303 AromaticContact CZ-ND1 3.72Å; Y299-H303 WeakPolarHBondContact O-CB 3.13Å; Y299-H303 PolarHBondContact O-N 2.9Å; Y299-H303 PolarHBondContact O-ND1 3.48Å; Y299-H303 VanDerWaalsContact O-ND1 3.09Å; L300-H303 WeakPolarHBondContact CA-O 3.38Å; L300-H303 CarbonylContact O-C 3.54Å
304	K	98.9	Very high	98.8	Very high	77 Å²	77	23.7 Å²	23.7	34%	0.335	11%	0.106	S	C	.	.			trans	-60.1	128.6	-169.8	-59.8	-53.2	-169.1	-169.3	0	110.9	W80 D252 L301	W80-K304 HydrophobicContact CD2-CB 4.03Å; W80-K304 HydrophobicContact CD2-CD 4.21Å; W80-K304 HydrophobicContact CD2-CG 4.11Å; W80-K304 HydrophobicContact CE3-CD 4.19Å; W80-K304 HydrophobicContact CE3-CG 4.49Å; W80-K304 HydrophobicContact CG-CB 3.98Å; W80-K304 HydrophobicContact CG-CG 4.19Å; W80-K304 HydrophobicContact CH2-CD 4.45Å; W80-K304 HydrophobicContact CZ2-CB 4.49Å; W80-K304 HydrophobicContact CZ2-CD 4.49Å; W80-K304 HydrophobicContact CZ3-CD 4.32Å; D252-K304 IonicContact OD1-NZ 2.62Å; D252-K304 PolarHBondContact OD1-NZ 3.02Å; D252-K304 IonicContact OD2-NZ 3.83Å; D252-K304 PolarHBondContact OD2-NZ 2.73Å; L301-K304 WeakPolarHBondContact O-CE 3.5Å; L301-K304 PolarHBondContact O-NZ 3Å
305	P	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.			trans	-68.4	141.6	177.8	29	-35	0	0	0	110.7	W80 A82 L218 Y255 L300 K307 V308	W80-P305 HydrophobicContact CZ2-CG 4.08Å; W80-P305 PolarHBondContact NE1-O 3.34Å; A82-P305 WeakPolarHBondContact CB-O 3.27Å; L218-P305 HydrophobicContact CG-CB 4.34Å; L218-P305 CarbonylContact O-C 3.54Å; Y255-P305 HydrophobicContact CE1-CG 4.24Å; L300-P305 HydrophobicContact CD2-CB 4.19Å; L300-P305 HydrophobicContact CD2-CG 4.44Å; P305-K307 VanDerWaalsContact C-N 3.35Å; P305-K307 WeakPolarHBondContact CB-O 3.35Å; P305-V308 HydrophobicContact CG-CG2 3.8Å
306	T	98.9	Very high	98.8	Very high	55 Å²	55	25.1 Å²	25.1	34%	0.337	11%	0.114	S	C	.	.	S	Bend	trans	-77.7	-16.4	-179.9	53.9	0	0	0	0	114.2	A82 P83 T216 P217 L218	A82-T306 VanDerWaalsContact CB-O 3.28Å; A82-T306 WeakPolarHBondContact CB-O 3.23Å; P83-T306 WeakPolarHBondContact CD-O 3.16Å; T216-T306 WeakPolarHBondContact CB-OG1 3.41Å; T216-T306 VanDerWaalsContact CG2-OG1 3.25Å; T216-T306 WeakPolarHBondContact CG2-OG1 3.1Å; T216-T306 WeakPolarHBondContact OG1-CB 3.47Å; T216-T306 PolarHBondContact OG1-OG1 3.34Å; P217-T306 HydrophobicContact CB-CG2 4.3Å; P217-T306 WeakPolarHBondContact CD-OG1 3.39Å; P217-T306 HydrophobicContact CG-CG2 4.47Å; L218-T306 PolarHBondContact N-OG1 3.07Å; L218-T306 PolarHBondContact O-N 3.18Å; L218-T306 PolarHBondContact O-OG1 3.4Å
307	K	98.9	Very high	98.7	Very high	32 Å²	32	28.6 Å²	28.6	14%	0.139	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.5	160	-69.1	-180	-177.7	169.2	0	109.3	P83 V85 E213 L215 T216 L218 F219 P305	P83-K307 HydrophobicContact CB-CG 4.46Å; P83-K307 HydrophobicContact CG-CG 4.39Å; P83-K307 WeakPolarHBondContact O-CA 3.32Å; V85-K307 HydrophobicContact CG2-CB 4.41Å; V85-K307 HydrophobicContact CG2-CD 4.13Å; E213-K307 WeakPolarHBondContact O-CD 3.43Å; E213-K307 PolarHBondContact O-NZ 2.76Å; L215-K307 WeakPolarHBondContact O-CE 3.46Å; L215-K307 PolarHBondContact O-NZ 2.9Å; T216-K307 HydrophobicContact CG2-CB 3.7Å; T216-K307 HydrophobicContact CG2-CD 3.99Å; T216-K307 HydrophobicContact CG2-CG 3.79Å; L218-K307 PolarHBondContact O-N 3.22Å; F219-K307 VanDerWaalsContact CA-O 3.23Å; F219-K307 WeakPolarHBondContact CA-O 3.21Å; F219-K307 HydrophobicContact CB-CB 4.29Å; F219-K307 VanDerWaalsContact CB-O 3.29Å; F219-K307 WeakPolarHBondContact CB-O 3.43Å; P305-K307 VanDerWaalsContact C-N 3.35Å; P305-K307 WeakPolarHBondContact CB-O 3.35Å
