A0A077ZIZ5_TRITR Loading...

Poly(U) specific endoribonuclease

AlphaFold DB , UniProt , Accession A0A077ZIZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.6	Low	67.8	Low	222 Å²	222	114.9 Å²	114.9	100%	1.094	62%	0.621	S	S	*	*				0	-36.1	0	-74.2	176.4	71.8	0	0	114.7	L3	M1-L3 PolarHBondContact O-N 3.22Å
2	R	65.6	Low	67.6	Low	232 Å²	232	116.6 Å²	116.6	88%	0.875	62%	0.619	S	S	*	*	H	α-helix	trans	-66.1	-33.7	-176.7	-68.8	-174.4	178.6	-175.5	-0.6	115.4
3	L	60.7	Low	67.6	Low	150 Å²	150	112.6 Å²	112.6	79%	0.785	60%	0.602	S	S	*	*	H	α-helix	trans	-68.9	-38.1	-178.4	-139.2	82.1	0	0	0	113.1	M1 A5 V6 V7	M1-L3 PolarHBondContact O-N 3.22Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.35Å; L3-V6 PolarHBondContact O-N 2.83Å; L3-V7 WeakPolarHBondContact O-CG2 3.32Å; L3-V7 PolarHBondContact O-N 2.99Å
4	A	66.1	Low	67.1	Low	62 Å²	62	110.1 Å²	110.1	51%	0.512	60%	0.596	S	S	.	*	H	α-helix	trans	-65.8	-36.3	-179.1	0	0	0	0	0	112.5	V7 L8	A4-V7 PolarHBondContact O-N 3.23Å; A4-L8 PolarHBondContact O-N 2.79Å; A4-L8 VanDerWaalsContact O-N 3.08Å
5	A	64	Low	66.7	Low	63 Å²	63	109 Å²	109	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-37.1	177.2	0	0	0	0	0	112.5	L3 C9	L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.35Å; A5-C9 WeakPolarHBondContact O-CB 3.31Å; A5-C9 PolarHBondContact O-N 2.65Å
6	V	68.9	Low	65.8	Low	89 Å²	89	112.4 Å²	112.4	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-67.7	-42.7	177.5	178	0	0	0	0	111	L3 C9 L10	L3-V6 PolarHBondContact O-N 2.83Å; V6-C9 PolarHBondContact O-N 2.88Å; V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 WeakPolarHBondContact O-CG 3.33Å; V6-L10 PolarHBondContact O-N 3.05Å
7	V	73.7	Confident	64.5	Low	78 Å²	78	113.1 Å²	113.1	47%	0.473	59%	0.589	S	S	.	*	H	α-helix	trans	-64.6	-43.8	178.4	176.8	0	0	0	0	111.3	L3 A4 C9 L10 I11	L3-V7 WeakPolarHBondContact O-CG2 3.32Å; L3-V7 PolarHBondContact O-N 2.99Å; A4-V7 PolarHBondContact O-N 3.23Å; V7-C9 VanDerWaalsContact C-N 3.34Å; V7-C9 PolarHBondContact O-N 3.31Å; V7-L10 PolarHBondContact O-N 3.47Å; V7-I11 HydrophobicContact CG1-CD1 4Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 2.9Å
8	L	74.2	Confident	63.3	Low	96 Å²	96	115.8 Å²	115.8	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-60.6	-42.6	174.9	-100.5	143.9	0	0	0	111.9	A4 L10 I11 F12	A4-L8 PolarHBondContact O-N 2.79Å; A4-L8 VanDerWaalsContact O-N 3.08Å; L8-L10 PolarHBondContact O-N 2.77Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-F12 HydrophobicContact CD2-CD2 4.26Å; L8-F12 HydrophobicContact CD2-CE2 3.67Å; L8-F12 VanDerWaalsContact O-CD2 3.22Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 PolarHBondContact O-N 3.5Å
9	C	74.8	Confident	62.2	Low	78 Å²	78	116.3 Å²	116.3	53%	0.527	59%	0.594	S	S	.	*	H	α-helix	trans	-62.2	-43.5	177.7	-156.1	0	0	0	0	111.7	A5 V6 V7 I11 F12 V13	A5-C9 WeakPolarHBondContact O-CB 3.31Å; A5-C9 PolarHBondContact O-N 2.65Å; V6-C9 PolarHBondContact O-N 2.88Å; V7-C9 VanDerWaalsContact C-N 3.34Å; V7-C9 PolarHBondContact O-N 3.31Å; C9-I11 VanDerWaalsContact C-N 3.34Å; C9-I11 PolarHBondContact O-N 2.99Å; C9-F12 PolarHBondContact O-N 3.05Å; C9-V13 WeakPolarHBondContact O-CB 3.48Å; C9-V13 VanDerWaalsContact O-CG2 3.24Å; C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.34Å
10	L	65.7	Low	61.1	Low	108 Å²	108	113.3 Å²	113.3	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-63.5	-37.6	176	-70.8	171.1	0	0	0	112.5	V6 V7 L8 V13 C14	V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 WeakPolarHBondContact O-CG 3.33Å; V6-L10 PolarHBondContact O-N 3.05Å; V7-L10 PolarHBondContact O-N 3.47Å; L8-L10 PolarHBondContact O-N 2.77Å; L10-V13 PolarHBondContact O-N 2.88Å; L10-C14 WeakPolarHBondContact O-CB 3.34Å; L10-C14 PolarHBondContact O-N 3.08Å; L10-C14 PolarHBondContact O-SG 2.85Å
11	I	73.3	Confident	60.1	Low	86 Å²	86	113.8 Å²	113.8	44%	0.441	58%	0.581	S	S	.	*	H	α-helix	trans	-65.7	-45.6	176.1	-67.7	166.3	0	0	0	110.6	V7 L8 C9 V13 C14 I15	V7-I11 HydrophobicContact CG1-CD1 4Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; V7-I11 PolarHBondContact O-N 2.9Å; L8-I11 PolarHBondContact O-N 2.95Å; C9-I11 VanDerWaalsContact C-N 3.34Å; C9-I11 PolarHBondContact O-N 2.99Å; I11-V13 PolarHBondContact O-N 3.13Å; I11-C14 PolarHBondContact O-N 3.37Å; I11-I15 HydrophobicContact CG2-CD1 3.64Å; I11-I15 HydrophobicContact CG2-CG1 4.32Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.44Å
12	F	66.1	Low	59.1	Low	135 Å²	135	110.2 Å²	110.2	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-64.2	-39.8	177.2	-82.9	-69.2	0	0	0	112.4	L8 C9 I15 Y16	L8-F12 HydrophobicContact CD2-CD2 4.26Å; L8-F12 HydrophobicContact CD2-CE2 3.67Å; L8-F12 VanDerWaalsContact O-CD2 3.22Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 PolarHBondContact O-N 3.5Å; C9-F12 PolarHBondContact O-N 3.05Å; F12-I15 PolarHBondContact O-N 2.97Å; F12-Y16 VanDerWaalsContact O-CB 3.23Å; F12-Y16 WeakPolarHBondContact O-CB 3.07Å; F12-Y16 PolarHBondContact O-N 2.89Å
13	V	66.9	Low	57.9	Low	65 Å²	65	107.5 Å²	107.5	39%	0.394	56%	0.556	S	S	.	*	H	α-helix	trans	-61.3	-47.7	173.3	171.4	0	0	0	0	110	C9 L10 I11 I15 Y16 F17	C9-V13 WeakPolarHBondContact O-CB 3.48Å; C9-V13 VanDerWaalsContact O-CG2 3.24Å; C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.34Å; L10-V13 PolarHBondContact O-N 2.88Å; I11-V13 PolarHBondContact O-N 3.13Å; V13-I15 PolarHBondContact O-N 2.97Å; V13-Y16 PolarHBondContact O-N 3.36Å; V13-F17 HydrophobicContact CG1-CD2 3.5Å; V13-F17 VanDerWaalsContact CG1-CD2 3.5Å; V13-F17 HydrophobicContact CG1-CE2 3.6Å; V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 VanDerWaalsContact O-CD2 3.25Å; V13-F17 WeakPolarHBondContact O-CD2 3.43Å; V13-F17 PolarHBondContact O-N 2.77Å
14	C	60.6	Low	56.8	Low	78 Å²	78	106.4 Å²	106.4	53%	0.527	55%	0.552	S	S	.	*	H	α-helix	trans	-62.2	-39.7	177	-76.3	0	0	0	0	113.4	L10 I11 K18	L10-C14 WeakPolarHBondContact O-CB 3.34Å; L10-C14 PolarHBondContact O-N 3.08Å; L10-C14 PolarHBondContact O-SG 2.85Å; I11-C14 PolarHBondContact O-N 3.37Å; C14-K18 WeakPolarHBondContact O-CB 3.13Å; C14-K18 WeakPolarHBondContact O-CG 3.21Å; C14-K18 PolarHBondContact O-N 2.76Å
15	I	62.1	Low	55.3	Low	93 Å²	93	110.1 Å²	110.1	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-69.1	-44.1	177	-67.1	167.9	0	0	0	110.2	I11 F12 V13 K18 H19	I11-I15 HydrophobicContact CG2-CD1 3.64Å; I11-I15 HydrophobicContact CG2-CG1 4.32Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.27Å; I11-I15 PolarHBondContact O-N 3.44Å; F12-I15 PolarHBondContact O-N 2.97Å; V13-I15 PolarHBondContact O-N 2.97Å; I15-K18 PolarHBondContact O-N 3.05Å; I15-H19 WeakPolarHBondContact O-CB 3.39Å; I15-H19 PolarHBondContact O-N 3.38Å
16	Y	52.4	Low	54.1	Low	164 Å²	164	111 Å²	111	64%	0.643	56%	0.557	S	S	*	*	H	α-helix	trans	-62.6	-46	177.2	-172.2	-96.3	0	0	0	111.3	F12 V13 K18 H19 V20	F12-Y16 VanDerWaalsContact O-CB 3.23Å; F12-Y16 WeakPolarHBondContact O-CB 3.07Å; F12-Y16 PolarHBondContact O-N 2.89Å; V13-Y16 PolarHBondContact O-N 3.36Å; Y16-K18 PolarHBondContact O-N 2.84Å; Y16-H19 PolarHBondContact O-N 2.7Å; Y16-V20 HydrophobicContact CD1-CG2 3.97Å; Y16-V20 HydrophobicContact CE1-CG2 3.63Å; Y16-V20 HydrophobicContact CE2-CG2 4.33Å; Y16-V20 HydrophobicContact CG-CG2 4.45Å; Y16-V20 WeakPolarHBondContact O-CB 3.27Å; Y16-V20 VanDerWaalsContact O-CG2 3.31Å; Y16-V20 WeakPolarHBondContact O-CG2 3.44Å; Y16-V20 PolarHBondContact O-N 3.44Å
17	F	43.1	Very low	52.6	Low	124 Å²	124	113 Å²	113	54%	0.544	57%	0.565	S	S	.	*	H	α-helix	trans	-63.1	-40.1	174.8	-88.8	-74.8	0	0	0	112.3	V13 H19 H21	V13-F17 HydrophobicContact CG1-CD2 3.5Å; V13-F17 VanDerWaalsContact CG1-CD2 3.5Å; V13-F17 HydrophobicContact CG1-CE2 3.6Å; V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 VanDerWaalsContact O-CD2 3.25Å; V13-F17 WeakPolarHBondContact O-CD2 3.43Å; V13-F17 PolarHBondContact O-N 2.77Å; F17-H19 VanDerWaalsContact C-N 3.35Å; F17-H21 WeakPolarHBondContact O-CB 3.34Å; F17-H21 PolarHBondContact O-N 2.61Å
18	K	42.3	Very low	50.9	Low	161 Å²	161	117.2 Å²	117.2	70%	0.7	58%	0.579	S	S	*	*	H	α-helix	trans	-60.5	-44.6	172.1	-85.7	-174.5	175.6	-175	0	111.5	C14 I15 Y16 H21 Q22	C14-K18 WeakPolarHBondContact O-CB 3.13Å; C14-K18 WeakPolarHBondContact O-CG 3.21Å; C14-K18 PolarHBondContact O-N 2.76Å; I15-K18 PolarHBondContact O-N 3.05Å; Y16-K18 PolarHBondContact O-N 2.84Å; K18-H21 PolarHBondContact O-N 3.04Å; K18-Q22 WeakPolarHBondContact O-CB 3.48Å; K18-Q22 PolarHBondContact O-N 3.4Å
19	H	42.1	Very low	49.2	Very low	125 Å²	125	114.4 Å²	114.4	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-73.1	-36.6	-175.1	-142.7	-27.9	0	0	0	112.7	I15 Y16 F17 Q22 K23	I15-H19 WeakPolarHBondContact O-CB 3.39Å; I15-H19 PolarHBondContact O-N 3.38Å; Y16-H19 PolarHBondContact O-N 2.7Å; F17-H19 VanDerWaalsContact C-N 3.35Å; H19-Q22 PolarHBondContact O-N 2.9Å; H19-K23 PolarHBondContact O-N 3.33Å; H19-K23 VanDerWaalsContact O-N 3.16Å
20	V	41.8	Very low	47.6	Very low	57 Å²	57	118.8 Å²	118.8	35%	0.345	59%	0.585	S	S	.	*	H	α-helix	trans	-67.7	-41.4	173	172.3	0	0	0	0	110.7	Y16 Q22 K23 N24	Y16-V20 HydrophobicContact CD1-CG2 3.97Å; Y16-V20 HydrophobicContact CE1-CG2 3.63Å; Y16-V20 HydrophobicContact CE2-CG2 4.33Å; Y16-V20 HydrophobicContact CG-CG2 4.45Å; Y16-V20 WeakPolarHBondContact O-CB 3.27Å; Y16-V20 VanDerWaalsContact O-CG2 3.31Å; Y16-V20 WeakPolarHBondContact O-CG2 3.44Å; Y16-V20 PolarHBondContact O-N 3.44Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 2.94Å; V20-K23 PolarHBondContact O-N 3.44Å; V20-N24 PolarHBondContact O-N 3.24Å
21	H	39	Very low	46.6	Very low	123 Å²	123	117.7 Å²	117.7	57%	0.569	57%	0.574	S	S	*	*	H	α-helix	trans	-66.5	-35.2	174.1	-95.4	-70.2	0	0	0	112.9	F17 K18 K23 N24 Q25	F17-H21 WeakPolarHBondContact O-CB 3.34Å; F17-H21 PolarHBondContact O-N 2.61Å; K18-H21 PolarHBondContact O-N 3.04Å; H21-K23 VanDerWaalsContact C-N 3.31Å; H21-K23 PolarHBondContact O-N 3.37Å; H21-N24 PolarHBondContact O-N 2.95Å; H21-Q25 WeakPolarHBondContact O-CG 3.34Å; H21-Q25 PolarHBondContact O-N 2.94Å
22	Q	38	Very low	45.1	Very low	147 Å²	147	120.3 Å²	120.3	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-67.3	-31.9	176.9	-127.5	175.2	-12.2	0	0	112.4	K18 H19 V20 N24	K18-Q22 WeakPolarHBondContact O-CB 3.48Å; K18-Q22 PolarHBondContact O-N 3.4Å; H19-Q22 PolarHBondContact O-N 2.9Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 2.94Å; Q22-N24 VanDerWaalsContact C-N 3.3Å; Q22-N24 PolarHBondContact O-N 3.05Å
23	K	39.8	Very low	44.3	Very low	175 Å²	175	116.4 Å²	116.4	76%	0.761	57%	0.572	S	S	*	*	H	α-helix	trans	-76.2	-16.5	177.9	-127.2	-177.4	-178.7	-170	0	113.8	H19 V20 H21	H19-K23 PolarHBondContact O-N 3.33Å; H19-K23 VanDerWaalsContact O-N 3.16Å; V20-K23 PolarHBondContact O-N 3.44Å; H21-K23 VanDerWaalsContact C-N 3.31Å; H21-K23 PolarHBondContact O-N 3.37Å
24	N	38.3	Very low	43.4	Very low	128 Å²	128	117.6 Å²	117.6	68%	0.684	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	8.3	178.9	-73	-9.6	0	0	0	113.7	V20 H21 Q22 V26	V20-N24 PolarHBondContact O-N 3.24Å; H21-N24 PolarHBondContact O-N 2.95Å; Q22-N24 VanDerWaalsContact C-N 3.3Å; Q22-N24 PolarHBondContact O-N 3.05Å; N24-V26 VanDerWaalsContact C-N 3.31Å; N24-V26 PolarHBondContact O-N 3.06Å; N24-V26 VanDerWaalsContact O-N 3.14Å