308	V	98.9	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.9	169.6	177.3	0	0	0	0	108	T78 W80 P83 I84 V85 G220 L222 Y255 P305	T78-V308 HydrophobicContact CG2-CG2 3.87Å; W80-V308 HydrophobicContact CZ2-CG2 4.26Å; P83-V308 PolarHBondContact O-N 3.49Å; I84-V308 CarbonylContact C-O 3.52Å; I84-V308 WeakPolarHBondContact CA-O 3.49Å; I84-V308 HydrophobicContact CG1-CB 4.28Å; I84-V308 HydrophobicContact CG2-CB 4.38Å; I84-V308 HydrophobicContact CG2-CG1 4.32Å; V85-V308 PolarHBondContact N-O 2.75Å; G220-V308 CarbonylContact O-C 3.45Å; G220-V308 WeakPolarHBondContact O-CA 3.22Å; L222-V308 HydrophobicContact CD1-CG1 4.34Å; L222-V308 HydrophobicContact CD2-CG1 3.66Å; L222-V308 HydrophobicContact CG-CG1 3.66Å; Y255-V308 HydrophobicContact CE1-CG1 4.01Å; Y255-V308 HydrophobicContact CE1-CG2 4.05Å; P305-V308 HydrophobicContact CG-CG2 3.8Å
309	L	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.6	176.1	-51.7	-172.2	0	0	0	109.8	V85 I214 F219 G220 T221 L222 F259 Y313	V85-L309 HydrophobicContact CB-CD2 3.92Å; V85-L309 HydrophobicContact CG2-CD2 3.75Å; I214-L309 HydrophobicContact CB-CD1 3.97Å; I214-L309 HydrophobicContact CB-CD2 3.77Å; I214-L309 HydrophobicContact CG2-CD1 3.9Å; I214-L309 HydrophobicContact CG2-CD2 3.79Å; F219-L309 HydrophobicContact CD2-CD1 3.65Å; F219-L309 HydrophobicContact CD2-CG 3.83Å; F219-L309 HydrophobicContact CE2-CD1 3.63Å; F219-L309 HydrophobicContact CE2-CG 4.33Å; G220-L309 PolarHBondContact O-N 3.14Å; T221-L309 HydrophobicContact CG2-CB 3.99Å; L222-L309 WeakPolarHBondContact CG-O 3.23Å; L222-L309 PolarHBondContact N-O 2.73Å; F259-L309 HydrophobicContact CD1-CD1 4.28Å; F259-L309 HydrophobicContact CE1-CD1 3.88Å; F259-L309 HydrophobicContact CZ-CD1 4.08Å; L309-Y313 HydrophobicContact CB-CD2 3.96Å; L309-Y313 HydrophobicContact CB-CG 4.04Å; L309-Y313 HydrophobicContact CD1-CD1 4.22Å; L309-Y313 HydrophobicContact CD1-CG 4.09Å
310	S	98.9	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.			trans	-68.1	167.9	172.7	65.5	0	0	0	0	112.1	V85 E312 Y313	V85-S310 WeakPolarHBondContact O-CB 3.37Å; V85-S310 PolarHBondContact O-N 2.52Å; V85-S310 VanDerWaalsContact O-N 3.16Å; V85-S310 PolarHBondContact O-OG 3.49Å; S310-E312 PolarHBondContact O-N 2.75Å; S310-E312 WeakPolarHBondContact OG-CB 3.28Å; S310-E312 WeakPolarHBondContact OG-CG 3.37Å; S310-E312 PolarHBondContact OG-N 3.18Å; S310-Y313 PolarHBondContact O-N 3.27Å; S310-Y313 VanDerWaalsContact O-N 3.08Å
311	P	98.8	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.9	-7.6	173.6	-20.2	33.2	0	0	0	114.4	W86 L222 P224 Y227 Y313 L314 W315 L326	W86-P311 VanDerWaalsContact CH2-CD 3.47Å; W86-P311 HydrophobicContact CH2-CG 4.37Å; L222-P311 HydrophobicContact CB-CG 4.1Å; P224-P311 HydrophobicContact CB-CB 4.27Å; Y227-P311 HydrophobicContact CD1-CB 4.38Å; Y227-P311 HydrophobicContact CD1-CG 3.69Å; Y227-P311 HydrophobicContact CD2-CG 4.19Å; Y227-P311 HydrophobicContact CE1-CG 4.4Å; Y227-P311 HydrophobicContact CG-CG 3.57Å; P311-Y313 PolarHBondContact O-N 3.46Å; P311-L314 CarbonylContact O-C 3.51Å; P311-L314 VanDerWaalsContact O-C 3.31Å; P311-L314 PolarHBondContact O-N 3.37Å; P311-L314 VanDerWaalsContact O-O 3.04Å; P311-W315 HydrophobicContact CB-CE3 3.57Å; P311-W315 HydrophobicContact CB-CZ3 3.61Å; P311-L326 HydrophobicContact CB-CD2 4.22Å
312	E	98.9	Very high	98.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.9	169.2	-60.1	-178.3	171.5	0	0	111.5	R71 W86 E87 S310 L326 K328 R330	R71-E312 IonicContact NH1-OE1 3.43Å; W86-E312 HydrophobicContact CE3-CG 4.07Å; W86-E312 HydrophobicContact CZ3-CG 4.29Å; E87-E312 WeakPolarHBondContact CB-OE1 3.37Å; E87-E312 WeakPolarHBondContact CB-OE2 3.42Å; E87-E312 PolarHBondContact N-OE1 2.89Å; E87-E312 PolarHBondContact N-OE2 3.47Å; S310-E312 PolarHBondContact O-N 2.75Å; S310-E312 WeakPolarHBondContact OG-CB 3.28Å; S310-E312 WeakPolarHBondContact OG-CG 3.37Å; S310-E312 PolarHBondContact OG-N 3.18Å; E312-L326 HydrophobicContact CG-CD2 4.07Å; E312-K328 WeakPolarHBondContact CB-O 3.49Å; E312-K328 WeakPolarHBondContact CG-O 3.39Å; E312-R330 HydrophobicContact CB-CG 4.28Å; E312-R330 WeakPolarHBondContact O-CA 3.26Å; E312-R330 VanDerWaalsContact O-CB 3.23Å; E312-R330 WeakPolarHBondContact O-CB 3.29Å; E312-R330 WeakPolarHBondContact O-CG 3.39Å; E312-R330 PolarHBondContact O-N 2.94Å; E312-R330 IonicContact OE2-CZ 2.7Å; E312-R330 IonicContact OE2-NE 3.52Å; E312-R330 PolarHBondContact OE2-NE 3.19Å; E312-R330 VanDerWaalsContact OE2-NE 3.11Å; E312-R330 IonicContact OE2-NH2 2.87Å; E312-R330 PolarHBondContact OE2-NH2 2.73Å