25	Q	33.8	Very low	42.5	Very low	140 Å²	140	121.3 Å²	121.3	65%	0.654	60%	0.604	S	S	*	*			trans	-84	82.1	168.7	-64.6	-117.4	-48.5	0	0	108.2	H21 D27	H21-Q25 WeakPolarHBondContact O-CG 3.34Å; H21-Q25 PolarHBondContact O-N 2.94Å; Q25-D27 PolarHBondContact O-N 3.3Å
26	V	40.5	Very low	42	Very low	80 Å²	80	118.2 Å²	118.2	49%	0.485	59%	0.588	S	S	.	*			trans	-59.3	120.9	152	177.7	0	0	0	0	105.3	N24 F167	N24-V26 VanDerWaalsContact C-N 3.31Å; N24-V26 PolarHBondContact O-N 3.06Å; N24-V26 VanDerWaalsContact O-N 3.14Å; V26-F167 HydrophobicContact CG2-CE1 4.39Å
27	D	37	Very low	42	Very low	132 Å²	132	113.5 Å²	113.5	71%	0.706	57%	0.574	S	S	*	*			trans	-39.8	136.8	-173.5	-68	-53.2	0	0	0	112.1	Q25 P29	Q25-D27 PolarHBondContact O-N 3.3Å; D27-P29 VanDerWaalsContact O-CD 3.31Å; D27-P29 WeakPolarHBondContact O-CD 3.41Å; D27-P29 VanDerWaalsContact O-N 3.13Å
28	E	37.5	Very low	42.8	Very low	167 Å²	167	109.6 Å²	109.6	78%	0.78	56%	0.557	S	S	*	*			trans	-53.4	117	167.9	-173.2	166.5	-153.8	0	0	108	D30	E28-D30 PolarHBondContact O-N 2.81Å; E28-D30 VanDerWaalsContact O-N 3.14Å
29	P	39.1	Very low	43.5	Very low	37 Å²	37	108.1 Å²	108.1	24%	0.24	56%	0.556	C	S	.	*			trans	-64.6	123	177.4	25	-32	0	0	0	108.1	D27 Y31 T168	D27-P29 VanDerWaalsContact O-CD 3.31Å; D27-P29 WeakPolarHBondContact O-CD 3.41Å; D27-P29 VanDerWaalsContact O-N 3.13Å; P29-Y31 PolarHBondContact O-N 3Å; P29-T168 HydrophobicContact CG-CG2 4.2Å
30	D	41.1	Very low	45.2	Very low	170 Å²	170	109.8 Å²	109.8	91%	0.909	56%	0.561	S	S	*	*			trans	-68.2	50.2	175.9	-173	26.4	0	0	0	111.9	E28	E28-D30 PolarHBondContact O-N 2.81Å; E28-D30 VanDerWaalsContact O-N 3.14Å
31	Y	44.2	Very low	47.5	Very low	84 Å²	84	107.6 Å²	107.6	33%	0.329	55%	0.548	S	S	.	.			trans	-120.5	92.4	-179.1	-157.6	-89.1	0	0	0	110.1	P29 E33 L36 D153 L154	P29-Y31 PolarHBondContact O-N 3Å; Y31-E33 PolarHBondContact O-N 3.13Å; Y31-E33 VanDerWaalsContact O-N 3.17Å; Y31-L36 HydrophobicContact CE1-CD1 3.84Å; Y31-L36 HydrophobicContact CE1-CD2 3.78Å; Y31-L36 HydrophobicContact CE1-CG 3.89Å; Y31-L36 WeakPolarHBondContact OH-CD2 3.49Å; Y31-D153 PolarHBondContact OH-O 2.71Å; Y31-L154 WeakPolarHBondContact OH-CA 3.35Å
32	D	42.1	Very low	50	Low	141 Å²	141	109.2 Å²	109.2	75%	0.754	55%	0.549	S	S	*	.			trans	-69.3	105.9	175	-152.3	-16.6	0	0	0	109.7	A34	D32-A34 PolarHBondContact O-N 3.4Å
33	E	49.2	Very low	52.6	Low	54 Å²	54	104.9 Å²	104.9	25%	0.252	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-74.8	-11	-171.5	-154.6	-176.1	-179.7	0	0	113	Y31 D35 L36 R268 K288	Y31-E33 PolarHBondContact O-N 3.13Å; Y31-E33 VanDerWaalsContact O-N 3.17Å; E33-D35 PolarHBondContact O-N 3.11Å; E33-L36 HydrophobicContact CG-CD1 3.93Å; E33-L36 PolarHBondContact O-N 3.21Å; E33-R268 IonicContact OE1-CZ 3.68Å; E33-R268 IonicContact OE1-NH1 2.72Å; E33-R268 PolarHBondContact OE1-NH1 2.92Å; E33-K288 IonicContact OE1-NZ 2.66Å; E33-K288 PolarHBondContact OE1-NZ 3.07Å; E33-K288 IonicContact OE2-NZ 3.75Å; E33-K288 PolarHBondContact OE2-NZ 3.01Å
34	A	47.5	Very low	55.1	Low	90 Å²	90	99.7 Å²	99.7	74%	0.744	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.3	-169.6	0	0	0	0	0	114.4	D32	D32-A34 PolarHBondContact O-N 3.4Å
35	D	41.1	Very low	57.9	Low	156 Å²	156	95.7 Å²	95.7	83%	0.834	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-119.5	17.5	-175.3	-107.5	-15	0	0	0	114.8	E33 D37	E33-D35 PolarHBondContact O-N 3.11Å; D35-D37 VanDerWaalsContact C-N 3.29Å; D35-D37 PolarHBondContact O-N 3.19Å
36	L	52.3	Low	60.8	Low	27 Å²	27	89 Å²	89	14%	0.141	46%	0.462	C	S	.	.			trans	-69.4	87.1	173.1	-75.2	-174	0	0	0	111.3	Y31 E33 F38 L154	Y31-L36 HydrophobicContact CE1-CD1 3.84Å; Y31-L36 HydrophobicContact CE1-CD2 3.78Å; Y31-L36 HydrophobicContact CE1-CG 3.89Å; Y31-L36 WeakPolarHBondContact OH-CD2 3.49Å; E33-L36 HydrophobicContact CG-CD1 3.93Å; E33-L36 PolarHBondContact O-N 3.21Å; L36-F38 HydrophobicContact CB-CD2 4.04Å; L36-F38 HydrophobicContact CB-CE1 4.2Å; L36-F38 HydrophobicContact CB-CE2 3.62Å; L36-F38 HydrophobicContact CB-CZ 3.75Å; L36-F38 HydrophobicContact CD1-CE1 3.92Å; L36-F38 HydrophobicContact CD1-CE2 4.04Å; L36-F38 HydrophobicContact CD1-CZ 3.4Å; L36-F38 HydrophobicContact CG-CZ 4.21Å; L36-F38 WeakPolarHBondContact O-CD2 3.32Å; L36-F38 PolarHBondContact O-N 3.48Å; L36-L154 HydrophobicContact CD2-CD2 3.22Å
37	D	53.2	Low	63.5	Low	66 Å²	66	86.7 Å²	86.7	35%	0.353	45%	0.451	S	S	.	.			trans	-72.5	66.6	173.6	-168.8	8.6	0	0	0	111.1	D35 L39 K40	D35-D37 VanDerWaalsContact C-N 3.29Å; D35-D37 PolarHBondContact O-N 3.19Å; D37-L39 PolarHBondContact O-N 3.02Å; D37-L39 VanDerWaalsContact OD1-CB 3.3Å; D37-L39 WeakPolarHBondContact OD1-CB 3.3Å; D37-L39 PolarHBondContact OD1-N 3.1Å; D37-K40 PolarHBondContact O-N 3.41Å; D37-K40 WeakPolarHBondContact OD2-CD 3.45Å; D37-K40 WeakPolarHBondContact OD2-CE 3.39Å; D37-K40 WeakPolarHBondContact OD2-CG 3.18Å; D37-K40 IonicContact OD2-NZ 2.78Å; D37-K40 PolarHBondContact OD2-NZ 3.1Å
38	F	58.3	Low	66.4	Low	41 Å²	41	85 Å²	85	18%	0.18	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-54.2	-13.9	173.8	-62	-66.3	0	0	0	112.8	L36 K40 L265 T266	L36-F38 HydrophobicContact CB-CD2 4.04Å; L36-F38 HydrophobicContact CB-CE1 4.2Å; L36-F38 HydrophobicContact CB-CE2 3.62Å; L36-F38 HydrophobicContact CB-CZ 3.75Å; L36-F38 HydrophobicContact CD1-CE1 3.92Å; L36-F38 HydrophobicContact CD1-CE2 4.04Å; L36-F38 HydrophobicContact CD1-CZ 3.4Å; L36-F38 HydrophobicContact CG-CZ 4.21Å; L36-F38 WeakPolarHBondContact O-CD2 3.32Å; L36-F38 PolarHBondContact O-N 3.48Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 2.85Å; F38-L265 WeakPolarHBondContact CE1-O 3.23Å; F38-T266 VanDerWaalsContact CD1-C 3.46Å; F38-T266 WeakPolarHBondContact CD1-O 3.45Å
39	L	58.4	Low	69.3	Low	131 Å²	131	77.9 Å²	77.9	69%	0.686	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-72.3	-20.5	-178.8	-65.4	162.5	0	0	0	113.1	D37	D37-L39 PolarHBondContact O-N 3.02Å; D37-L39 VanDerWaalsContact OD1-CB 3.3Å; D37-L39 WeakPolarHBondContact OD1-CB 3.3Å; D37-L39 PolarHBondContact OD1-N 3.1Å
40	K	77.8	Confident	72.1	Confident	160 Å²	160	76.1 Å²	76.1	70%	0.696	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-80.8	-16.9	-175.8	-75.9	175.9	176.3	133.2	0	114.7	D37 F38 R42	D37-K40 PolarHBondContact O-N 3.41Å; D37-K40 WeakPolarHBondContact OD2-CD 3.45Å; D37-K40 WeakPolarHBondContact OD2-CE 3.39Å; D37-K40 WeakPolarHBondContact OD2-CG 3.18Å; D37-K40 IonicContact OD2-NZ 2.78Å; D37-K40 PolarHBondContact OD2-NZ 3.1Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 2.85Å; K40-R42 PolarHBondContact O-N 3.37Å
41	I	90.4	Very high	74.8	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.056	39%	0.391	C	S	.	.			trans	-86.5	114.2	-176.5	-58.8	173.4	0	0	0	111	I46 F148 L154 T266 K267	I41-I46 HydrophobicContact CG2-CD1 3.76Å; I41-I46 HydrophobicContact CG2-CG1 3.67Å; I41-F148 HydrophobicContact CG2-CE1 4.28Å; I41-F148 HydrophobicContact CG2-CZ 3.91Å; I41-L154 HydrophobicContact CD1-CD1 3.42Å; I41-L154 VanDerWaalsContact CD1-CD1 3.42Å; I41-T266 HydrophobicContact CD1-CG2 3.68Å; I41-K267 WeakPolarHBondContact O-CE 3.26Å; I41-K267 PolarHBondContact O-NZ 2.85Å
42	R	91.4	Very high	77.4	Confident	157 Å²	157	75.3 Å²	75.3	59%	0.592	40%	0.396	S	S	*	.			trans	-72.2	144.9	175.3	-61.7	178.7	-64.7	165.2	1.8	111.4	K40 S44 E45 I46	K40-R42 PolarHBondContact O-N 3.37Å; R42-S44 PolarHBondContact O-N 3.37Å; R42-E45 HydrophobicContact CB-CG 4.29Å; R42-E45 WeakPolarHBondContact CB-OE2 3.46Å; R42-E45 IonicContact CZ-OE2 3.15Å; R42-E45 IonicContact NE-OE2 2.96Å; R42-E45 PolarHBondContact NE-OE2 2.75Å; R42-E45 IonicContact NH2-OE2 3.63Å; R42-E45 PolarHBondContact NH2-OE2 2.63Å; R42-E45 WeakPolarHBondContact O-CB 3.32Å; R42-E45 PolarHBondContact O-N 3.1Å; R42-E45 VanDerWaalsContact O-N 3.09Å; R42-I46 PolarHBondContact O-N 3.36Å
43	D	90.8	Very high	80.1	Confident	56 Å²	56	68.6 Å²	68.6	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-57.7	-33.2	174.3	-73.6	-15.9	0	0	0	112.1	E45 I46 A47 K267 R274	D43-E45 VanDerWaalsContact C-N 3.3Å; D43-E45 PolarHBondContact O-N 2.97Å; D43-I46 PolarHBondContact O-N 3.36Å; D43-A47 VanDerWaalsContact O-CB 3.28Å; D43-A47 WeakPolarHBondContact O-CB 3.31Å; D43-A47 PolarHBondContact O-N 3Å; D43-K267 IonicContact OD1-NZ 2.62Å; D43-K267 PolarHBondContact OD1-NZ 2.82Å; D43-R274 HydrophobicContact CB-CB 4.37Å; D43-R274 WeakPolarHBondContact OD2-CD 3.16Å
44	S	94.3	Very high	82.4	Confident	66 Å²	66	67.2 Å²	67.2	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-31.7	177.8	54.9	0	0	0	0	113.5	R42 T48	R42-S44 PolarHBondContact O-N 3.37Å; S44-T48 WeakPolarHBondContact O-CB 3.46Å; S44-T48 PolarHBondContact O-N 3.26Å; S44-T48 PolarHBondContact O-OG1 2.91Å
45	E	95.7	Very high	84.8	Confident	44 Å²	44	69.5 Å²	69.5	21%	0.206	35%	0.347	C	S	.	.	H	α-helix	trans	-71.2	-46.7	176.4	-69.9	174.4	69	0	0	110.4	R42 D43 A47 T48 T49 F148 R152	R42-E45 HydrophobicContact CB-CG 4.29Å; R42-E45 WeakPolarHBondContact CB-OE2 3.46Å; R42-E45 IonicContact CZ-OE2 3.15Å; R42-E45 IonicContact NE-OE2 2.96Å; R42-E45 PolarHBondContact NE-OE2 2.75Å; R42-E45 IonicContact NH2-OE2 3.63Å; R42-E45 PolarHBondContact NH2-OE2 2.63Å; R42-E45 WeakPolarHBondContact O-CB 3.32Å; R42-E45 PolarHBondContact O-N 3.1Å; R42-E45 VanDerWaalsContact O-N 3.09Å; D43-E45 VanDerWaalsContact C-N 3.3Å; D43-E45 PolarHBondContact O-N 2.97Å; E45-A47 PolarHBondContact O-N 3.11Å; E45-T48 PolarHBondContact O-N 3.33Å; E45-T49 PolarHBondContact O-N 3.27Å; E45-T49 PolarHBondContact O-OG1 3.42Å; E45-T49 VanDerWaalsContact O-OG1 3.06Å; E45-F148 HydrophobicContact CB-CE2 3.93Å; E45-F148 HydrophobicContact CB-CZ 4.03Å; E45-R152 IonicContact OE1-CZ 3.22Å; E45-R152 IonicContact OE1-NE 3.78Å; E45-R152 IonicContact OE1-NH2 2.72Å; E45-R152 PolarHBondContact OE1-NH2 3Å
46	I	95.8	Very high	87.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-48	173.4	-68.2	172	0	0	0	110.3	I41 R42 D43 T48 T49 V50 F148 L262 K267 C273	I41-I46 HydrophobicContact CG2-CD1 3.76Å; I41-I46 HydrophobicContact CG2-CG1 3.67Å; R42-I46 PolarHBondContact O-N 3.36Å; D43-I46 PolarHBondContact O-N 3.36Å; I46-T48 VanDerWaalsContact C-N 3.29Å; I46-T48 PolarHBondContact O-N 3.17Å; I46-T49 PolarHBondContact O-N 3.38Å; I46-V50 HydrophobicContact CG2-CG2 4.14Å; I46-V50 WeakPolarHBondContact O-CG2 3.3Å; I46-V50 PolarHBondContact O-N 2.67Å; I46-F148 HydrophobicContact CG1-CE1 4.17Å; I46-F148 HydrophobicContact CG1-CZ 4.11Å; I46-L262 HydrophobicContact CG1-CD2 4.33Å; I46-L262 HydrophobicContact CG2-CD2 3.95Å; I46-K267 HydrophobicContact CD1-CD 3.63Å; I46-K267 HydrophobicContact CD1-CG 3.96Å; I46-C273 HydrophobicContact CG2-CB 4.48Å
47	A	96.7	Very high	89.7	Confident	31 Å²	31	63.9 Å²	63.9	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-38.3	-179.9	0	0	0	0	0	112.5	D43 E45 K51 F275	D43-A47 VanDerWaalsContact O-CB 3.28Å; D43-A47 WeakPolarHBondContact O-CB 3.31Å; D43-A47 PolarHBondContact O-N 3Å; E45-A47 PolarHBondContact O-N 3.11Å; A47-K51 VanDerWaalsContact O-CB 3.3Å; A47-K51 WeakPolarHBondContact O-CB 3.41Å; A47-K51 PolarHBondContact O-N 3.3Å; A47-F275 HydrophobicContact CB-CB 4.31Å
48	T	97.8	Very high	91.8	Very high	97 Å²	97	65.5 Å²	65.5	60%	0.595	33%	0.334	S	S	*	.	H	α-helix	trans	-66	-45.3	176.1	-59.1	0	0	0	0	111.2	S44 E45 I46 K51 L52	S44-T48 WeakPolarHBondContact O-CB 3.46Å; S44-T48 PolarHBondContact O-N 3.26Å; S44-T48 PolarHBondContact O-OG1 2.91Å; E45-T48 PolarHBondContact O-N 3.33Å; I46-T48 VanDerWaalsContact C-N 3.29Å; I46-T48 PolarHBondContact O-N 3.17Å; T48-K51 PolarHBondContact O-N 2.84Å; T48-L52 PolarHBondContact O-N 3.49Å; T48-L52 VanDerWaalsContact O-N 3.1Å
49	T	98.4	Very high	93.6	Very high	16 Å²	16	65.1 Å²	65.1	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-48.6	176.7	-57.4	0	0	0	0	111.5	E45 I46 K51 L52 M53 I144 F148 L262	E45-T49 PolarHBondContact O-N 3.27Å; E45-T49 PolarHBondContact O-OG1 3.42Å; E45-T49 VanDerWaalsContact O-OG1 3.06Å; I46-T49 PolarHBondContact O-N 3.38Å; T49-K51 VanDerWaalsContact C-N 3.31Å; T49-K51 PolarHBondContact O-N 3.37Å; T49-L52 WeakPolarHBondContact O-CB 3.18Å; T49-L52 PolarHBondContact O-N 2.98Å; T49-L52 VanDerWaalsContact O-N 3.1Å; T49-M53 HydrophobicContact CG2-SD 4.07Å; T49-M53 VanDerWaalsContact O-CG 3.31Å; T49-M53 WeakPolarHBondContact O-CG 3.24Å; T49-M53 PolarHBondContact O-N 2.77Å; T49-I144 HydrophobicContact CG2-CG2 3.86Å; T49-F148 HydrophobicContact CG2-CB 3.74Å; T49-F148 HydrophobicContact CG2-CD1 4.5Å; T49-F148 HydrophobicContact CG2-CD2 4.11Å; T49-F148 HydrophobicContact CG2-CG 3.87Å; T49-F148 WeakPolarHBondContact OG1-CD2 3.4Å; T49-F148 VanDerWaalsContact OG1-CE2 3.28Å; T49-F148 WeakPolarHBondContact OG1-CE2 3.5Å; T49-L262 HydrophobicContact CG2-CD1 3.7Å
50	V	98.3	Very high	95.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-37	179.1	175.7	0	0	0	0	111.5	I46 L52 M53 R54 F255 L259 F275 L277	I46-V50 HydrophobicContact CG2-CG2 4.14Å; I46-V50 WeakPolarHBondContact O-CG2 3.3Å; I46-V50 PolarHBondContact O-N 2.67Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.84Å; V50-M53 HydrophobicContact CG2-SD 4.38Å; V50-M53 PolarHBondContact O-N 3.12Å; V50-R54 VanDerWaalsContact O-CB 3.31Å; V50-R54 WeakPolarHBondContact O-CB 3.24Å; V50-R54 PolarHBondContact O-N 3.34Å; V50-F255 HydrophobicContact CG1-CE2 4.44Å; V50-F255 HydrophobicContact CG1-CZ 4.06Å; V50-L259 HydrophobicContact CG1-CD1 4.08Å; V50-L259 HydrophobicContact CG2-CD1 3.6Å; V50-F275 HydrophobicContact CB-CB 4.13Å; V50-F275 HydrophobicContact CB-CD2 4.46Å; V50-F275 HydrophobicContact CB-CG 4.34Å; V50-F275 HydrophobicContact CG1-CB 4.15Å; V50-F275 HydrophobicContact CG1-CD2 3.57Å; V50-F275 HydrophobicContact CG1-CE2 4.11Å; V50-F275 HydrophobicContact CG1-CG 3.89Å; V50-F275 HydrophobicContact CG2-CB 4.38Å; V50-F275 HydrophobicContact CG2-CG 4.42Å; V50-L277 HydrophobicContact CG1-CD2 4.41Å
51	K	98	Very high	96.4	Very high	155 Å²	155	56 Å²	56	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-61.4	-41.3	173.8	-176.1	178.1	179.4	-178.9	0	111.9	A47 T48 T49 R54 H55	A47-K51 VanDerWaalsContact O-CB 3.3Å; A47-K51 WeakPolarHBondContact O-CB 3.41Å; A47-K51 PolarHBondContact O-N 3.3Å; T48-K51 PolarHBondContact O-N 2.84Å; T49-K51 VanDerWaalsContact C-N 3.31Å; T49-K51 PolarHBondContact O-N 3.37Å; K51-R54 PolarHBondContact O-N 2.61Å; K51-H55 WeakPolarHBondContact O-CB 3.37Å; K51-H55 PolarHBondContact O-N 2.53Å
52	L	98.4	Very high	96.6	Very high	83 Å²	83	63.2 Å²	63.2	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-43.6	176.5	-176	60.2	0	0	0	111.7	T48 T49 V50 R54 H55 L56 I144	T48-L52 PolarHBondContact O-N 3.49Å; T48-L52 VanDerWaalsContact O-N 3.1Å; T49-L52 WeakPolarHBondContact O-CB 3.18Å; T49-L52 PolarHBondContact O-N 2.98Å; T49-L52 VanDerWaalsContact O-N 3.1Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.12Å; L52-H55 PolarHBondContact O-N 3.36Å; L52-L56 HydrophobicContact CD1-CD1 3.88Å; L52-L56 HydrophobicContact CD1-CG 4.46Å; L52-L56 HydrophobicContact CG-CD1 4.27Å; L52-L56 PolarHBondContact O-N 3.22Å; L52-L56 VanDerWaalsContact O-N 3.07Å; L52-I144 HydrophobicContact CB-CG2 4.35Å; L52-I144 HydrophobicContact CD2-CD1 4.46Å; L52-I144 HydrophobicContact CD2-CG1 4.33Å; L52-I144 HydrophobicContact CD2-CG2 4.01Å; L52-I144 HydrophobicContact CG-CD1 4.02Å; L52-I144 HydrophobicContact CG-CG1 4.42Å; L52-I144 HydrophobicContact CG-CG2 4.23Å
53	M	98.7	Very high	96.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-55.2	-47.5	172.7	-66.2	164.3	60.1	0	0	111	T49 V50 H55 L56 D57 P141 I144 A145 F255 S258 L259 L262	T49-M53 HydrophobicContact CG2-SD 4.07Å; T49-M53 VanDerWaalsContact O-CG 3.31Å; T49-M53 WeakPolarHBondContact O-CG 3.24Å; T49-M53 PolarHBondContact O-N 2.77Å; V50-M53 HydrophobicContact CG2-SD 4.38Å; V50-M53 PolarHBondContact O-N 3.12Å; M53-H55 VanDerWaalsContact C-N 3.31Å; M53-H55 PolarHBondContact O-N 3.2Å; M53-L56 CarbonylContact O-C 3.55Å; M53-L56 PolarHBondContact O-N 3.4Å; M53-D57 WeakPolarHBondContact O-CB 3.38Å; M53-D57 PolarHBondContact O-N 2.82Å; M53-P141 HydrophobicContact CB-CB 4.3Å; M53-I144 HydrophobicContact CG-CB 3.93Å; M53-I144 HydrophobicContact CG-CG2 3.66Å; M53-A145 HydrophobicContact CE-CB 4.02Å; M53-A145 HydrophobicContact SD-CB 3.94Å; M53-F255 HydrophobicContact CB-CD2 4.19Å; M53-F255 HydrophobicContact CB-CE2 3.99Å; M53-S258 VanDerWaalsContact CE-CB 3.45Å; M53-L259 HydrophobicContact CE-CB 4.25Å; M53-L262 HydrophobicContact SD-CD1 4.16Å
54	R	97.7	Very high	96.9	Very high	25 Å²	25	63.3 Å²	63.3	9%	0.094	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-34	179.8	-179.7	58.3	177.2	173.2	-4.4	112.4	V50 K51 L52 L56 D57 R60 F255 L277 E278	V50-R54 VanDerWaalsContact O-CB 3.31Å; V50-R54 WeakPolarHBondContact O-CB 3.24Å; V50-R54 PolarHBondContact O-N 3.34Å; K51-R54 PolarHBondContact O-N 2.61Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.12Å; R54-L56 VanDerWaalsContact C-N 3.35Å; R54-D57 IonicContact NH1-OD2 2.88Å; R54-R60 VanDerWaalsContact NE-NH1 3.12Å; R54-R60 PolarHBondContact O-NH1 3.04Å; R54-F255 HydrophobicContact CB-CE2 3.71Å; R54-F255 HydrophobicContact CB-CZ 4.21Å; R54-L277 HydrophobicContact CB-CD2 4.42Å; R54-L277 HydrophobicContact CG-CD2 4.13Å; R54-E278 IonicContact CZ-OE1 3.47Å; R54-E278 IonicContact NE-OE1 2.67Å; R54-E278 PolarHBondContact NE-OE1 3.27Å; R54-E278 IonicContact NH2-OE1 3.99Å
55	H	97.7	Very high	97	Very high	138 Å²	138	61.4 Å²	61.4	64%	0.639	32%	0.318	S	S	*	.	H	α-helix	trans	-69	-34.9	176.5	-177.2	65.3	0	0	0	112.2	K51 L52 M53	K51-H55 WeakPolarHBondContact O-CB 3.37Å; K51-H55 PolarHBondContact O-N 2.53Å; L52-H55 PolarHBondContact O-N 3.36Å; M53-H55 VanDerWaalsContact C-N 3.31Å; M53-H55 PolarHBondContact O-N 3.2Å
56	L	98.2	Very high	97.1	Very high	64 Å²	64	60 Å²	60	34%	0.335	31%	0.312	S	S	.	.	S	Bend	trans	-101.5	12	-177.8	-64.8	172.9	0	0	0	113.8	L52 M53 R54 S58 N140 I144	L52-L56 HydrophobicContact CD1-CD1 3.88Å; L52-L56 HydrophobicContact CD1-CG 4.46Å; L52-L56 HydrophobicContact CG-CD1 4.27Å; L52-L56 PolarHBondContact O-N 3.22Å; L52-L56 VanDerWaalsContact O-N 3.07Å; M53-L56 CarbonylContact O-C 3.55Å; M53-L56 PolarHBondContact O-N 3.4Å; R54-L56 VanDerWaalsContact C-N 3.35Å; L56-S58 VanDerWaalsContact C-N 3.32Å; L56-S58 PolarHBondContact O-N 3.4Å; L56-N140 HydrophobicContact CB-CB 3.93Å; L56-I144 HydrophobicContact CB-CD1 4.07Å; L56-I144 HydrophobicContact CD1-CD1 3.63Å; L56-I144 HydrophobicContact CG-CD1 4.41Å
57	D	98.1	Very high	97.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	33%	0.33	C	S	.	.			trans	-77	80.5	170.6	-179.8	10.1	0	0	0	109.5	M53 R54 S59 R60 P141 S252 F255	M53-D57 WeakPolarHBondContact O-CB 3.38Å; M53-D57 PolarHBondContact O-N 2.82Å; R54-D57 IonicContact NH1-OD2 2.88Å; D57-S59 VanDerWaalsContact C-N 3.3Å; D57-S59 PolarHBondContact O-N 3.49Å; D57-R60 HydrophobicContact CB-CB 4.47Å; D57-R60 VanDerWaalsContact O-CD 3.3Å; D57-R60 WeakPolarHBondContact O-CD 3.44Å; D57-R60 WeakPolarHBondContact O-CG 3.24Å; D57-R60 PolarHBondContact OD1-N 2.83Å; D57-R60 WeakPolarHBondContact OD2-CB 3.46Å; D57-P141 HydrophobicContact CB-CG 4.15Å; D57-S252 VanDerWaalsContact CG-OG 3.28Å; D57-S252 WeakPolarHBondContact OD1-CB 3.48Å; D57-S252 PolarHBondContact OD1-OG 2.66Å; D57-F255 HydrophobicContact CB-CB 4.36Å; D57-F255 HydrophobicContact CB-CD2 4.18Å; D57-F255 VanDerWaalsContact OD2-CB 3.26Å; D57-F255 WeakPolarHBondContact OD2-CB 3.3Å
58	S	96.7	Very high	97.2	Very high	100 Å²	100	63.1 Å²	63.1	70%	0.699	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.4	-173.5	51.4	0	0	0	0	114	L56	L56-S58 VanDerWaalsContact C-N 3.32Å; L56-S58 PolarHBondContact O-N 3.4Å
59	S	97.6	Very high	97.2	Very high	33 Å²	33	60.8 Å²	60.8	23%	0.231	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.6	-176.1	-44	0	0	0	0	113.1	D57 Y101 E254	D57-S59 VanDerWaalsContact C-N 3.3Å; D57-S59 PolarHBondContact O-N 3.49Å; S59-Y101 WeakPolarHBondContact O-CE2 3.29Å; S59-Y101 PolarHBondContact O-OH 3.04Å; S59-E254 WeakPolarHBondContact CB-OE1 3.33Å; S59-E254 PolarHBondContact OG-OE1 3.21Å
60	R	97	Very high	97.2	Very high	85 Å²	85	61.3 Å²	61.3	32%	0.321	31%	0.311	S	S	.	.	S	Bend	trans	-60.7	154.8	177.5	75	-172.4	174.1	163.4	3.9	112.9	R54 D57 G250	R54-R60 VanDerWaalsContact NE-NH1 3.12Å; R54-R60 PolarHBondContact O-NH1 3.04Å; D57-R60 HydrophobicContact CB-CB 4.47Å; D57-R60 VanDerWaalsContact O-CD 3.3Å; D57-R60 WeakPolarHBondContact O-CD 3.44Å; D57-R60 WeakPolarHBondContact O-CG 3.24Å; D57-R60 PolarHBondContact OD1-N 2.83Å; D57-R60 WeakPolarHBondContact OD2-CB 3.46Å; R60-G250 WeakPolarHBondContact CB-O 3.09Å
61	A	97	Very high	97.2	Very high	14 Å²	14	63.9 Å²	63.9	12%	0.116	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.2	138.6	170.4	0	0	0	0	0	110.7	D65 I66 L95 G250	A61-D65 HydrophobicContact CB-CB 4.05Å; A61-I66 HydrophobicContact CB-CD1 3.64Å; A61-I66 HydrophobicContact CB-CG1 4.03Å; A61-L95 HydrophobicContact CB-CD2 4.48Å; A61-G250 PolarHBondContact N-O 3.49Å
62	K	95.1	Very high	97.2	Very high	162 Å²	162	57.7 Å²	57.7	70%	0.704	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-85.6	165.8	172.6	-60.1	174.3	-177.3	172.7	0	109.9	G64 D65	K62-G64 PolarHBondContact O-N 2.69Å; K62-D65 WeakPolarHBondContact CA-OD2 3.42Å; K62-D65 VanDerWaalsContact CB-OD2 3.31Å; K62-D65 WeakPolarHBondContact CB-OD2 3.47Å; K62-D65 PolarHBondContact N-OD2 3.13Å; K62-D65 WeakPolarHBondContact O-CB 3.35Å; K62-D65 PolarHBondContact O-N 3.33Å
63	K	93.2	Very high	97.2	Very high	183 Å²	183	60.5 Å²	60.5	80%	0.796	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.9	174.6	-173.7	176.2	-177.1	178.6	0	110.1	D65	K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 3.07Å
64	G	93.9	Very high	97.2	Very high	33 Å²	33	60.9 Å²	60.9	34%	0.34	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-1.9	-178.2	0	0	0	0	0	115.5	K62 I66 R90	K62-G64 PolarHBondContact O-N 2.69Å; G64-I66 VanDerWaalsContact C-N 3.27Å; G64-R90 PolarHBondContact O-NH1 3.31Å
65	D	96.8	Very high	97.1	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.134	33%	0.327	C	S	.	.	S	Bend	trans	-70.1	-27.6	171.4	-79.7	-28.8	0	0	0	111.8	A61 K62 K63 V91 N92	A61-D65 HydrophobicContact CB-CB 4.05Å; K62-D65 WeakPolarHBondContact CA-OD2 3.42Å; K62-D65 VanDerWaalsContact CB-OD2 3.31Å; K62-D65 WeakPolarHBondContact CB-OD2 3.47Å; K62-D65 PolarHBondContact N-OD2 3.13Å; K62-D65 WeakPolarHBondContact O-CB 3.35Å; K62-D65 PolarHBondContact O-N 3.33Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 3.07Å; D65-V91 CarbonylContact O-C 3.59Å; D65-V91 WeakPolarHBondContact O-CA 3.41Å; D65-N92 HydrophobicContact CB-CB 3.89Å; D65-N92 PolarHBondContact O-N 2.89Å; D65-N92 VanDerWaalsContact OD1-CB 3.32Å; D65-N92 WeakPolarHBondContact OD1-CB 3.48Å; D65-N92 PolarHBondContact OD1-ND2 2.97Å