313	Y	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-90.1	-5.5	-177	-68.8	-91	0	0	0	114	V85 V210 E213 I214 F259 L309 S310 P311 R330 F331	V85-Y313 HydrophobicContact CB-CE2 4.2Å; V85-Y313 HydrophobicContact CG1-CE2 3.79Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.49Å; V210-Y313 HydrophobicContact CG1-CD1 4.16Å; V210-Y313 HydrophobicContact CG1-CE1 4.25Å; V210-Y313 HydrophobicContact CG2-CD1 4.16Å; V210-Y313 HydrophobicContact CG2-CE1 4.36Å; E213-Y313 WeakPolarHBondContact CG-OH 3.32Å; E213-Y313 WeakPolarHBondContact OE1-CE1 3.28Å; E213-Y313 PolarHBondContact OE1-OH 3.49Å; I214-Y313 HydrophobicContact CG2-CD1 3.82Å; I214-Y313 HydrophobicContact CG2-CE1 3.34Å; F259-Y313 WeakPolarHBondContact CD2-O 3.47Å; F259-Y313 VanDerWaalsContact CE2-O 3.26Å; F259-Y313 WeakPolarHBondContact CE2-O 3.45Å; L309-Y313 HydrophobicContact CB-CD2 3.96Å; L309-Y313 HydrophobicContact CB-CG 4.04Å; L309-Y313 HydrophobicContact CD1-CD1 4.22Å; L309-Y313 HydrophobicContact CD1-CG 4.09Å; S310-Y313 PolarHBondContact O-N 3.27Å; S310-Y313 VanDerWaalsContact O-N 3.08Å; P311-Y313 PolarHBondContact O-N 3.46Å; Y313-R330 VanDerWaalsContact CE1-CD 3.44Å; Y313-R330 VanDerWaalsContact CZ-CD 3.43Å; Y313-F331 WeakPolarHBondContact O-CB 3.29Å; Y313-F331 WeakPolarHBondContact O-CD1 3.23Å
314	L	97.5	Very high	98.3	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	24%	0.244	C	C	.	.	S	Bend	trans	-160	112.4	166.5	-165.8	160.1	0	0	0	109.2	M204 T221 P224 L256 F259 P311 F331	M204-L314 HydrophobicContact CE-CD1 3.86Å; M204-L314 HydrophobicContact CE-CD2 3.88Å; M204-L314 HydrophobicContact CE-CG 3.92Å; T221-L314 HydrophobicContact CG2-CB 4.12Å; P224-L314 HydrophobicContact CG-CD2 4.17Å; L256-L314 HydrophobicContact CD1-CB 4.49Å; L256-L314 HydrophobicContact CD1-CD1 3.71Å; L256-L314 HydrophobicContact CD1-CD2 3.37Å; L256-L314 HydrophobicContact CD1-CG 4.02Å; L256-L314 HydrophobicContact CD2-CD1 3.36Å; L256-L314 HydrophobicContact CD2-CD2 4.37Å; L256-L314 HydrophobicContact CD2-CG 4.46Å; L256-L314 HydrophobicContact CG-CD1 4.06Å; F259-L314 HydrophobicContact CB-CD1 3.84Å; P311-L314 CarbonylContact O-C 3.51Å; P311-L314 VanDerWaalsContact O-C 3.31Å; P311-L314 PolarHBondContact O-N 3.37Å; P311-L314 VanDerWaalsContact O-O 3.04Å; L314-F331 VanDerWaalsContact CA-O 3.29Å; L314-F331 WeakPolarHBondContact CA-O 3.23Å; L314-F331 HydrophobicContact CG-CD1 4.36Å
315	W	98.5	Very high	98.3	Very high	3 Å²	3	43 Å²	43	1%	0.011	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-137	148	-173.7	-165.3	-106.6	0	0	0	113.5	P224 Y227 P311 L320 G321 P323 L326 L329 F331 T332 A333	P224-W315 HydrophobicContact CB-CD2 4.17Å; P224-W315 HydrophobicContact CB-CE3 3.26Å; P224-W315 HydrophobicContact CB-CH2 4.39Å; P224-W315 HydrophobicContact CB-CZ3 3.39Å; Y227-W315 HydrophobicContact CD1-CZ3 4.28Å; Y227-W315 AromaticContact CE1-CH2 3.74Å; Y227-W315 HydrophobicContact CE1-CH2 3.74Å; Y227-W315 AromaticContact CE1-CZ3 3.7Å; Y227-W315 HydrophobicContact CE1-CZ3 3.7Å; P311-W315 HydrophobicContact CB-CE3 3.57Å; P311-W315 HydrophobicContact CB-CZ3 3.61Å; W315-L320 HydrophobicContact CE3-CD1 4.42Å; W315-L320 HydrophobicContact CH2-CB 3.88Å; W315-L320 HydrophobicContact CH2-CD1 3.92Å; W315-L320 HydrophobicContact CZ2-CB 3.31Å; W315-L320 HydrophobicContact CZ2-CD1 4.05Å; W315-L320 HydrophobicContact CZ2-CG 4.32Å; W315-L320 HydrophobicContact CZ3-CD1 4.12Å; W315-G321 PolarHBondContact