66	I	97.8	Very high	96.9	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.072	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.1	179.7	-59.3	173.3	0	0	0	109.1	A61 G64 L68 F88 R90 W205 V249 G250	A61-I66 HydrophobicContact CB-CD1 3.64Å; A61-I66 HydrophobicContact CB-CG1 4.03Å; G64-I66 VanDerWaalsContact C-N 3.27Å; I66-L68 HydrophobicContact CG2-CD2 3.81Å; I66-L68 HydrophobicContact CG2-CG 4.16Å; I66-F88 HydrophobicContact CG2-CD1 4.01Å; I66-F88 HydrophobicContact CG2-CE1 3.93Å; I66-R90 WeakPolarHBondContact CA-O 3.48Å; I66-W205 HydrophobicContact CD1-CD2 4.5Å; I66-W205 HydrophobicContact CD1-CE3 4.24Å; I66-W205 HydrophobicContact CD1-CH2 3.65Å; I66-W205 HydrophobicContact CD1-CZ2 3.94Å; I66-W205 HydrophobicContact CD1-CZ3 3.82Å; I66-W205 HydrophobicContact CG1-CH2 4.43Å; I66-W205 HydrophobicContact CG1-CZ3 4.5Å; I66-V249 HydrophobicContact CD1-CG1 3.94Å; I66-V249 HydrophobicContact CG2-CG1 3.93Å; I66-G250 VanDerWaalsContact CD1-CA 3.48Å
67	V	97.3	Very high	96.7	Very high	65 Å²	65	60.2 Å²	60.2	39%	0.394	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.5	171.7	-177	0	0	0	0	108.4	T89 R90	V67-T89 PolarHBondContact O-N 3.09Å; V67-R90 HydrophobicContact CB-CB 4.09Å; V67-R90 HydrophobicContact CG2-CB 4.18Å; V67-R90 PolarHBondContact N-O 2.83Å; V67-R90 PolarHBondContact O-N 3.23Å
68	L	98.1	Very high	96.5	Very high	32 Å²	32	61.8 Å²	61.8	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.8	178.5	-57.5	179.5	0	0	0	111.2	I66 F70 L87 F88 V249	I66-L68 HydrophobicContact CG2-CD2 3.81Å; I66-L68 HydrophobicContact CG2-CG 4.16Å; L68-F70 HydrophobicContact CB-CD2 4.35Å; L68-F70 HydrophobicContact CB-CE2 4.06Å; L68-F70 HydrophobicContact CB-CZ 4.49Å; L68-F70 HydrophobicContact CD1-CE1 4.44Å; L68-F70 HydrophobicContact CD1-CE2 3.86Å; L68-F70 HydrophobicContact CD1-CZ 3.63Å; L68-L87 CarbonylContact C-O 3.44Å; L68-L87 VanDerWaalsContact CA-O 3.27Å; L68-L87 WeakPolarHBondContact CA-O 3.49Å; L68-L87 HydrophobicContact CB-CD1 4.27Å; L68-L87 HydrophobicContact CD2-CD1 4.47Å; L68-L87 HydrophobicContact CD2-CG 4.21Å; L68-F88 HydrophobicContact CD2-CD1 3.59Å; L68-F88 HydrophobicContact CD2-CD2 4.46Å; L68-F88 HydrophobicContact CD2-CE1 3.53Å; L68-F88 HydrophobicContact CD2-CE2 4.37Å; L68-F88 HydrophobicContact CD2-CG 4.08Å; L68-F88 HydrophobicContact CD2-CZ 3.93Å; L68-V249 HydrophobicContact CD1-CG1 4.14Å; L68-V249 HydrophobicContact CD1-CG2 4.09Å; L68-V249 HydrophobicContact CD2-CG1 4.48Å
69	N	97.9	Very high	96.3	Very high	49 Å²	49	63.9 Å²	63.9	26%	0.262	33%	0.334	S	S	.	.			trans	-114	89	172.2	179.4	25.8	0	0	0	110.1	Q71 L87 T89	N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 VanDerWaalsContact CG-CG 3.49Å; N69-Q71 WeakPolarHBondContact ND2-CG 3.23Å; N69-Q71 PolarHBondContact O-N 2.78Å; N69-Q71 PolarHBondContact O-NE2 2.83Å; N69-Q71 VanDerWaalsContact OD1-CG 3.27Å; N69-Q71 WeakPolarHBondContact OD1-CG 3.37Å; N69-L87 PolarHBondContact N-O 3.37Å; N69-T89 VanDerWaalsContact CB-OG1 3.24Å; N69-T89 WeakPolarHBondContact CB-OG1 3.26Å
70	F	98.1	Very high	96.3	Very high	27 Å²	27	67.2 Å²	67.2	12%	0.118	35%	0.348	C	S	.	.			trans	-68.1	-24.5	-176.6	-76.9	-74	0	0	0	114	L68 G72 L87 Y219 Y222 A225 P227 A231	L68-F70 HydrophobicContact CB-CD2 4.35Å; L68-F70 HydrophobicContact CB-CE2 4.06Å; L68-F70 HydrophobicContact CB-CZ 4.49Å; L68-F70 HydrophobicContact CD1-CE1 4.44Å; L68-F70 HydrophobicContact CD1-CE2 3.86Å; L68-F70 HydrophobicContact CD1-CZ 3.63Å; F70-G72 PolarHBondContact O-N 3Å; F70-L87 HydrophobicContact CD1-CD1 4.05Å; F70-L87 HydrophobicContact CE1-CD1 4.3Å; F70-Y219 PolarHBondContact O-OH 2.72Å; F70-Y222 HydrophobicContact CB-CD1 3.9Å; F70-Y222 HydrophobicContact CB-CE1 4.47Å; F70-Y222 HydrophobicContact CB-CG 4.4Å; F70-Y222 HydrophobicContact CD1-CG 4.3Å; F70-Y222 WeakPolarHBondContact O-CD1 3.3Å; F70-A225 HydrophobicContact CD1-CB 3.69Å; F70-A225 HydrophobicContact CD2-CB 4.07Å; F70-A225 HydrophobicContact CE1-CB 3.66Å; F70-A225 HydrophobicContact CE2-CB 4.06Å; F70-A225 HydrophobicContact CG-CB 3.89Å; F70-A225 HydrophobicContact CZ-CB 3.85Å; F70-P227 HydrophobicContact CE2-CG 4.44Å; F70-A231 HydrophobicContact CE1-CB 3.92Å; F70-A231 HydrophobicContact CZ-CB 4.45Å
71	Q	97.8	Very high	96.3	Very high	54 Å²	54	65.4 Å²	65.4	25%	0.252	35%	0.345	S	S	.	.			trans	53.8	-130.8	178.8	-59.4	167.6	81	0	0	112.4	N69 A83 P84 L85	N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 VanDerWaalsContact CG-CG 3.49Å; N69-Q71 WeakPolarHBondContact ND2-CG 3.23Å; N69-Q71 PolarHBondContact O-N 2.78Å; N69-Q71 PolarHBondContact O-NE2 2.83Å; N69-Q71 VanDerWaalsContact OD1-CG 3.27Å; N69-Q71 WeakPolarHBondContact OD1-CG 3.37Å; Q71-A83 HydrophobicContact CB-CB 3.86Å; Q71-A83 VanDerWaalsContact CD-CA 3.49Å; Q71-A83 HydrophobicContact CG-CB 4.37Å; Q71-P84 VanDerWaalsContact OE1-CD 3.29Å; Q71-P84 VanDerWaalsContact OE1-N 3.15Å; Q71-L85 PolarHBondContact NE2-O 3.48Å
72	G	98	Very high	96.4	Very high	25 Å²	25	70 Å²	70	26%	0.258	36%	0.359	S	S	.	.	S	Bend	trans	-84.4	148.7	-176.4	0	0	0	0	0	114.1	F70 R82 G221 Y222	F70-G72 PolarHBondContact O-N 3Å; G72-R82 WeakPolarHBondContact CA-O 3.45Å; G72-R82 PolarHBondContact N-O 3.28Å; G72-G221 VanDerWaalsContact O-CA 3.3Å; G72-G221 WeakPolarHBondContact O-CA 3.35Å; G72-Y222 VanDerWaalsContact O-CD1 3.26Å; G72-Y222 WeakPolarHBondContact O-CD1 3.36Å; G72-Y222 PolarHBondContact O-N 2.86Å; G72-Y222 VanDerWaalsContact O-N 3.11Å
73	K	98.4	Very high	96.5	Very high	141 Å²	141	62.3 Å²	62.3	61%	0.613	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-71.8	140.5	168.5	-167	177.1	178.6	-175.9	0	109.7	Y222	K73-Y222 CarbonylContact C-O 3.45Å; K73-Y222 VanDerWaalsContact CA-O 3.32Å; K73-Y222 WeakPolarHBondContact CA-O 3.08Å; K73-Y222 HydrophobicContact CB-CD1 4.44Å; K73-Y222 HydrophobicContact CB-CE1 3.83Å; K73-Y222 HydrophobicContact CB-CE2 4Å; K73-Y222 HydrophobicContact CD-CE2 4.23Å; K73-Y222 HydrophobicContact CG-CD2 4.3Å; K73-Y222 HydrophobicContact CG-CE2 3.82Å; K73-Y222 WeakPolarHBondContact CG-O 3.36Å; K73-Y222 VanDerWaalsContact N-CE1 3.32Å
74	T	98	Very high	96.7	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.049	32%	0.319	C	S	.	.			trans	-135.2	179.1	178.6	-167.3	0	0	0	0	110.6	E78 G221 Y222 I223 H234	T74-E78 VanDerWaalsContact OG1-CB 3.23Å; T74-E78 WeakPolarHBondContact OG1-CB 3.27Å; T74-E78 VanDerWaalsContact OG1-CG 3.29Å; T74-E78 WeakPolarHBondContact OG1-CG 3.44Å; T74-G221 VanDerWaalsContact CG2-O 3.28Å; T74-G221 WeakPolarHBondContact CG2-O 3.03Å; T74-Y222 PolarHBondContact N-O 2.66Å; T74-I223 HydrophobicContact CG2-CG1 4.2Å; T74-H234 HydrophobicContact CG2-CB 3.54Å
75	D	96.4	Very high	96.9	Very high	66 Å²	66	61.7 Å²	61.7	35%	0.353	33%	0.329	S	S	.	.			trans	-139.8	171	173.5	73.7	67.3	0	0	0	110.6	S77 E78 H234	D75-S77 PolarHBondContact O-N 2.72Å; D75-S77 WeakPolarHBondContact OD1-CA 3.15Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 3.23Å; D75-S77 PolarHBondContact OD1-OG 2.9Å; D75-E78 PolarHBondContact O-N 3.03Å; D75-E78 PolarHBondContact OD1-N 3.37Å; D75-E78 VanDerWaalsContact OD1-N 3.12Å; D75-H234 PolarHBondContact O-ND1 3.36Å
76	P	93.7	Very high	97	Very high	56 Å²	56	64 Å²	64	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.2	-174.6	-20.6	33	0	0	0	114.7	I223 A243 I244	P76-I223 HydrophobicContact CG-CD1 4.39Å; P76-A243 HydrophobicContact CB-CB 4Å; P76-I244 HydrophobicContact CB-CD1 4.16Å; P76-I244 HydrophobicContact CB-CG1 3.9Å; P76-I244 HydrophobicContact CG-CD1 3.52Å; P76-I244 HydrophobicContact CG-CG1 3.57Å
77	S	94.3	Very high	97	Very high	92 Å²	92	63.3 Å²	63.3	64%	0.643	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.2	-178.5	64.7	0	0	0	0	113.9	D75 E79	D75-S77 PolarHBondContact O-N 2.72Å; D75-S77 WeakPolarHBondContact OD1-CA 3.15Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 3.23Å; D75-S77 PolarHBondContact OD1-OG 2.9Å; S77-E79 PolarHBondContact O-N 3.27Å
78	E	93.7	Very high	97.1	Very high	33 Å²	33	60.8 Å²	60.8	15%	0.154	33%	0.325	C	S	.	.			trans	-64.9	132.4	178.7	179.1	64.3	-81	0	0	110.8	T74 D75 I80 R82 H234	T74-E78 VanDerWaalsContact OG1-CB 3.23Å; T74-E78 WeakPolarHBondContact OG1-CB 3.27Å; T74-E78 VanDerWaalsContact OG1-CG 3.29Å; T74-E78 WeakPolarHBondContact OG1-CG 3.44Å; D75-E78 PolarHBondContact O-N 3.03Å; D75-E78 PolarHBondContact OD1-N 3.37Å; D75-E78 VanDerWaalsContact OD1-N 3.12Å; E78-I80 HydrophobicContact CG-CB 4.43Å; E78-I80 WeakPolarHBondContact CG-O 3.18Å; E78-I80 WeakPolarHBondContact OE1-CB 3.3Å; E78-I80 WeakPolarHBondContact OE1-CG1 3.3Å; E78-I80 PolarHBondContact OE1-N 3.03Å; E78-R82 HydrophobicContact CG-CG 4.22Å; E78-R82 IonicContact OE2-CZ 3.15Å; E78-R82 IonicContact OE2-NE 3.53Å; E78-R82 PolarHBondContact OE2-NE 3.01Å; E78-R82 IonicContact OE2-NH2 2.69Å; E78-R82 PolarHBondContact OE2-NH2 3.46Å; E78-H234 PolarHBondContact O-CE1 3.46Å
79	E	93.3	Very high	97	Very high	144 Å²	144	63.6 Å²	63.6	67%	0.673	34%	0.344	S	S	*	.			trans	-105.6	-18.7	175.3	-61.1	-58.7	155.8	0	0	111.6	S77 D81 K241	S77-E79 PolarHBondContact O-N 3.27Å; E79-D81 PolarHBondContact O-N 3.19Å; E79-K241 IonicContact OE1-NZ 3.06Å; E79-K241 PolarHBondContact OE1-NZ 3.27Å; E79-K241 IonicContact OE2-NZ 3.65Å; E79-K241 PolarHBondContact OE2-NZ 2.86Å
80	I	96.1	Very high	97	Very high	103 Å²	103	67.2 Å²	67.2	53%	0.528	35%	0.354	S	S	.	.	S	Bend	trans	-73.6	129	176.7	-59.6	174.7	0	0	0	109.1	E78 R82	E78-I80 HydrophobicContact CG-CB 4.43Å; E78-I80 WeakPolarHBondContact CG-O 3.18Å; E78-I80 WeakPolarHBondContact OE1-CB 3.3Å; E78-I80 WeakPolarHBondContact OE1-CG1 3.3Å; E78-I80 PolarHBondContact OE1-N 3.03Å; I80-R82 PolarHBondContact O-N 3.06Å
81	D	97.7	Very high	97	Very high	48 Å²	48	66.5 Å²	66.5	26%	0.257	35%	0.352	S	S	.	.			trans	-67.6	104.1	171.9	-160.8	-29.9	0	0	0	110.5	E79 A83 N218 K220	E79-D81 PolarHBondContact O-N 3.19Å; D81-A83 VanDerWaalsContact C-N 3.27Å; D81-A83 PolarHBondContact OD1-N 2.94Å; D81-N218 PolarHBondContact OD2-ND2 2.87Å; D81-N218 VanDerWaalsContact OD2-ND2 3.12Å; D81-K220 HydrophobicContact CB-CD 3.96Å; D81-K220 VanDerWaalsContact OD2-CD 3.23Å; D81-K220 WeakPolarHBondContact OD2-CD 3.4Å; D81-K220 WeakPolarHBondContact OD2-CE 3.49Å; D81-K220 IonicContact OD2-NZ 3.91Å; D81-K220 PolarHBondContact OD2-NZ 2.89Å
82	R	98.3	Very high	97	Very high	110 Å²	110	66.3 Å²	66.3	42%	0.415	35%	0.352	S	S	.	.	S	Bend	trans	-87.9	1.9	178.3	-57.5	-61.2	-170	149	0.7	112.1	G72 E78 I80 K220	G72-R82 WeakPolarHBondContact CA-O 3.45Å; G72-R82 PolarHBondContact N-O 3.28Å; E78-R82 HydrophobicContact CG-CG 4.22Å; E78-R82 IonicContact OE2-CZ 3.15Å; E78-R82 IonicContact OE2-NE 3.53Å; E78-R82 PolarHBondContact OE2-NE 3.01Å; E78-R82 IonicContact OE2-NH2 2.69Å; E78-R82 PolarHBondContact OE2-NH2 3.46Å; I80-R82 PolarHBondContact O-N 3.06Å; R82-K220 WeakPolarHBondContact CA-O 3.29Å; R82-K220 WeakPolarHBondContact CB-O 3.2Å; R82-K220 PolarHBondContact N-O 3.15Å
83	A	98.2	Very high	97	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.			trans	-145.4	66.4	-174.6	0	0	0	0	0	112.4	Q71 D81 L85 Y219 K220	Q71-A83 HydrophobicContact CB-CB 3.86Å; Q71-A83 VanDerWaalsContact CD-CA 3.49Å; Q71-A83 HydrophobicContact CG-CB 4.37Å; D81-A83 VanDerWaalsContact C-N 3.27Å; D81-A83 PolarHBondContact OD1-N 2.94Å; A83-L85 PolarHBondContact O-N 3.33Å; A83-L85 VanDerWaalsContact O-O 3.06Å; A83-Y219 HydrophobicContact CB-CD1 3.39Å; A83-Y219 HydrophobicContact CB-CE1 3.31Å; A83-Y219 HydrophobicContact CB-CG 4.13Å; A83-K220 VanDerWaalsContact CB-C 3.5Å; A83-K220 PolarHBondContact N-O 2.92Å