NE1-O 3.42Å; W315-P323 HydrophobicContact CH2-CG 3.94Å; W315-P323 VanDerWaalsContact CZ2-CD 3.46Å; W315-P323 HydrophobicContact CZ2-CG 3.72Å; W315-L326 HydrophobicContact CD2-CD1 3.34Å; W315-L326 HydrophobicContact CE3-CD1 3.44Å; W315-L326 VanDerWaalsContact CE3-CD1 3.44Å; W315-L326 HydrophobicContact CG-CD1 4.03Å; W315-L326 HydrophobicContact CH2-CD1 3.7Å; W315-L326 HydrophobicContact CZ2-CD1 3.56Å; W315-L326 HydrophobicContact CZ3-CD1 3.64Å; W315-L329 HydrophobicContact CB-CD2 4.15Å; W315-L329 HydrophobicContact CD2-CD2 4.35Å; W315-L329 HydrophobicContact CG-CD2 3.74Å; W315-F331 PolarHBondContact N-O 2.88Å; W315-T332 HydrophobicContact CB-CG2 4.31Å; W315-T332 CarbonylContact O-C 3.39Å; W315-T332 WeakPolarHBondContact O-CA 3.2Å; W315-A333 PolarHBondContact O-N 2.85Å
316	D	98.3	Very high	98.3	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.193	24%	0.238	C	C	.	.			trans	-113	97.9	168.4	-170.9	-37.4	0	0	0	108.9	Q318 L319 L320 A333	D316-Q318 VanDerWaalsContact C-N 3.27Å; D316-Q318 PolarHBondContact O-N 3.42Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.24Å; D316-Q318 PolarHBondContact OD1-N 2.77Å; D316-L319 HydrophobicContact CB-CB 4.31Å; D316-L319 PolarHBondContact O-N 2.98Å; D316-L319 PolarHBondContact OD1-N 2.99Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.46Å; D316-L320 VanDerWaalsContact O-CB 3.3Å; D316-L320 WeakPolarHBondContact O-CB 3.15Å; D316-L320 PolarHBondContact O-N 3.03Å; D316-A333 HydrophobicContact CB-CB 4.12Å
317	Q	97.3	Very high	98.2	Very high	72 Å²	72	46.7 Å²	46.7	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-68.3	-29.2	-178.3	-168.5	-176.8	13.4	0	0	112.2	G321 L329	Q317-G321 VanDerWaalsContact O-CA 3.29Å; Q317-G321 WeakPolarHBondContact O-CA 3.38Å; Q317-G321 PolarHBondContact O-N 2.93Å; Q317-L329 HydrophobicContact CB-CD1 4.34Å; Q317-L329 HydrophobicContact CG-CD1 4.12Å
318	Q	96.4	Very high	98.2	Very high	144 Å²	144	47.6 Å²	47.6	67%	0.673	25%	0.249	S	C	*	.	H	α-helix	trans	-68.6	-41	-179.3	-177.4	178.7	5.7	0	0	110.7	D316	D316-Q318 VanDerWaalsContact C-N 3.27Å; D316-Q318 PolarHBondContact O-N 3.42Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.24Å; D316-Q318 PolarHBondContact OD1-N 2.77Å
319	L	96.3	Very high	98.2	Very high	134 Å²	134	48 Å²	48	70%	0.702	25%	0.251	S	S	*	.	H	α-helix	trans	-86.1	-33.5	-178.6	-64.8	-178.7	0	0	0	113.4	D316	D316-L319 HydrophobicContact CB-CB 4.31Å; D316-L319 PolarHBondContact O-N 2.98Å; D316-L319 PolarHBondContact OD1-N 2.99Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.46Å
320	L	97.9	Very high	98.2	Very high	69 Å²	69	48 Å²	48	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-117.5	-0.5	-166.8	-55.2	170.8	0	0	0	113.7	P224 W315 D316	P224-L320 HydrophobicContact CB-CD1 3.59Å; P224-L320 HydrophobicContact CG-CD1 4.08Å; W315-L320 HydrophobicContact CE3-CD1 4.42Å; W315-L320 HydrophobicContact CH2-CB 3.88Å; W315-L320 HydrophobicContact CH2-CD1 3.92Å; W315-L320 HydrophobicContact CZ2-CB 3.31Å; W315-L320 HydrophobicContact CZ2-CD1 4.05Å; W315-L320 HydrophobicContact CZ2-CG 4.32Å; W315-L320 HydrophobicContact CZ3-CD1 4.12Å; D316-L320 VanDerWaalsContact O-CB 3.3Å; D316-L320 WeakPolarHBondContact O-CB 3.15Å; D316-L320 PolarHBondContact O-N 3.03Å
321	G	98.1	Very high	98.2	Very high	33 Å²	33	48 Å²	48	34%	0.34	25%	0.251	S	S	.	.			trans	64.6	-148.9	-177.5	0	0	0	0	0	112.4	W315 Q317	W315-G321 PolarHBondContact NE1-O 3.42Å; Q317-G321 VanDerWaalsContact O-CA 3.29Å; Q317-G321 WeakPolarHBondContact O-CA 3.38Å; Q317-G321 PolarHBondContact O-N 2.93Å
322	W	98.4	Very high	98.2	Very high	145 Å²	145	48 Å²	48	55%	0.549	25%	0.251	S	S	.	.			trans	-133.2	86.1	174.4	-168.6	-16.9	0	0	0	109.9	L326 L329	W322-L326 PolarHBondContact NE1-O 3.27Å; W322-L329 HydrophobicContact CB-CD1 4.35Å; W322-L329 HydrophobicContact CD2-CD1 3.58Å; W322-L329 HydrophobicContact CD2-CG 3.86Å; W322-L329 HydrophobicContact CE3-CD1 3.77Å; W322-L329 HydrophobicContact CE3-CG 4.34Å; W322-L329 HydrophobicContact CG-CD1 3.86Å; W322-L329 HydrophobicContact CG-CD2 4.42Å; W322-L329 HydrophobicContact CG-CG 4.19Å; W322-L329 HydrophobicContact CZ2-CG 4.05Å; W322-L329 HydrophobicContact CZ3-CD1 4.3Å
323	P	98.2	Very high	98.2	Very high	40 Å²	40	48.7 Å²	48.7	26%	0.26	26%	0.257	S	S	.	.			trans	-70.8	148.6	-179.1	27	-32.2	0	0	0	111.6	W315 V325 L326	W315-P323 HydrophobicContact CH2-CG 3.94Å; W315-P323 VanDerWaalsContact CZ2-CD 3.46Å; W315-P323 HydrophobicContact CZ2-CG 3.72Å; P323-V325 HydrophobicContact CB-CG1 4.23Å; P323-V325 HydrophobicContact CG-CG1 4.19Å; P323-V325 PolarHBondContact O-N 3.31Å; P323-L326 HydrophobicContact CG-CD1 4.02Å; P323-L326 HydrophobicContact CG-CG 4.05Å; P323-L326 PolarHBondContact O-N 3.02Å
324	A	98.2	Very high	98.1	Very high	103 Å²	103	49.8 Å²	49.8	85%	0.851	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.2	-174.4	0	0	0	0	0	114.8	L326	A324-L326 PolarHBondContact O-N 2.89Å
325	V	98.4	Very high	97.9	Very high	31 Å²	31	53.6 Å²	53.6	19%	0.188	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.1	175.8	70.5	0	0	0	0	112.6	R71 V74 W86 Y227 P323	R71-V325 PolarHBondContact NH2-O 3.09Å; V74-V325 HydrophobicContact CG1-CG2 3.22Å; W86-V325 HydrophobicContact CH2-CG2 4.39Å; W86-V325 HydrophobicContact CZ3-CG2 4.33Å; Y227-V325 HydrophobicContact CE2-CG1 4.23Å; P323-V325 HydrophobicContact CB-CG1 4.23Å; P323-V325 HydrophobicContact CG-CG1 4.19Å; P323-V325 PolarHBondContact O-N 3.31Å
326	L	98.7	Very high	97.7	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.299	C	S	.	.			trans	-90.8	104.4	176.4	-53.4	-176	0	0	0	109	W86 P311 E312 W315 W322 P323 A324 K328 L329	W86-L326 HydrophobicContact CH2-CD2 4.35Å; W86-L326 HydrophobicContact CZ3-CD2 3.74Å; P311-L326 HydrophobicContact CB-CD2 4.22Å; E312-L326 HydrophobicContact CG-CD2 4.07Å; W315-L326 HydrophobicContact CD2-CD1 3.34Å; W315-L326 HydrophobicContact CE3-CD1 3.44Å; W315-L326 VanDerWaalsContact CE3-CD1 3.44Å; W315-L326 HydrophobicContact CG-CD1 4.03Å; W315-L326 HydrophobicContact CH2-CD1 3.7Å; W315-L326 HydrophobicContact CZ2-CD1 3.56Å; W315-L326 HydrophobicContact CZ3-CD1 3.64Å; W322-L326 PolarHBondContact NE1-O 3.27Å; P323-L326 HydrophobicContact CG-CD1 4.02Å; P323-L326 HydrophobicContact CG-CG 4.05Å; P323-L326 PolarHBondContact O-N 3.02Å; A324-L326 PolarHBondContact O-N 2.89Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3.49Å; L326-L329 HydrophobicContact CB-CD2 4.08Å; L326-L329 HydrophobicContact CD1-CD2 3.54Å; L326-L329 HydrophobicContact CG-CD2 4.46Å
327	R	98.7	Very high	97.5	Very high	130 Å²	130	59.3 Å²	59.3	49%	0.491	32%	0.317	S	S	.	.	S	Bend	trans	-75.1	-23.1	176.3	-63.1	-178.3	178.2	-179.1	-0.5	112	R71 E87	R71-R327 VanDerWaalsContact CD-CZ 3.49Å; E87-R327 HydrophobicContact CB-CB 3.88Å; E87-R327 HydrophobicContact CG-CB 3.96Å
328	K	98.8	Very high	97	Very high	50 Å²	50	60.2 Å²	60.2	22%	0.217	32%	0.321	C	S	.	.			trans	-139.8	147.8	178.9	-68	-176.4	167.7	-121.2	0	110.8	E87 D208 E312 L326 R330	E87-K328 HydrophobicContact CB-CD 4.48Å; E87-K328 HydrophobicContact CG-CD 4.05Å; E87-K328 HydrophobicContact CG-CG 4.23Å; E87-K328 WeakPolarHBondContact OE2-CD 3.37Å; D208-K328 IonicContact OD1-NZ 3.48Å; D208-K328 PolarHBondContact OD1-NZ 2.83Å; D208-K328 WeakPolarHBondContact OD2-CD 3.49Å; D208-K328 WeakPolarHBondContact OD2-CE 3.3Å; D208-K328 WeakPolarHBondContact OD2-CG 3.5Å; D208-K328 IonicContact OD2-NZ 3.81Å; D208-K328 PolarHBondContact OD2-NZ 3.11Å; E312-K328 WeakPolarHBondContact CB-O 3.49Å; E312-K328 WeakPolarHBondContact CG-O 3.39Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3.49Å; K328-R330 HydrophobicContact CB-CG 4.09Å