84	P	97	Very high	96.9	Very high	101 Å²	101	65.4 Å²	65.4	66%	0.656	35%	0.352	S	S	*	.			trans	-63.5	-5.7	-176.2	28.3	-37.7	0	0	0	115.5	Q71	Q71-P84 VanDerWaalsContact OE1-CD 3.29Å; Q71-P84 VanDerWaalsContact OE1-N 3.15Å
85	L	98.3	Very high	96.7	Very high	103 Å²	103	66 Å²	66	54%	0.539	35%	0.354	S	S	.	.	S	Bend	trans	-109.7	161.7	176.1	-58.4	174.9	0	0	0	111.4	Q71 A83	Q71-L85 PolarHBondContact NE2-O 3.48Å; A83-L85 PolarHBondContact O-N 3.33Å; A83-L85 VanDerWaalsContact O-O 3.06Å
86	P	98.4	Very high	96.8	Very high	72 Å²	72	64.3 Å²	64.3	47%	0.468	35%	0.345	S	S	.	.			trans	-58.1	145.8	172.4	-26.5	36.2	0	0	0	113.4	E212	P86-E212 WeakPolarHBondContact CA-OE1 3.4Å; P86-E212 HydrophobicContact CB-CG 4.03Å
87	L	98.5	Very high	96.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-65.3	-46.1	170.2	176	60.8	0	0	0	110.9	L68 N69 F70 T89 F208 E212 Y219 A231 I233 F247	L68-L87 CarbonylContact C-O 3.44Å; L68-L87 VanDerWaalsContact CA-O 3.27Å; L68-L87 WeakPolarHBondContact CA-O 3.49Å; L68-L87 HydrophobicContact CB-CD1 4.27Å; L68-L87 HydrophobicContact CD2-CD1 4.47Å; L68-L87 HydrophobicContact CD2-CG 4.21Å; N69-L87 PolarHBondContact N-O 3.37Å; F70-L87 HydrophobicContact CD1-CD1 4.05Å; F70-L87 HydrophobicContact CE1-CD1 4.3Å; L87-T89 PolarHBondContact O-N 3.09Å; L87-F208 HydrophobicContact CB-CE1 4.14Å; L87-F208 HydrophobicContact CD2-CE1 3.93Å; L87-F208 HydrophobicContact CD2-CZ 4.27Å; L87-E212 WeakPolarHBondContact CB-OE1 3.2Å; L87-E212 PolarHBondContact N-OE1 2.84Å; L87-E212 PolarHBondContact N-OE2 3.38Å; L87-Y219 HydrophobicContact CB-CD1 3.68Å; L87-Y219 HydrophobicContact CB-CD2 4.25Å; L87-Y219 HydrophobicContact CB-CE1 4.08Å; L87-Y219 HydrophobicContact CB-CG 3.78Å; L87-Y219 HydrophobicContact CD1-CD1 4.46Å; L87-Y219 HydrophobicContact CD1-CE1 3.98Å; L87-Y219 HydrophobicContact CD1-CE2 4.39Å; L87-A231 HydrophobicContact CD2-CB 4.28Å; L87-I233 HydrophobicContact CD2-CD1 3.95Å; L87-I233 HydrophobicContact CD2-CG2 4.4Å; L87-F247 HydrophobicContact CD2-CZ 4.01Å
88	F	98.2	Very high	97.1	Very high	12 Å²	12	63.2 Å²	63.2	5%	0.053	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98.4	179.6	-72.3	-92.3	0	0	0	110.8	I66 L68 V91 W205 F208 Y209 E212 F247	I66-F88 HydrophobicContact CG2-CD1 4.01Å; I66-F88 HydrophobicContact CG2-CE1 3.93Å; L68-F88 HydrophobicContact CD2-CD1 3.59Å; L68-F88 HydrophobicContact CD2-CD2 4.46Å; L68-F88 HydrophobicContact CD2-CE1 3.53Å; L68-F88 HydrophobicContact CD2-CE2 4.37Å; L68-F88 HydrophobicContact CD2-CG 4.08Å; L68-F88 HydrophobicContact CD2-CZ 3.93Å; F88-V91 HydrophobicContact CB-CG2 4.3Å; F88-V91 HydrophobicContact CD1-CG2 3.58Å; F88-V91 HydrophobicContact CE1-CG2 4.36Å; F88-V91 HydrophobicContact CG-CG2 4.31Å; F88-W205 AromaticContact CE1-CE3 3.64Å; F88-W205 HydrophobicContact CE1-CE3 3.64Å; F88-W205 HydrophobicContact CE1-CZ3 4.15Å; F88-W205 HydrophobicContact CZ-CB 4.15Å; F88-W205 AromaticContact CZ-CE3 3.92Å; F88-W205 HydrophobicContact CZ-CE3 3.92Å; F88-F208 AromaticContact CD2-CD1 3.85Å; F88-F208 HydrophobicContact CD2-CD1 3.85Å; F88-F208 HydrophobicContact CD2-CE1 4.1Å; F88-F208 AromaticContact CE2-CD1 3.49Å; F88-F208 HydrophobicContact CE2-CD1 3.49Å; F88-F208 VanDerWaalsContact CE2-CD1 3.49Å; F88-F208 HydrophobicContact CE2-CE1 4.02Å; F88-F208 HydrophobicContact CE2-CG 4.44Å; F88-Y209 HydrophobicContact CB-CD2 3.58Å; F88-Y209 HydrophobicContact CB-CE2 4.08Å; F88-Y209 HydrophobicContact CD1-CD2 4.12Å; F88-Y209 HydrophobicContact CD2-CD2 4.3Å; F88-Y209 AromaticContact CG-CD2 3.75Å; F88-Y209 HydrophobicContact CG-CD2 3.75Å; F88-Y209 HydrophobicContact CG-CG 4.38Å; F88-E212 WeakPolarHBondContact CB-OE2 3.38Å; F88-E212 WeakPolarHBondContact CD2-OE2 3.45Å; F88-E212 PolarHBondContact N-OE2 3.41Å; F88-F247 HydrophobicContact CE2-CE2 4.32Å; F88-F247 HydrophobicContact CE2-CZ 4.2Å; F88-F247 HydrophobicContact CZ-CE2 4.11Å; F88-F247 HydrophobicContact CZ-CZ 4.44Å
89	T	97.3	Very high	97.3	Very high	92 Å²	92	65.7 Å²	65.7	56%	0.564	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	-36.4	175.7	-52.1	0	0	0	0	112	V67 N69 L87	V67-T89 PolarHBondContact O-N 3.09Å; N69-T89 VanDerWaalsContact CB-OG1 3.24Å; N69-T89 WeakPolarHBondContact CB-OG1 3.26Å; L87-T89 PolarHBondContact O-N 3.09Å
90	R	96.9	Very high	97.5	Very high	124 Å²	124	59 Å²	59	47%	0.468	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.5	177.4	-179.8	172.2	168.5	-87.5	-3.1	110.6	G64 I66 V67	G64-R90 PolarHBondContact O-NH1 3.31Å; I66-R90 WeakPolarHBondContact CA-O 3.48Å; V67-R90 HydrophobicContact CB-CB 4.09Å; V67-R90 HydrophobicContact CG2-CB 4.18Å; V67-R90 PolarHBondContact N-O 2.83Å; V67-R90 PolarHBondContact O-N 3.23Å
91	V	97.9	Very high	97.7	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.4	166.7	178	0	0	0	0	107.6	D65 F88 E93 L95 W205 Y209	D65-V91 CarbonylContact O-C 3.59Å; D65-V91 WeakPolarHBondContact O-CA 3.41Å; F88-V91 HydrophobicContact CB-CG2 4.3Å; F88-V91 HydrophobicContact CD1-CG2 3.58Å; F88-V91 HydrophobicContact CE1-CG2 4.36Å; F88-V91 HydrophobicContact CG-CG2 4.31Å; V91-E93 PolarHBondContact O-N 3.08Å; V91-L95 HydrophobicContact CG1-CD2 3.81Å; V91-W205 HydrophobicContact CG1-CH2 4.21Å; V91-W205 HydrophobicContact CG1-CZ3 4.08Å; V91-W205 HydrophobicContact CG2-CZ3 4.33Å; V91-Y209 HydrophobicContact CB-CD1 4.46Å; V91-Y209 HydrophobicContact CB-CD2 4.43Å; V91-Y209 HydrophobicContact CB-CE1 3.94Å; V91-Y209 HydrophobicContact CB-CE2 3.91Å; V91-Y209 HydrophobicContact CG1-CD1 4.41Å; V91-Y209 HydrophobicContact CG1-CE1 4.07Å; V91-Y209 HydrophobicContact CG2-CD1 4.2Å; V91-Y209 HydrophobicContact CG2-CD2 3.61Å; V91-Y209 HydrophobicContact CG2-CE1 4.09Å; V91-Y209 HydrophobicContact CG2-CE2 3.48Å; V91-Y209 VanDerWaalsContact CG2-CE2 3.48Å; V91-Y209 HydrophobicContact CG2-CG 3.96Å
92	N	97.8	Very high	97.7	Very high	49 Å²	49	57.6 Å²	57.6	26%	0.262	31%	0.309	S	S	.	.			trans	-73.9	91.1	170.4	-179.5	9.9	0	0	0	109.6	D65 S94 L95	D65-N92 HydrophobicContact CB-CB 3.89Å; D65-N92 PolarHBondContact O-N 2.89Å; D65-N92 VanDerWaalsContact OD1-CB 3.32Å; D65-N92 WeakPolarHBondContact OD1-CB 3.48Å; D65-N92 PolarHBondContact OD1-ND2 2.97Å; N92-S94 PolarHBondContact ND2-OG 2.85Å; N92-S94 PolarHBondContact O-N 3.03Å; N92-S94 PolarHBondContact OD1-N 2.92Å; N92-S94 PolarHBondContact OD1-OG 3.3Å; N92-L95 WeakPolarHBondContact O-CD2 3.3Å; N92-L95 WeakPolarHBondContact O-CG 3.04Å; N92-L95 PolarHBondContact O-N 2.86Å; N92-L95 VanDerWaalsContact O-N 3.08Å
93	E	97.7	Very high	97.7	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.35	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-65	-7.9	-173.6	-60.3	-162.5	130.4	0	0	114.4	V91 L95 L96 Y209 K213	V91-E93 PolarHBondContact O-N 3.08Å; E93-L95 PolarHBondContact O-N 3.2Å; E93-L95 VanDerWaalsContact O-N 3.13Å; E93-L96 HydrophobicContact CB-CD1 4.22Å; E93-L96 HydrophobicContact CG-CD1 4.17Å; E93-L96 WeakPolarHBondContact O-CB 3.37Å; E93-L96 PolarHBondContact O-N 3.39Å; E93-Y209 HydrophobicContact CG-CE1 4.41Å; E93-Y209 WeakPolarHBondContact OE1-CE1 3.25Å; E93-Y209 PolarHBondContact OE1-OH 2.69Å; E93-K213 IonicContact OE1-NZ 3.61Å; E93-K213 PolarHBondContact OE1-NZ 3.15Å; E93-K213 IonicContact OE2-NZ 3.46Å; E93-K213 PolarHBondContact OE2-NZ 3.4Å
94	S	97.4	Very high	97.7	Very high	73 Å²	73	52.7 Å²	52.7	51%	0.51	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.8	169.4	73.8	0	0	0	0	112.2	N92 L96 N97	N92-S94 PolarHBondContact ND2-OG 2.85Å; N92-S94 PolarHBondContact O-N 3.03Å; N92-S94 PolarHBondContact OD1-N 2.92Å; N92-S94 PolarHBondContact OD1-OG 3.3Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.34Å; S94-N97 WeakPolarHBondContact O-CB 3.25Å; S94-N97 PolarHBondContact O-N 3.37Å
95	L	94.4	Very high	97.8	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.105	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.5	-34.9	175.1	77.4	91.7	0	0	0	112.1	A61 V91 N92 E93 N97 G98 Y101 W205	A61-L95 HydrophobicContact CB-CD2 4.48Å; V91-L95 HydrophobicContact CG1-CD2 3.81Å; N92-L95 WeakPolarHBondContact O-CD2 3.3Å; N92-L95 WeakPolarHBondContact O-CG 3.04Å; N92-L95 PolarHBondContact O-N 2.86Å; N92-L95 VanDerWaalsContact O-N 3.08Å; E93-L95 PolarHBondContact O-N 3.2Å; E93-L95 VanDerWaalsContact O-N 3.13Å; L95-N97 PolarHBondContact O-N 3.07Å; L95-N97 VanDerWaalsContact O-N 3.17Å; L95-G98 PolarHBondContact O-N 2.95Å; L95-Y101 HydrophobicContact CD1-CD1 4.11Å; L95-Y101 HydrophobicContact CD1-CE1 3.48Å; L95-Y101 VanDerWaalsContact CD1-CE1 3.48Å; L95-Y101 HydrophobicContact CD1-CE2 4.01Å; L95-Y101 VanDerWaalsContact CD1-CZ 3.42Å; L95-Y101 WeakPolarHBondContact O-CD2 3.44Å; L95-Y101 WeakPolarHBondContact O-CE2 3.23Å; L95-W205 HydrophobicContact CD1-CH2 3.83Å; L95-W205 HydrophobicContact CD1-CZ2 4.04Å; L95-W205 HydrophobicContact CD2-CH2 3.95Å
96	L	97.2	Very high	97.8	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-73.2	-7.9	-176.3	-57.3	176.9	0	0	0	112.9	E93 S94 G98 Y101 V206 Y209	E93-L96 HydrophobicContact CB-CD1 4.22Å; E93-L96 HydrophobicContact CG-CD1 4.17Å; E93-L96 WeakPolarHBondContact O-CB 3.37Å; E93-L96 PolarHBondContact O-N 3.39Å; S94-L96 VanDerWaalsContact C-N 3.28Å; S94-L96 PolarHBondContact O-N 3.34Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-Y101 HydrophobicContact CD2-CD1 3.75Å; L96-Y101 HydrophobicContact CD2-CE1 4.11Å; L96-Y101 HydrophobicContact CD2-CG 4.45Å; L96-Y101 WeakPolarHBondContact O-CB 3.2Å; L96-V206 HydrophobicContact CD2-CG1 3.67Å; L96-V206 HydrophobicContact CD2-CG2 4.35Å; L96-Y209 HydrophobicContact CD1-CE1 4.21Å
97	N	97.2	Very high	97.8	Very high	105 Å²	105	45 Å²	45	56%	0.561	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-83.2	-8.4	178.1	-68.2	-36.9	0	0	0	113.6	S94 L95 K102	S94-N97 WeakPolarHBondContact O-CB 3.25Å; S94-N97 PolarHBondContact O-N 3.37Å; L95-N97 PolarHBondContact O-N 3.07Å; L95-N97 VanDerWaalsContact O-N 3.17Å; N97-K102 VanDerWaalsContact O-CE 3.24Å; N97-K102 WeakPolarHBondContact O-CE 3.18Å
98	G	97.3	Very high	97.7	Very high	20 Å²	20	45.8 Å²	45.8	21%	0.206	25%	0.251	C	S	.	.	S	Bend	trans	-63.4	155.2	177.6	0	0	0	0	0	112.7	L95 L96 T100 Y101 K102	L95-G98 PolarHBondContact O-N 2.95Å; L96-G98 VanDerWaalsContact C-N 3.32Å; G98-T100 VanDerWaalsContact C-N 3.35Å; G98-T100 PolarHBondContact O-N 3.49Å; G98-Y101 PolarHBondContact O-N 2.96Å; G98-K102 PolarHBondContact O-N 3.4Å
99	P	98.1	Very high	97.7	Very high	84 Å²	84	49.2 Å²	49.2	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-41.5	-175.5	22.9	-33.1	0	0	0	112.9	K102 A103	P99-K102 PolarHBondContact O-N 2.99Å; P99-A103 WeakPolarHBondContact O-CB 3.46Å; P99-A103 PolarHBondContact O-N 2.7Å
100	T	98.5	Very high	97.6	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-36.4	179.6	55	0	0	0	0	112.7	G98 L104 M136 T139 E254	G98-T100 VanDerWaalsContact C-N 3.35Å; G98-T100 PolarHBondContact O-N 3.49Å; T100-L104 WeakPolarHBondContact O-CB 3.31Å; T100-L104 PolarHBondContact O-N 2.87Å; T100-M136 HydrophobicContact CG2-CE 3.57Å; T100-M136 HydrophobicContact CG2-SD 4.45Å; T100-T139 HydrophobicContact CG2-CG2 3.85Å; T100-E254 WeakPolarHBondContact CB-OE2 3.28Å; T100-E254 HydrophobicContact CG2-CB 4.47Å; T100-E254 WeakPolarHBondContact CG2-OE2 3.42Å; T100-E254 PolarHBondContact OG1-OE2 3.4Å