329	L	98.8	Very high	96.5	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	32%	0.319	C	S	.	.			trans	-112.2	101.6	166.2	-57.6	-175.7	0	0	0	107	R207 W315 Q317 W322 L326 T332	R207-L329 WeakPolarHBondContact CB-O 3.49Å; W315-L329 HydrophobicContact CB-CD2 4.15Å; W315-L329 HydrophobicContact CD2-CD2 4.35Å; W315-L329 HydrophobicContact CG-CD2 3.74Å; Q317-L329 HydrophobicContact CB-CD1 4.34Å; Q317-L329 HydrophobicContact CG-CD1 4.12Å; W322-L329 HydrophobicContact CB-CD1 4.35Å; W322-L329 HydrophobicContact CD2-CD1 3.58Å; W322-L329 HydrophobicContact CD2-CG 3.86Å; W322-L329 HydrophobicContact CE3-CD1 3.77Å; W322-L329 HydrophobicContact CE3-CG 4.34Å; W322-L329 HydrophobicContact CG-CD1 3.86Å; W322-L329 HydrophobicContact CG-CD2 4.42Å; W322-L329 HydrophobicContact CG-CG 4.19Å; W322-L329 HydrophobicContact CZ2-CG 4.05Å; W322-L329 HydrophobicContact CZ3-CD1 4.3Å; L326-L329 HydrophobicContact CB-CD2 4.08Å; L326-L329 HydrophobicContact CD1-CD2 3.54Å; L326-L329 HydrophobicContact CG-CD2 4.46Å; L329-T332 HydrophobicContact CB-CG2 3.92Å
330	R	98.8	Very high	96.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.			trans	-91.7	-39	-166.7	-52.7	168.6	-176.6	-81.5	-0.4	112.4	E87 F206 R207 D208 H209 V210 E312 Y313 K328	E87-R330 IonicContact OE2-CZ 2.63Å; E87-R330 IonicContact OE2-NH1 2.65Å; E87-R330 IonicContact OE2-NH2 3.79Å; E87-R330 PolarHBondContact OE2-NH2 3Å; F206-R330 CarbonylContact C-O 3.58Å; F206-R330 WeakPolarHBondContact CA-O 3.43Å; R207-R330 PolarHBondContact N-O 2.84Å; D208-R330 HydrophobicContact CB-CB 4.42Å; D208-R330 HydrophobicContact CB-CG 4.28Å; D208-R330 PolarHBondContact N-O 2.69Å; H209-R330 WeakPolarHBondContact O-CD 3.5Å; H209-R330 PolarHBondContact O-NH1 2.93Å; V210-R330 HydrophobicContact CG2-CB 3.68Å; E312-R330 HydrophobicContact CB-CG 4.28Å; E312-R330 WeakPolarHBondContact O-CA 3.26Å; E312-R330 VanDerWaalsContact O-CB 3.23Å; E312-R330 WeakPolarHBondContact O-CB 3.29Å; E312-R330 WeakPolarHBondContact O-CG 3.39Å; E312-R330 PolarHBondContact O-N 2.94Å; E312-R330 IonicContact OE2-CZ 2.7Å; E312-R330 IonicContact OE2-NE 3.52Å; E312-R330 PolarHBondContact OE2-NE 3.19Å; E312-R330 VanDerWaalsContact OE2-NE 3.11Å; E312-R330 IonicContact OE2-NH2 2.87Å; E312-R330 PolarHBondContact OE2-NH2 2.73Å; Y313-R330 VanDerWaalsContact CE1-CD 3.44Å; Y313-R330 VanDerWaalsContact CZ-CD 3.43Å; K328-R330 HydrophobicContact CB-CG 4.09Å
331	F	98.8	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.5	-178.9	-178.3	-118.7	0	0	0	108.7	F123 V200 M204 E205 F206 F259 Y313 L314 W315	F123-F331 HydrophobicContact CD2-CE2 4.28Å; F123-F331 AromaticContact CE2-CE2 3.95Å; F123-F331 HydrophobicContact CE2-CE2 3.95Å; F123-F331 AromaticContact CE2-CZ 3.98Å; F123-F331 HydrophobicContact CE2-CZ 3.98Å; V200-F331 HydrophobicContact CB-CE1 4.2Å; V200-F331 HydrophobicContact CB-CZ 4.06Å; V200-F331 HydrophobicContact CG1-CE1 4.27Å; V200-F331 HydrophobicContact CG1-CZ 4.42Å; V200-F331 HydrophobicContact CG2-CZ 4.36Å; M204-F331 HydrophobicContact CB-CD1 4.34Å; M204-F331 HydrophobicContact CB-CD2 4.02Å; M204-F331 HydrophobicContact CB-CE1 3.65Å; M204-F331 HydrophobicContact CB-CE2 3.27Å; M204-F331 HydrophobicContact CB-CZ 3.07Å; M204-F331 HydrophobicContact CG-CD1 4.4Å; M204-F331 HydrophobicContact CG-CE1 3.58Å; M204-F331 HydrophobicContact CG-CE2 4.16Å; M204-F331 HydrophobicContact CG-CZ 3.46Å; M204-F331 VanDerWaalsContact CG-CZ 3.46Å; M204-F331 HydrophobicContact SD-CE1 4.37Å; E205-F331 CarbonylContact O-C 3.54Å; E205-F331 WeakPolarHBondContact O-CA 3.46Å; E205-F331 WeakPolarHBondContact O-CD2 3.36Å; F206-F331 HydrophobicContact CD1-CB 4.32Å; F206-F331 AromaticContact CD1-CD2 3.64Å; F206-F331 HydrophobicContact CD1-CD2 3.64Å; F206-F331 HydrophobicContact CD1-CE2 4.3Å; F206-F331 HydrophobicContact CD1-CG 4.33Å; F206-F331 AromaticContact CD2-CD2 3.87Å; F206-F331 HydrophobicContact CD2-CD2 3.87Å; F206-F331 AromaticContact CD2-CE2 3.89Å; F206-F331 HydrophobicContact