101	Y	98.5	Very high	97.6	Very high	8 Å²	8	39.9 Å²	39.9	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-40.3	174	-72.2	-82.7	0	0	0	112.4	S59 L95 L96 G98 L104 A105 W205 V206 T251 S252 P253	S59-Y101 WeakPolarHBondContact O-CE2 3.29Å; S59-Y101 PolarHBondContact O-OH 3.04Å; L95-Y101 HydrophobicContact CD1-CD1 4.11Å; L95-Y101 HydrophobicContact CD1-CE1 3.48Å; L95-Y101 VanDerWaalsContact CD1-CE1 3.48Å; L95-Y101 HydrophobicContact CD1-CE2 4.01Å; L95-Y101 VanDerWaalsContact CD1-CZ 3.42Å; L95-Y101 WeakPolarHBondContact O-CD2 3.44Å; L95-Y101 WeakPolarHBondContact O-CE2 3.23Å; L96-Y101 HydrophobicContact CD2-CD1 3.75Å; L96-Y101 HydrophobicContact CD2-CE1 4.11Å; L96-Y101 HydrophobicContact CD2-CG 4.45Å; L96-Y101 WeakPolarHBondContact O-CB 3.2Å; G98-Y101 PolarHBondContact O-N 2.96Å; Y101-L104 PolarHBondContact O-N 3.24Å; Y101-A105 WeakPolarHBondContact O-CB 3.33Å; Y101-A105 PolarHBondContact O-N 3.34Å; Y101-W205 HydrophobicContact CE1-CZ2 4.46Å; Y101-V206 HydrophobicContact CD1-CG2 4.16Å; Y101-V206 HydrophobicContact CE1-CG2 3.73Å; Y101-T251 PolarHBondContact OH-O 2.89Å; Y101-S252 WeakPolarHBondContact OH-CA 3.38Å; Y101-P253 HydrophobicContact CD1-CG 3.71Å; Y101-P253 HydrophobicContact CD2-CG 4.44Å; Y101-P253 VanDerWaalsContact CE1-CD 3.5Å; Y101-P253 HydrophobicContact CE1-CG 3.9Å; Y101-P253 HydrophobicContact CG-CG 4.02Å; Y101-P253 VanDerWaalsContact CZ-CD 3.49Å
102	K	98.4	Very high	97.5	Very high	114 Å²	114	44.9 Å²	44.9	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-47.7	175.4	-75.3	178.5	173.3	175	0	111.9	N97 G98 P99 L104 A105 D106	N97-K102 VanDerWaalsContact O-CE 3.24Å; N97-K102 WeakPolarHBondContact O-CE 3.18Å; G98-K102 PolarHBondContact O-N 3.4Å; P99-K102 PolarHBondContact O-N 2.99Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 2.91Å; K102-A105 WeakPolarHBondContact O-CB 3.47Å; K102-A105 PolarHBondContact O-N 3.47Å; K102-A105 VanDerWaalsContact O-N 3.08Å; K102-D106 PolarHBondContact O-N 3.09Å
103	A	98.5	Very high	97.4	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.3	0	0	0	0	0	112.2	P99 D106 V107 F132 L135	P99-A103 WeakPolarHBondContact O-CB 3.46Å; P99-A103 PolarHBondContact O-N 2.7Å; A103-D106 PolarHBondContact O-N 3.26Å; A103-V107 WeakPolarHBondContact O-CG2 3.25Å; A103-V107 PolarHBondContact O-N 3.18Å; A103-F132 HydrophobicContact CB-CB 4.43Å; A103-F132 HydrophobicContact CB-CD2 4.17Å; A103-L135 HydrophobicContact CB-CD1 3.52Å
104	L	98.3	Very high	97.4	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-48.6	171.1	174.1	65.7	0	0	0	111.1	T100 Y101 K102 D106 V107 L108 F132 F186 F190 F204 P253	T100-L104 WeakPolarHBondContact O-CB 3.31Å; T100-L104 PolarHBondContact O-N 2.87Å; Y101-L104 PolarHBondContact O-N 3.24Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 2.91Å; L104-D106 VanDerWaalsContact C-N 3.28Å; L104-D106 PolarHBondContact O-N 3.39Å; L104-V107 PolarHBondContact O-N 3.01Å; L104-L108 HydrophobicContact CD1-CD1 4.13Å; L104-L108 HydrophobicContact CD1-CD2 4.42Å; L104-L108 HydrophobicContact CD1-CG 4Å; L104-L108 HydrophobicContact CD2-CD1 4.49Å; L104-L108 HydrophobicContact CG-CD1 3.92Å; L104-L108 HydrophobicContact CG-CG 4.23Å; L104-L108 WeakPolarHBondContact O-CB 3.34Å; L104-L108 VanDerWaalsContact O-CG 3.22Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 2.78Å; L104-F132 HydrophobicContact CB-CE2 4.14Å; L104-F132 HydrophobicContact CD1-CE2 4.27Å; L104-F186 HydrophobicContact CD1-CE1 4.18Å; L104-F186 HydrophobicContact CD1-CZ 3.61Å; L104-F190 HydrophobicContact CD1-CB 4.39Å; L104-F204 HydrophobicContact CD2-CD1 3.79Å; L104-F204 HydrophobicContact CD2-CE1 3.24Å; L104-F204 HydrophobicContact CD2-CZ 4.16Å; L104-P253 HydrophobicContact CB-CB 4.45Å; L104-P253 HydrophobicContact CB-CG 4.4Å; L104-P253 HydrophobicContact CD2-CB 4.13Å; L104-P253 HydrophobicContact CD2-CG 3.89Å
105	A	98.2	Very high	97.3	Very high	37 Å²	37	41 Å²	41	31%	0.306	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-41.5	179.1	0	0	0	0	0	111.8	Y101 K102 L108 T109	Y101-A105 WeakPolarHBondContact O-CB 3.33Å; Y101-A105 PolarHBondContact O-N 3.34Å; K102-A105 WeakPolarHBondContact O-CB 3.47Å; K102-A105 PolarHBondContact O-N 3.47Å; K102-A105 VanDerWaalsContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 3.17Å; A105-T109 WeakPolarHBondContact O-CG2 3.28Å; A105-T109 PolarHBondContact O-N 3.02Å
106	D	98.2	Very high	97.4	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-46.1	176.7	-71.2	-25.6	0	0	0	112	K102 A103 L104 L108 T109 K128	K102-D106 PolarHBondContact O-N 3.09Å; A103-D106 PolarHBondContact O-N 3.26Å; L104-D106 VanDerWaalsContact C-N 3.28Å; L104-D106 PolarHBondContact O-N 3.39Å; D106-L108 VanDerWaalsContact C-N 3.35Å; D106-L108 PolarHBondContact O-N 2.92Å; D106-T109 WeakPolarHBondContact O-CB 3.37Å; D106-T109 PolarHBondContact O-N 3.45Å; D106-T109 PolarHBondContact O-OG1 3.43Å; D106-K128 HydrophobicContact CB-CD 4.36Å
107	V	98.3	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-37.8	177.4	167.4	0	0	0	0	111.5	A103 L104 T109 I110 F111 K128 F132 F171 F186	A103-V107 WeakPolarHBondContact O-CG2 3.25Å; A103-V107 PolarHBondContact O-N 3.18Å; L104-V107 PolarHBondContact O-N 3.01Å; V107-T109 PolarHBondContact O-N 3.01Å; V107-I110 HydrophobicContact CG1-CD1 4.2Å; V107-I110 WeakPolarHBondContact O-CG1 2.94Å; V107-I110 PolarHBondContact O-N 2.71Å; V107-I110 VanDerWaalsContact O-N 3.09Å; V107-F111 HydrophobicContact CG1-CE2 3.78Å; V107-F111 HydrophobicContact CG1-CZ 4.28Å; V107-F111 WeakPolarHBondContact O-CE2 3.34Å; V107-K128 HydrophobicContact CG2-CB 4.19Å; V107-K128 VanDerWaalsContact CG2-O 3.3Å; V107-K128 WeakPolarHBondContact CG2-O 3.27Å; V107-F132 HydrophobicContact CG2-CB 3.48Å; V107-F132 VanDerWaalsContact CG2-CB 3.48Å; V107-F132 HydrophobicContact CG2-CD2 4.37Å; V107-F132 HydrophobicContact CG2-CG 3.97Å; V107-F171 HydrophobicContact CG1-CE1 3.91Å; V107-F171 HydrophobicContact CG1-CZ 4.31Å; V107-F186 HydrophobicContact CG1-CD1 4.1Å; V107-F186 HydrophobicContact CG1-CE1 3.51Å; V107-F186 HydrophobicContact CG1-CZ 3.88Å
108	L	98.1	Very high	97.3	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-21.1	176.3	-73.7	173.9	0	0	0	113.5	L104 A105 D106 I110 F186 A191	L104-L108 HydrophobicContact CD1-CD1 4.13Å; L104-L108 HydrophobicContact CD1-CD2 4.42Å; L104-L108 HydrophobicContact CD1-CG 4Å; L104-L108 HydrophobicContact CD2-CD1 4.49Å; L104-L108 HydrophobicContact CG-CD1 3.92Å; L104-L108 HydrophobicContact CG-CG 4.23Å; L104-L108 WeakPolarHBondContact O-CB 3.34Å; L104-L108 VanDerWaalsContact O-CG 3.22Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 2.78Å; A105-L108 PolarHBondContact O-N 3.17Å; D106-L108 VanDerWaalsContact C-N 3.35Å; D106-L108 PolarHBondContact O-N 2.92Å; L108-I110 VanDerWaalsContact C-N 3.25Å; L108-I110 PolarHBondContact O-N 2.58Å; L108-F186 HydrophobicContact CD2-CE1 4.49Å; L108-A191 VanDerWaalsContact CD2-CA 3.46Å; L108-A191 HydrophobicContact CD2-CB 3.56Å
109	T	97	Very high	97.1	Very high	84 Å²	84	44.3 Å²	44.3	52%	0.515	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.7	177.6	68.1	0	0	0	0	114.4	A105 D106 V107 K128	A105-T109 WeakPolarHBondContact O-CG2 3.28Å; A105-T109 PolarHBondContact O-N 3.02Å; D106-T109 WeakPolarHBondContact O-CB 3.37Å; D106-T109 PolarHBondContact O-N 3.45Å; D106-T109 PolarHBondContact O-OG1 3.43Å; V107-T109 PolarHBondContact O-N 3.01Å; T109-K128 PolarHBondContact OG1-NZ 2.95Å
110	I	96.1	Very high	96.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.236	C	C	.	.	S	Bend	trans	-85.4	-25.5	-172	80.3	-167.9	0	0	0	113	V107 L108 Q125 K128 I129	V107-I110 HydrophobicContact CG1-CD1 4.2Å; V107-I110 WeakPolarHBondContact O-CG1 2.94Å; V107-I110 PolarHBondContact O-N 2.71Å; V107-I110 VanDerWaalsContact O-N 3.09Å; L108-I110 VanDerWaalsContact C-N 3.25Å; L108-I110 PolarHBondContact O-N 2.58Å; I110-Q125 HydrophobicContact CB-CB 4.35Å; I110-Q125 HydrophobicContact CB-CG 4.21Å; I110-Q125 HydrophobicContact CG2-CB 3.95Å; I110-Q125 HydrophobicContact CG2-CG 3.83Å; I110-K128 HydrophobicContact CG2-CD 4.12Å; I110-I129 HydrophobicContact CD1-CD1 3.6Å; I110-I129 HydrophobicContact CD1-CG1 3.6Å
111	F	97	Very high	96.6	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.079	24%	0.242	C	C	.	.			trans	-85.5	155.4	-170.7	-60.6	-70.2	0	0	0	113.4	V107 E119 W121 F171 F186 E187 A191	V107-F111 HydrophobicContact CG1-CE2 3.78Å; V107-F111 HydrophobicContact CG1-CZ 4.28Å; V107-F111 WeakPolarHBondContact O-CE2 3.34Å; F111-E119 WeakPolarHBondContact CA-OE1 3.14Å; F111-W121 HydrophobicContact CD1-CZ2 4.18Å; F111-W121 HydrophobicContact CE1-CH2 4.28Å; F111-W121 AromaticContact CE1-CZ2 3.61Å; F111-W121 HydrophobicContact CE1-CZ2 3.61Å; F111-F171 HydrophobicContact CZ-CD1 4.14Å; F111-F171 AromaticContact CZ-CE1 3.99Å; F111-F171 HydrophobicContact CZ-CE1 3.99Å; F111-F186 AromaticContact CE2-CD1 3.45Å; F111-F186 HydrophobicContact CE2-CD1 3.45Å; F111-F186 VanDerWaalsContact CE2-CD1 3.45Å; F111-F186 AromaticContact CE2-CE1 3.82Å; F111-F186 HydrophobicContact CE2-CE1 3.82Å; F111-F186 HydrophobicContact CZ-CB 4.32Å; F111-F186 AromaticContact CZ-CD1 3.54Å; F111-F186 HydrophobicContact CZ-CD1 3.54Å; F111-F186 HydrophobicContact CZ-CE1 4.32Å; F111-F186 HydrophobicContact CZ-CG 4.29Å; F111-E187 HydrophobicContact CB-CG 4.19Å; F111-E187 WeakPolarHBondContact CB-OE1 3.4Å; F111-E187 HydrophobicContact CD1-CB 3.66Å; F111-E187 HydrophobicContact CD1-CG 3.84Å; F111-E187 HydrophobicContact CE1-CB 3.81Å; F111-E187 HydrophobicContact CE1-CG 4.48Å; F111-E187 HydrophobicContact CG-CB 4.16Å; F111-E187 HydrophobicContact CG-CG 4.08Å; F111-E187 HydrophobicContact CZ-CB 4.42Å; F111-A191 HydrophobicContact CB-CB 4.49Å; F111-A191 HydrophobicContact CD2-CB 4.06Å; F111-A191 HydrophobicContact CG-CB 4.44Å
112	R	95.9	Very high	96.5	Very high	119 Å²	119	51.5 Å²	51.5	45%	0.449	26%	0.259	S	S	.	.			trans	-99.4	148.7	169.3	-62.3	-66.2	177.3	-110	0.7	109.4	E117 E119	R112-E117 HydrophobicContact CB-CB 4Å; R112-E117 HydrophobicContact CG-CB 4.21Å; R112-E119 WeakPolarHBondContact CB-OE1 3.45Å; R112-E119 WeakPolarHBondContact CG-OE1 3.28Å; R112-E119 PolarHBondContact N-OE1 3.09Å
113	E	96.1	Very high	96.5	Very high	55 Å²	55	53 Å²	53	26%	0.257	27%	0.268	S	S	.	.	S	Bend	trans	-81.6	-22.6	-176.9	-64	179.3	-176.8	0	0	111.7	E193 K194 R207 K216 W237	E113-E193 CarbonylContact O-C 3.45Å; E113-E193 WeakPolarHBondContact O-CA 3.47Å; E113-K194 HydrophobicContact CB-CD 4.27Å; E113-K194 WeakPolarHBondContact O-CA 3.27Å; E113-K194 WeakPolarHBondContact O-CB 3.48Å; E113-K194 PolarHBondContact O-N 3.11Å; E113-K194 IonicContact OE2-NZ 3.76Å; E113-K194 PolarHBondContact OE2-NZ 3.03Å; E113-R207 IonicContact OE1-NH2 2.84Å; E113-K216 IonicContact OE1-NZ 2.99Å; E113-W237 HydrophobicContact CB-CH2 4.31Å; E113-W237 HydrophobicContact CG-CH2 3.79Å; E113-W237 HydrophobicContact CG-CZ2 3.78Å; E113-W237 VanDerWaalsContact OE1-CZ2 3.25Å; E113-W237 WeakPolarHBondContact OE1-CZ2 3.42Å; E113-W237 WeakPolarHBondContact OE2-CZ2 3.48Å
114	D	96.7	Very high	96.5	Very high	60 Å²	60	59.3 Å²	59.3	32%	0.321	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-101.1	122.2	-175.5	-172.5	-13.6	0	0	0	111.2	H116 E117	D114-H116 PolarHBondContact O-N 3.48Å; D114-H116 VanDerWaalsContact O-N 3.11Å; D114-H116 WeakPolarHBondContact OD1-CB 3.46Å; D114-H116 IonicContact OD1-CD2 3.84Å; D114-H116 PolarHBondContact OD1-CD2 3.34Å; D114-H116 IonicContact OD1-CG 3.88Å; D114-H116 PolarHBondContact OD1-N 3.36Å; D114-E117 HydrophobicContact CB-CG 4.13Å; D114-E117 WeakPolarHBondContact O-CB 3.26Å; D114-E117 PolarHBondContact O-N 3.24Å
115	V	96.1	Very high	96.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.3	-179.8	-57.2	0	0	0	0	113.7	E117 R176 A177 S180 S183 E193 K194 R195	V115-E117 VanDerWaalsContact C-N 3.29Å; V115-R176 HydrophobicContact CB-CB 4.23Å; V115-R176 HydrophobicContact CG1-CB 4.39Å; V115-R176 HydrophobicContact CG2-CB 4.38Å; V115-A177 HydrophobicContact CG2-CB 3.88Å; V115-S180 PolarHBondContact O-OG 2.94Å; V115-S183 WeakPolarHBondContact CG1-OG 2.98Å; V115-E193 HydrophobicContact CG1-CB 3.83Å; V115-E193 HydrophobicContact CG1-CG 3.62Å; V115-K194 WeakPolarHBondContact CG2-O 3.36Å; V115-K194 PolarHBondContact N-O 2.9Å; V115-R195 HydrophobicContact CG2-CB 3.58Å; V115-R195 HydrophobicContact CG2-CG 3.59Å
116	H	95.9	Very high	96.5	Very high	88 Å²	88	62.7 Å²	62.7	41%	0.407	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.3	172.6	-65.3	-77.4	0	0	0	112	D114 A177 S180 D196	D114-H116 PolarHBondContact O-N 3.48Å; D114-H116 VanDerWaalsContact O-N 3.11Å; D114-H116 WeakPolarHBondContact OD1-CB 3.46Å; D114-H116 IonicContact OD1-CD2 3.84Å; D114-H116 PolarHBondContact OD1-CD2 3.34Å; D114-H116 IonicContact OD1-CG 3.88Å; D114-H116 PolarHBondContact OD1-N 3.36Å; H116-A177 VanDerWaalsContact CE1-CB 3.47Å; H116-A177 WeakPolarHBondContact CE1-CB 3.34Å; H116-A177 WeakPolarHBondContact ND1-CB 3.17Å; H116-S180 WeakPolarHBondContact O-CB 3.42Å; H116-D196 IonicContact CD2-OD1 3.92Å; H116-D196 IonicContact CE1-OD1 3.78Å; H116-D196 IonicContact NE2-OD1 2.91Å; H116-D196 PolarHBondContact NE2-OD1 2.88Å
117	E	95.7	Very high	96.5	Very high	92 Å²	92	65.7 Å²	65.7	43%	0.43	32%	0.317	S	S	.	.	S	Bend	trans	-81.4	122.5	174.9	-65.1	-174.5	85.4	0	0	110.4	R112 D114 V115 G182	R112-E117 HydrophobicContact CB-CB 4Å; R112-E117 HydrophobicContact CG-CB 4.21Å; D114-E117 HydrophobicContact CB-CG 4.13Å; D114-E117 WeakPolarHBondContact O-CB 3.26Å; D114-E117 PolarHBondContact O-N 3.24Å; V115-E117 VanDerWaalsContact C-N 3.29Å; E117-G182 WeakPolarHBondContact O-CA 3.5Å
118	T	95.4	Very high	96.5	Very high	58 Å²	58	68.5 Å²	68.5	36%	0.356	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-75.6	133	177.8	-66.5	0	0	0	0	111.4	S180 L181	T118-S180 WeakPolarHBondContact OG1-CA 3.5Å; T118-L181 HydrophobicContact CG2-CB 4.16Å; T118-L181 PolarHBondContact OG1-N 3.33Å
119	E	93.2	Very high	96.5	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.033	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.6	131.4	176.3	-72.9	-64.9	157	0	0	111.8	F111 R112 W121 L173 L181	F111-E119 WeakPolarHBondContact CA-OE1 3.14Å; R112-E119 WeakPolarHBondContact CB-OE1 3.45Å; R112-E119 WeakPolarHBondContact CG-OE1 3.28Å; R112-E119 PolarHBondContact N-OE1 3.09Å; E119-W121 HydrophobicContact CB-CZ2 4.42Å; E119-W121 PolarHBondContact OE2-NE1 2.83Å; E119-L173 HydrophobicContact CB-CD1 3.83Å; E119-L173 HydrophobicContact CB-CD2 3.64Å; E119-L173 HydrophobicContact CB-CG 4.42Å; E119-L173 HydrophobicContact CG-CD2 4.02Å; E119-L181 WeakPolarHBondContact CB-O 3.5Å; E119-L181 PolarHBondContact N-O 2.85Å
120	H	92.4	Very high	96.6	Very high	153 Å²	153	66.7 Å²	66.7	71%	0.708	32%	0.317	S	S	*	.			trans	-137.1	111.6	170.8	-66.8	-54.9	0	0	0	108.9
121	W	95	Very high	96.7	Very high	39 Å²	39	71 Å²	71	15%	0.148	34%	0.337	C	S	.	.			trans	-98.4	127.9	-177	-57	-28.3	0	0	0	111.9	F111 E119 Q125 L126 I129 F167 F171 L173	F111-W121 HydrophobicContact CD1-CZ2 4.18Å; F111-W121 HydrophobicContact CE1-CH2 4.28Å; F111-W121 AromaticContact CE1-CZ2 3.61Å; F111-W121 HydrophobicContact CE1-CZ2 3.61Å; E119-W121 HydrophobicContact CB-CZ2 4.42Å; E119-W121 PolarHBondContact OE2-NE1 2.83Å; W121-Q125 HydrophobicContact CB-CB 4.02Å; W121-L126 HydrophobicContact CB-CD2 4.24Å; W121-L126 HydrophobicContact CB-CG 4.22Å; W121-L126 HydrophobicContact CE3-CD2 3.99Å; W121-I129 HydrophobicContact CD2-CD1 4.05Å; W121-I129 HydrophobicContact CE3-CD1 3.55Å; W121-I129 HydrophobicContact CH2-CD1 4.28Å; W121-I129 HydrophobicContact CZ3-CD1 3.69Å; W121-F167 HydrophobicContact CZ3-CZ 4.45Å; W121-F171 HydrophobicContact CH2-CB 4.09Å; W121-F171 HydrophobicContact CH2-CD1 4.35Å; W121-F171 VanDerWaalsContact CH2-O 3.26Å; W121-F171 WeakPolarHBondContact CH2-O 3.49Å; W121-F171 HydrophobicContact CZ3-CB 4.02Å; W121-F171 WeakPolarHBondContact CZ3-O 3.25Å; W121-L173 HydrophobicContact CH2-CD1 4.49Å; W121-L173 HydrophobicContact CH2-CD2 3.62Å; W121-L173 HydrophobicContact CH2-CG 3.95Å; W121-L173 HydrophobicContact CZ2-CD2 3.57Å; W121-L173 HydrophobicContact CZ2-CG 4.26Å; W121-L173 HydrophobicContact CZ3-CD2 4.47Å; W121-L173 HydrophobicContact CZ3-CG 4.34Å
122	S	96.9	Very high	96.8	Very high	55 Å²	55	70.2 Å²	70.2	39%	0.385	33%	0.333	S	S	.	.			trans	-69.6	166	170.6	74.7	0	0	0	0	111.4	E124 Q125 L126	S122-E124 PolarHBondContact O-N 3.11Å; S122-E124 PolarHBondContact OG-N 3.03Å; S122-Q125 PolarHBondContact O-N 3.18Å; S122-Q125 VanDerWaalsContact O-N 3.08Å; S122-Q125 PolarHBondContact OG-N 3.19Å; S122-Q125 PolarHBondContact OG-OE1 3.48Å; S122-L126 WeakPolarHBondContact O-CG 3.33Å; S122-L126 PolarHBondContact O-N 3.12Å
123	E	97.8	Very high	96.9	Very high	145 Å²	145	64.6 Å²	64.6	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-56.5	-33.8	172.7	-65.5	-178.1	-176.9	0	0	112.5	K127	E123-K127 VanDerWaalsContact O-CG 3.31Å; E123-K127 WeakPolarHBondContact O-CG 3.49Å; E123-K127 PolarHBondContact O-N 2.77Å
124	E	98	Very high	97.1	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-68.3	-41.7	176.2	-171.5	-173.7	166.3	0	0	111.7	S122 K127 K128	S122-E124 PolarHBondContact O-N 3.11Å; S122-E124 PolarHBondContact OG-N 3.03Å; E124-K127 WeakPolarHBondContact O-CB 3.3Å; E124-K127 PolarHBondContact O-N 3.13Å; E124-K128 PolarHBondContact O-N 3.26Å
125	Q	98.1	Very high	97.1	Very high	40 Å²	40	65.2 Å²	65.2	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-39.5	176.3	-69.4	170.7	-62.6	0	0	111.3	I110 W121 S122 K127 K128 I129	I110-Q125 HydrophobicContact CB-CB 4.35Å; I110-Q125 HydrophobicContact CB-CG 4.21Å; I110-Q125 HydrophobicContact CG2-CB 3.95Å; I110-Q125 HydrophobicContact CG2-CG 3.83Å; W121-Q125 HydrophobicContact CB-CB 4.02Å; S122-Q125 PolarHBondContact O-N 3.18Å; S122-Q125 VanDerWaalsContact O-N 3.08Å; S122-Q125 PolarHBondContact OG-N 3.19Å; S122-Q125 PolarHBondContact OG-OE1 3.48Å; Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 3.06Å; Q125-K128 WeakPolarHBondContact O-CB 3.26Å; Q125-K128 PolarHBondContact O-N 2.91Å; Q125-K128 VanDerWaalsContact O-N 3.12Å; Q125-I129 PolarHBondContact O-N 3.29Å; Q125-I129 VanDerWaalsContact O-N 3.15Å
126	L	98.2	Very high	97.3	Very high	71 Å²	71	65.2 Å²	65.2	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-36.9	173.4	-69.9	172	0	0	0	112	W121 S122 K128 I129 D130 F167	W121-L126 HydrophobicContact CB-CD2 4.24Å; W121-L126 HydrophobicContact CB-CG 4.22Å; W121-L126 HydrophobicContact CE3-CD2 3.99Å; S122-L126 WeakPolarHBondContact O-CG 3.33Å; S122-L126 PolarHBondContact O-N 3.12Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.46Å; L126-I129 HydrophobicContact CD2-CD1 4.37Å; L126-I129 PolarHBondContact O-N 3.37Å; L126-D130 WeakPolarHBondContact O-CB 2.92Å; L126-D130 PolarHBondContact O-N 3.45Å; L126-F167 HydrophobicContact CD2-CE2 4.18Å; L126-F167 HydrophobicContact CD2-CZ 4.19Å
127	K	98.4	Very high	97.4	Very high	142 Å²	142	61.7 Å²	61.7	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-34.3	172.8	-74	172.7	-172.9	177.1	0	113	E123 E124 Q125 H131	E123-K127 VanDerWaalsContact O-CG 3.31Å; E123-K127 WeakPolarHBondContact O-CG 3.49Å; E123-K127 PolarHBondContact O-N 2.77Å; E124-K127 WeakPolarHBondContact O-CB 3.3Å; E124-K127 PolarHBondContact O-N 3.13Å; Q125-K127 VanDerWaalsContact C-N 3.3Å; Q125-K127 PolarHBondContact O-N 3.06Å; K127-H131 VanDerWaalsContact O-CB 3.3Å; K127-H131 WeakPolarHBondContact O-CB 3.28Å; K127-H131 PolarHBondContact O-N 2.62Å
128	K	98.6	Very high	97.5	Very high	59 Å²	59	60.3 Å²	60.3	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-43.3	173.5	-66.4	177.1	176.3	-178.2	0	111.2	D106 V107 T109 I110 E124 Q125 L126 F132	D106-K128 HydrophobicContact CB-CD 4.36Å; V107-K128 HydrophobicContact CG2-CB 4.19Å; V107-K128 VanDerWaalsContact CG2-O 3.3Å; V107-K128 WeakPolarHBondContact CG2-O 3.27Å; T109-K128 PolarHBondContact OG1-NZ 2.95Å; I110-K128 HydrophobicContact CG2-CD 4.12Å; E124-K128 PolarHBondContact O-N 3.26Å; Q125-K128 WeakPolarHBondContact O-CB 3.26Å; Q125-K128 PolarHBondContact O-N 2.91Å; Q125-K128 VanDerWaalsContact O-N 3.12Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.46Å; K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 3.14Å
129	I	98.6	Very high	97.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-48.9	175.8	-65.9	169.8	0	0	0	110.5	I110 W121 Q125 L126 H131 F132 L133 F167 F171	I110-I129 HydrophobicContact CD1-CD1 3.6Å; I110-I129 HydrophobicContact CD1-CG1 3.6Å; W121-I129 HydrophobicContact CD2-CD1 4.05Å; W121-I129 HydrophobicContact CE3-CD1 3.55Å; W121-I129 HydrophobicContact CH2-CD1 4.28Å; W121-I129 HydrophobicContact CZ3-CD1 3.69Å; Q125-I129 PolarHBondContact O-N 3.29Å; Q125-I129 VanDerWaalsContact O-N 3.15Å; L126-I129 HydrophobicContact CD2-CD1 4.37Å; L126-I129 PolarHBondContact O-N 3.37Å; I129-H131 PolarHBondContact O-N 2.99Å; I129-F132 WeakPolarHBondContact O-CB 3.37Å; I129-F132 PolarHBondContact O-N 3.33Å; I129-L133 HydrophobicContact CG2-CD1 4.22Å; I129-L133 HydrophobicContact CG2-CG 4.47Å; I129-L133 WeakPolarHBondContact O-CG 3.17Å; I129-L133 PolarHBondContact O-N 2.88Å; I129-F167 HydrophobicContact CD1-CE2 4.46Å; I129-F167 HydrophobicContact CG2-CD2 3.85Å; I129-F167 HydrophobicContact CG2-CE2 3.93Å; I129-F171 HydrophobicContact CB-CE1 4.41Å; I129-F171 HydrophobicContact CD1-CD1 3.74Å; I129-F171 HydrophobicContact CD1-CE1 4.21Å; I129-F171 HydrophobicContact CD1-CG 4.33Å; I129-F171 HydrophobicContact CG1-CD1 3.9Å; I129-F171 HydrophobicContact CG1-CE1 3.84Å; I129-F171 HydrophobicContact CG2-CD1 3.83Å; I129-F171 HydrophobicContact CG2-CD2 3.73Å; I129-F171 HydrophobicContact CG2-CE1 3.87Å; I129-F171 HydrophobicContact CG2-CE2 3.77Å; I129-F171 HydrophobicContact CG2-CG 3.75Å; I129-F171 HydrophobicContact CG2-CZ 3.84Å
130	D	98.5	Very high	98	Very high	63 Å²	63	61.9 Å²	61.9	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-49.2	179.5	-174.2	61.7	0	0	0	111.4	L126 F132 L133 E134 K163	L126-D130 WeakPolarHBondContact O-CB 2.92Å; L126-D130 PolarHBondContact O-N 3.45Å; D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 3.04Å; D130-L133 PolarHBondContact O-N 3.02Å; D130-E134 WeakPolarHBondContact O-CG 3.24Å; D130-E134 PolarHBondContact O-N 2.61Å; D130-K163 WeakPolarHBondContact OD1-CE 3.25Å; D130-K163 IonicContact OD1-NZ 2.79Å; D130-K163 PolarHBondContact OD1-NZ 2.8Å; D130-K163 IonicContact OD2-NZ 2.8Å