CD2-CE2 3.89Å; F206-F331 AromaticContact CE1-CD2 3.63Å; F206-F331 HydrophobicContact CE1-CD2 3.63Å; F206-F331 AromaticContact CE1-CE2 3.97Å; F206-F331 HydrophobicContact CE1-CE2 3.97Å; F206-F331 HydrophobicContact CE1-CG 4.24Å; F206-F331 AromaticContact CE2-CD2 3.86Å; F206-F331 HydrophobicContact CE2-CD2 3.86Å; F206-F331 AromaticContact CE2-CE2 3.52Å; F206-F331 HydrophobicContact CE2-CE2 3.52Å; F206-F331 AromaticContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CE2 4.26Å; F206-F331 AromaticContact CZ-CD2 3.74Å; F206-F331 HydrophobicContact CZ-CD2 3.74Å; F206-F331 AromaticContact CZ-CE2 3.57Å; F206-F331 HydrophobicContact CZ-CE2 3.57Å; F206-F331 HydrophobicContact CZ-CZ 4.34Å; F259-F331 AromaticContact CD2-CD1 3.77Å; F259-F331 HydrophobicContact CD2-CD1 3.77Å; F259-F331 HydrophobicContact CD2-CE1 4.11Å; F259-F331 HydrophobicContact CE2-CD1 4.09Å; Y313-F331 WeakPolarHBondContact O-CB 3.29Å; Y313-F331 WeakPolarHBondContact O-CD1 3.23Å; L314-F331 VanDerWaalsContact CA-O 3.29Å; L314-F331 WeakPolarHBondContact CA-O 3.23Å; L314-F331 HydrophobicContact CG-CD1 4.36Å; W315-F331 PolarHBondContact N-O 2.88Å
332	T	98.6	Very high	95.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.3	-164.7	57.2	0	0	0	0	113.3	M204 E205 R207 W315 L329	M204-T332 CarbonylContact C-O 3.56Å; M204-T332 VanDerWaalsContact CA-O 3.27Å; M204-T332 WeakPolarHBondContact CA-O 3.21Å; E205-T332 WeakPolarHBondContact CG-OG1 3.37Å; E205-T332 PolarHBondContact N-O 2.87Å; E205-T332 PolarHBondContact O-N 3.09Å; R207-T332 VanDerWaalsContact CD-OG1 3.3Å; R207-T332 WeakPolarHBondContact CD-OG1 3.43Å; R207-T332 PolarHBondContact NE-OG1 2.7Å; R207-T332 VanDerWaalsContact NE-OG1 3.09Å; W315-T332 HydrophobicContact CB-CG2 4.31Å; W315-T332 CarbonylContact O-C 3.39Å; W315-T332 WeakPolarHBondContact O-CA 3.2Å; L329-T332 HydrophobicContact CB-CG2 3.92Å
333	A	98.2	Very high	94.5	Very high	15 Å²	15	51.3 Å²	51.3	12%	0.124	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	133.7	176.3	0	0	0	0	0	112.3	M204 W315 D316	M204-A333 WeakPolarHBondContact SD-CA 3.34Å; M204-A333 HydrophobicContact SD-CB 3.99Å; W315-A333 PolarHBondContact O-N 2.85Å; D316-A333 HydrophobicContact CB-CB 4.12Å
334	V	97.2	Very high	93.5	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-84.4	128.8	168.6	178.1	0	0	0	0	108.2	F119 L122 D203 E205 K336	F119-V334 HydrophobicContact CD1-CB 4.35Å; F119-V334 HydrophobicContact CD1-CG1 4.14Å; F119-V334 HydrophobicContact CE1-CB 4.37Å; F119-V334 HydrophobicContact CE1-CG1 4.02Å; L122-V334 HydrophobicContact CD2-CG2 3.82Å; D203-V334 PolarHBondContact O-N 3.34Å; E205-V334 HydrophobicContact CB-CG2 4.14Å; E205-V334 HydrophobicContact CG-CG2 4.24Å; V334-K336 PolarHBondContact O-N 3.01Å
335	P	93.6	Very high	93.2	Very high	87 Å²	87	55.4 Å²	55.4	57%	0.565	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-55.5	132.3	176.7	-27.6	35.7	0	0	0	111.8
336	K	93.5	Very high	92.9	Very high	53 Å²	53	56.7 Å²	56.7	23%	0.23	30%	0.302	C	S	.	.			trans	-151.1	149.3	-177.2	60.4	-176.7	172.4	-85.2	0	111.1	F119 D203 V334 H338	F119-K336 HydrophobicContact CE1-CB 4.47Å; F119-K336 HydrophobicContact CZ-CB 4.04Å; F119-K336 HydrophobicContact CZ-CD 4.3Å; D203-K336 HydrophobicContact CB-CD 4.03Å; D203-K336 WeakPolarHBondContact OD2-CD 3.3Å; D203-K336 WeakPolarHBondContact OD2-CE 3.47Å; D203-K336 IonicContact OD2-NZ 3.73Å; D203-K336 PolarHBondContact OD2-NZ 3.29Å; V334-K336 PolarHBondContact O-N 3.01Å; K336-H338 WeakPolarHBondContact CE-NE2 3.25Å
337	N	94	Very high	92.6	Very high	105 Å²	105	59.7 Å²	59.7	56%	0.561	32%	0.318	S	S	*	.			trans	-89.1	108.3	167.4	-177.1	-46.6	0	0	0	109.1	Q339 A340 V341	N337-Q339 VanDerWaalsContact C-N 3.3Å; N337-Q339 PolarHBondContact O-N 3.22Å; N337-Q339 PolarHBondContact OD1-N 3.31Å; N337-A340 HydrophobicContact CB-CB 3.99Å; N337-A340 PolarHBondContact O-N 2.8Å; N337-A340 PolarHBondContact OD1-N 3.08Å; N337-V341 WeakPolarHBondContact O-CG1 3.44Å; N337-V341 PolarHBondContact O-N 3.29Å
338	H	86.4	Confident	92.3	Very high	91 Å²	91	55.6 Å²	55.6	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-55.4	-41.9	-177.5	-72.2	103.7	0	0	0	113.2	K336 R342	K336-H338 WeakPolarHBondContact CE-NE2 3.25Å; H338-R342 PolarHBondContact CD2-NH2 2.87Å; H338-R342 VanDerWaalsContact CD2-NH2 3.35Å; H338-R342 WeakPolarHBondContact O-CB 3.39Å; H338-R342 WeakPolarHBondContact O-CD 3.49Å; H338-R342 WeakPolarHBondContact O-CG 3.44Å; H338-R342 PolarHBondContact O-N 3.35Å; H338-R342 VanDerWaalsContact O-N 3.17Å
339	Q	86.5	Confident	91.9	Very high	136 Å²	136	55.9 Å²	55.9	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-67.1	-43.1	-179.3	-177.4	60.5	21.3	0	0	111.3	N337 N343	N337-Q339 VanDerWaalsContact C-N 3.3Å; N337-Q339 PolarHBondContact O-N 3.22Å; N337-Q339 PolarHBondContact OD1-N 3.31Å; Q339-N343 VanDerWaalsContact CD-ND2 3.34Å; Q339-N343 PolarHBondContact NE2-ND2 3.36Å; Q339-N343 VanDerWaalsContact NE2-ND2 3.14Å; Q339-N343 PolarHBondContact O-N 3.23Å; Q339-N343 PolarHBondContact O-ND2 2.65Å; Q339-N343 PolarHBondContact OE1-ND2 2.79Å
340	A	89.8	Confident	91.4	Very high	56 Å²	56	59.1 Å²	59.1	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-71.7	-38	-177.5	0	0	0	0	0	113.2	K115 N337 N343	K115-A340 WeakPolarHBondContact CD-O 3.49Å; K115-A340 PolarHBondContact NZ-O 3.39Å; K115-A340 VanDerWaalsContact NZ-O 3.15Å; N337-A340 HydrophobicContact CB-CB 3.99Å; N337-A340 PolarHBondContact O-N 2.8Å; N337-A340 PolarHBondContact OD1-N 3.08Å; A340-N343 VanDerWaalsContact O-O 3.11Å
341	V	90.5	Very high	90.9	Very high	19 Å²	19	63.4 Å²	63.4	12%	0.115	36%	0.355	C	S	.	.	H	α-helix	trans	-81.6	-28	-176.3	76.9	0	0	0	0	112.9	K115 Y116 F119 N337	K115-V341 HydrophobicContact CB-CG2 4.14Å; Y116-V341 HydrophobicContact CD2-CG2 4.13Å; Y116-V341 HydrophobicContact CE2-CG1 4.11Å; Y116-V341 HydrophobicContact CE2-CG2 3.91Å; F119-V341 HydrophobicContact CE2-CG2 3.85Å; F119-V341 HydrophobicContact CZ-CG2 4.16Å; N337-V341 WeakPolarHBondContact O-CG1 3.44Å; N337-V341 PolarHBondContact O-N 3.29Å
342	R	89.4	Confident	90.3	Very high	64 Å²	64	68.2 Å²	68.2	24%	0.242	38%	0.382	C	S	.	.	H	α-helix	trans	-86	-16.9	-177.9	-69.7	172.5	172.7	170.9	-1	113.9	Y116 W171 H338	Y116-R342 HydrophobicContact CE2-CG 4.41Å; Y116-R342 WeakPolarHBondContact OH-CG 3.47Å; W171-R342 HydrophobicContact CB-CB 4Å; W171-R342 HydrophobicContact CB-CG 3.88Å; W171-R342 HydrophobicContact CG-CB 4.17Å; W171-R342 HydrophobicContact CG-CG 4Å; H338-R342 PolarHBondContact CD2-NH2 2.87Å; H338-R342 VanDerWaalsContact CD2-NH2 3.35Å; H338-R342 WeakPolarHBondContact O-CB 3.39Å; H338-R342 WeakPolarHBondContact O-CD 3.49Å; H338-R342 WeakPolarHBondContact O-CG 3.44Å; H338-R342 PolarHBondContact O-N 3.35Å; H338-R342 VanDerWaalsContact O-N 3.17Å
343	N	80.4	Confident	89.6	Confident	64 Å²	64	73.8 Å²	73.8	34%	0.342	41%	0.414	S	S	.	.			trans	-121.1	152	-175.4	-59.1	-71.5	0	0	0	111.3	K115 Q339 A340	K115-N343 VanDerWaalsContact CE-O 3.24Å; K115-N343 WeakPolarHBondContact CE-O 3.22Å; K115-N343 PolarHBondContact NZ-O 2.63Å; Q339-N343 VanDerWaalsContact CD-ND2 3.34Å; Q339-N343 PolarHBondContact NE2-ND2 3.36Å; Q339-N343 VanDerWaalsContact NE2-ND2 3.14Å; Q339-N343 PolarHBondContact O-N 3.23Å; Q339-N343 PolarHBondContact O-ND2 2.65Å; Q339-N343 PolarHBondContact OE1-ND2 2.79Å; A340-N343 VanDerWaalsContact O-O 3.11Å
344	P	75.3	Confident	88.8	Confident	173 Å²	173	79.2 Å²	79.2	100%	1.123	44%	0.44	S	S	*	.			trans	-52.1	0	175.2	-26.8	36.2	0	0	0	114.2	K115	K115-P344 VanDerWaalsContact CE-OXT 3.29Å; K115-P344 WeakPolarHBondContact CE-OXT 3.41Å; K115-P344 PolarHBondContact NZ-OXT 2.89Å

Retrieved 344 of 344 residues in 1558.2 ms (Link to these results)

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