131	H	98.6	Very high	98.3	Very high	91 Å²	91	54.7 Å²	54.7	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-41.8	176.2	-179.9	52.6	0	0	0	113	K127 I129 E134 L135	K127-H131 VanDerWaalsContact O-CB 3.3Å; K127-H131 WeakPolarHBondContact O-CB 3.28Å; K127-H131 PolarHBondContact O-N 2.62Å; I129-H131 PolarHBondContact O-N 2.99Å; H131-E134 PolarHBondContact O-N 2.75Å; H131-L135 VanDerWaalsContact CE1-CD1 3.45Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.44Å; H131-L135 VanDerWaalsContact NE2-CD1 3.28Å; H131-L135 WeakPolarHBondContact NE2-CD1 3.2Å; H131-L135 WeakPolarHBondContact O-CB 3.38Å; H131-L135 WeakPolarHBondContact O-CG 3.32Å; H131-L135 PolarHBondContact O-N 3.27Å
132	F	98.8	Very high	98.5	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-47.2	175.6	170.2	-90.9	0	0	0	111.7	A103 L104 V107 K128 I129 D130 L135 M136 F171 F186 F257	A103-F132 HydrophobicContact CB-CB 4.43Å; A103-F132 HydrophobicContact CB-CD2 4.17Å; L104-F132 HydrophobicContact CB-CE2 4.14Å; L104-F132 HydrophobicContact CD1-CE2 4.27Å; V107-F132 HydrophobicContact CG2-CB 3.48Å; V107-F132 VanDerWaalsContact CG2-CB 3.48Å; V107-F132 HydrophobicContact CG2-CD2 4.37Å; V107-F132 HydrophobicContact CG2-CG 3.97Å; K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 3.14Å; I129-F132 WeakPolarHBondContact O-CB 3.37Å; I129-F132 PolarHBondContact O-N 3.33Å; D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 3.04Å; F132-L135 PolarHBondContact O-N 2.03Å; F132-M136 HydrophobicContact CD1-CG 4.12Å; F132-M136 HydrophobicContact CD2-CE 3.78Å; F132-M136 HydrophobicContact CD2-CG 4.37Å; F132-M136 HydrophobicContact CE1-CG 3.58Å; F132-M136 HydrophobicContact CE1-SD 4.5Å; F132-M136 HydrophobicContact CE2-CE 3.47Å; F132-M136 VanDerWaalsContact CE2-CE 3.47Å; F132-M136 HydrophobicContact CE2-CG 3.88Å; F132-M136 HydrophobicContact CE2-SD 3.82Å; F132-M136 HydrophobicContact CG-CG 4.47Å; F132-M136 HydrophobicContact CZ-CE 4.02Å; F132-M136 HydrophobicContact CZ-CG 3.43Å; F132-M136 VanDerWaalsContact CZ-CG 3.43Å; F132-M136 HydrophobicContact CZ-SD 3.76Å; F132-M136 WeakPolarHBondContact O-CG 3.06Å; F132-M136 PolarHBondContact O-N 2.71Å; F132-F171 HydrophobicContact CD1-CE2 4.48Å; F132-F171 HydrophobicContact CD1-CZ 4.07Å; F132-F171 HydrophobicContact CE1-CZ 4.32Å; F132-F186 HydrophobicContact CD1-CE2 4.25Å; F132-F186 HydrophobicContact CE1-CD2 4.28Å; F132-F186 AromaticContact CE1-CE2 3.43Å; F132-F186 HydrophobicContact CE1-CE2 3.43Å; F132-F186 VanDerWaalsContact CE1-CE2 3.43Å; F132-F186 HydrophobicContact CE1-CZ 4.06Å; F132-F186 HydrophobicContact CE2-CE2 4.28Å; F132-F186 HydrophobicContact CE2-CZ 4.21Å; F132-F186 AromaticContact CZ-CE2 3.46Å; F132-F186 HydrophobicContact CZ-CE2 3.46Å; F132-F186 VanDerWaalsContact CZ-CE2 3.46Å; F132-F186 AromaticContact CZ-CZ 3.84Å; F132-F186 HydrophobicContact CZ-CZ 3.84Å; F132-F257 HydrophobicContact CE1-CD2 4.03Å; F132-F257 AromaticContact CE1-CE2 3.88Å; F132-F257 HydrophobicContact CE1-CE2 3.88Å; F132-F257 HydrophobicContact CE1-CZ 4.37Å; F132-F257 HydrophobicContact CZ-CD2 4.17Å; F132-F257 HydrophobicContact CZ-CE2 4.48Å
133	L	98.8	Very high	98.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-46	178.6	-71.9	179.1	0	0	0	111.4	I129 D130 L135 M136 M137 K163 L166 F167 F171 F257	I129-L133 HydrophobicContact CG2-CD1 4.22Å; I129-L133 HydrophobicContact CG2-CG 4.47Å; I129-L133 WeakPolarHBondContact O-CG 3.17Å; I129-L133 PolarHBondContact O-N 2.88Å; D130-L133 PolarHBondContact O-N 3.02Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.01Å; L133-M136 PolarHBondContact O-N 3.5Å; L133-M137 WeakPolarHBondContact O-CB 3.14Å; L133-M137 WeakPolarHBondContact O-CG 3.3Å; L133-M137 PolarHBondContact O-N 3.26Å; L133-K163 HydrophobicContact CB-CD 4.38Å; L133-K163 HydrophobicContact CB-CG 4.17Å; L133-K163 HydrophobicContact CD1-CG 4.1Å; L133-L166 HydrophobicContact CD1-CB 4.39Å; L133-L166 HydrophobicContact CD2-CB 3.79Å; L133-L166 HydrophobicContact CD2-CD1 4.11Å; L133-F167 HydrophobicContact CD1-CB 4.07Å; L133-F167 HydrophobicContact CD1-CD2 4.44Å; L133-F171 HydrophobicContact CD1-CE2 4.4Å; L133-F171 HydrophobicContact CD2-CE2 3.86Å; L133-F171 HydrophobicContact CG-CE2 4.16Å; L133-F257 HydrophobicContact CD2-CE1 4.48Å; L133-F257 HydrophobicContact CD2-CE2 4.41Å; L133-F257 HydrophobicContact CD2-CZ 3.7Å
134	E	98.7	Very high	98.6	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-44.6	176.9	-71.3	-177.2	165	0	0	112.2	D130 H131 M137 S138 K163	D130-E134 WeakPolarHBondContact O-CG 3.24Å; D130-E134 PolarHBondContact O-N 2.61Å; H131-E134 PolarHBondContact O-N 2.75Å; E134-M137 PolarHBondContact O-N 3.41Å; E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 3.49Å; E134-K163 HydrophobicContact CG-CD 4.09Å; E134-K163 IonicContact OE1-NZ 3.25Å; E134-K163 PolarHBondContact OE1-NZ 3.09Å
135	L	98.6	Very high	98.6	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.188	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-48.6	176.4	-79.5	176.4	0	0	0	111.9	A103 H131 F132 L133 M137 S138 T139	A103-L135 HydrophobicContact CB-CD1 3.52Å; H131-L135 VanDerWaalsContact CE1-CD1 3.45Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.44Å; H131-L135 VanDerWaalsContact NE2-CD1 3.28Å; H131-L135 WeakPolarHBondContact NE2-CD1 3.2Å; H131-L135 WeakPolarHBondContact O-CB 3.38Å; H131-L135 WeakPolarHBondContact O-CG 3.32Å; H131-L135 PolarHBondContact O-N 3.27Å; F132-L135 PolarHBondContact O-N 2.03Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.01Å; L135-M137 VanDerWaalsContact C-N 3.3Å; L135-M137 PolarHBondContact O-N 2.8Å; L135-S138 PolarHBondContact O-N 3.29Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-S138 PolarHBondContact O-OG 2.63Å; L135-T139 VanDerWaalsContact O-CG2 3.28Å; L135-T139 WeakPolarHBondContact O-CG2 3.24Å
136	M	98.8	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-47.3	176.9	-67.6	-47.3	106.1	0	0	110.6	T100 F132 L133 S138 T139 F142 P253 E254 F257	T100-M136 HydrophobicContact CG2-CE 3.57Å; T100-M136 HydrophobicContact CG2-SD 4.45Å; F132-M136 HydrophobicContact CD1-CG 4.12Å; F132-M136 HydrophobicContact CD2-CE 3.78Å; F132-M136 HydrophobicContact CD2-CG 4.37Å; F132-M136 HydrophobicContact CE1-CG 3.58Å; F132-M136 HydrophobicContact CE1-SD 4.5Å; F132-M136 HydrophobicContact CE2-CE 3.47Å; F132-M136 VanDerWaalsContact CE2-CE 3.47Å; F132-M136 HydrophobicContact CE2-CG 3.88Å; F132-M136 HydrophobicContact CE2-SD 3.82Å; F132-M136 HydrophobicContact CG-CG 4.47Å; F132-M136 HydrophobicContact CZ-CE 4.02Å; F132-M136 HydrophobicContact CZ-CG 3.43Å; F132-M136 VanDerWaalsContact CZ-CG 3.43Å; F132-M136 HydrophobicContact CZ-SD 3.76Å; F132-M136 WeakPolarHBondContact O-CG 3.06Å; F132-M136 PolarHBondContact O-N 2.71Å; L133-M136 PolarHBondContact O-N 3.5Å; M136-S138 PolarHBondContact O-N 2.78Å; M136-T139 WeakPolarHBondContact O-CB 3.14Å; M136-T139 PolarHBondContact O-N 3.44Å; M136-T139 VanDerWaalsContact O-N 3.09Å; M136-T139 PolarHBondContact O-OG1 2.79Å; M136-F142 WeakPolarHBondContact O-CB 3.11Å; M136-P253 HydrophobicContact SD-CB 4.33Å; M136-E254 HydrophobicContact SD-CB 3.88Å; M136-F257 HydrophobicContact CB-CD1 3.8Å; M136-F257 HydrophobicContact CB-CE1 3.92Å; M136-F257 HydrophobicContact CG-CD1 3.84Å; M136-F257 HydrophobicContact CG-CE1 4.15Å; M136-F257 HydrophobicContact CG-CG 4.13Å
137	M	98.7	Very high	98.7	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.069	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-28.2	-179.1	-70.3	178.2	69.4	0	0	113.5	L133 E134 L135 T139 F142 S159 M162 K163 L166	L133-M137 WeakPolarHBondContact O-CB 3.14Å; L133-M137 WeakPolarHBondContact O-CG 3.3Å; L133-M137 PolarHBondContact O-N 3.26Å; E134-M137 PolarHBondContact O-N 3.41Å; L135-M137 VanDerWaalsContact C-N 3.3Å; L135-M137 PolarHBondContact O-N 2.8Å; M137-T139 VanDerWaalsContact C-N 3.3Å; M137-T139 PolarHBondContact O-N 3.26Å; M137-F142 VanDerWaalsContact CA-CD1 3.45Å; M137-F142 HydrophobicContact CB-CD1 4.09Å; M137-F142 HydrophobicContact CB-CE1 4.09Å; M137-F142 HydrophobicContact CE-CE1 4.47Å; M137-F142 HydrophobicContact CG-CD1 4.04Å; M137-F142 HydrophobicContact CG-CE1 3.61Å; M137-F142 HydrophobicContact CG-CE2 4.47Å; M137-F142 HydrophobicContact CG-CZ 3.87Å; M137-S159 WeakPolarHBondContact CE-O 3.31Å; M137-S159 WeakPolarHBondContact CE-OG 2.85Å; M137-M162 HydrophobicContact CE-CB 4.01Å; M137-M162 HydrophobicContact CE-CG 3.99Å; M137-K163 HydrophobicContact CE-CB 4.3Å; M137-K163 HydrophobicContact SD-CB 3.78Å; M137-K163 HydrophobicContact SD-CG 4.14Å; M137-L166 HydrophobicContact CG-CD1 3.62Å; M137-L166 HydrophobicContact SD-CD1 3.63Å
138	S	98.4	Very high	98.7	Very high	63 Å²	63	38.1 Å²	38.1	44%	0.441	19%	0.188	S	C	.	.	H	α-helix	trans	-74.4	-17.3	177.3	80.6	0	0	0	0	114	E134 L135 M136 K143	E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 3.49Å; L135-S138 PolarHBondContact O-N 3.29Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-S138 PolarHBondContact O-OG 2.63Å; M136-S138 PolarHBondContact O-N 2.78Å; S138-K143 WeakPolarHBondContact O-CE 3.06Å; S138-K143 PolarHBondContact O-NZ 2.88Å
139	T	98.8	Very high	98.6	Very high	17 Å²	17	35.3 Å²	35.3	10%	0.104	18%	0.176	C	C	.	.	S	Bend	trans	-78.5	156.4	-173.6	70.6	0	0	0	0	113.7	T100 L135 M136 M137 F142 K143 E254	T100-T139 HydrophobicContact CG2-CG2 3.85Å; L135-T139 VanDerWaalsContact O-CG2 3.28Å; L135-T139 WeakPolarHBondContact O-CG2 3.24Å; M136-T139 WeakPolarHBondContact O-CB 3.14Å; M136-T139 PolarHBondContact O-N 3.44Å; M136-T139 VanDerWaalsContact O-N 3.09Å; M136-T139 PolarHBondContact O-OG1 2.79Å; M137-T139 VanDerWaalsContact C-N 3.3Å; M137-T139 PolarHBondContact O-N 3.26Å; T139-F142 PolarHBondContact O-N 2.98Å; T139-F142 WeakPolarHBondContact OG1-CB 3.26Å; T139-F142 PolarHBondContact OG1-N 3.42Å; T139-K143 WeakPolarHBondContact O-CG 2.93Å; T139-K143 PolarHBondContact O-N 3.37Å; T139-E254 HydrophobicContact CG2-CB 3.63Å; T139-E254 HydrophobicContact CG2-CG 3.78Å; T139-E254 WeakPolarHBondContact OG1-CB 3.26Å
140	N	98.8	Very high	98.4	Very high	81 Å²	81	38.7 Å²	38.7	43%	0.433	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-48.1	177.7	-69.2	-27.2	0	0	0	113.1	L56 F142 K143 I144	L56-N140 HydrophobicContact CB-CB 3.93Å; N140-F142 PolarHBondContact O-N 2.9Å; N140-K143 PolarHBondContact O-N 3.38Å; N140-I144 HydrophobicContact CB-CD1 4.49Å; N140-I144 WeakPolarHBondContact O-CD1 3.33Å; N140-I144 VanDerWaalsContact O-CG1 3.25Å; N140-I144 WeakPolarHBondContact O-CG1 3.39Å; N140-I144 PolarHBondContact O-N 3.49Å
141	P	98.8	Very high	98.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-54.1	-41.2	177.5	-28.3	37.6	0	0	0	112.6	M53 D57 A145 E254	M53-P141 HydrophobicContact CB-CB 4.3Å; D57-P141 HydrophobicContact CB-CG 4.15Å; P141-A145 WeakPolarHBondContact O-CB 3.31Å; P141-A145 PolarHBondContact O-N 3.22Å; P141-E254 HydrophobicContact CG-CG 4.04Å
142	F	98.9	Very high	98.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-69.9	-47.3	178.9	-170.3	-86	0	0	0	112.4	M136 M137 T139 N140 I144 A145 W146 M162 L166 F257 S258	M136-F142 WeakPolarHBondContact O-CB 3.11Å; M137-F142 VanDerWaalsContact CA-CD1 3.45Å; M137-F142 HydrophobicContact CB-CD1 4.09Å; M137-F142 HydrophobicContact CB-CE1 4.09Å; M137-F142 HydrophobicContact CE-CE1 4.47Å; M137-F142 HydrophobicContact CG-CD1 4.04Å; M137-F142 HydrophobicContact CG-CE1 3.61Å; M137-F142 HydrophobicContact CG-CE2 4.47Å; M137-F142 HydrophobicContact CG-CZ 3.87Å; T139-F142 PolarHBondContact O-N 2.98Å; T139-F142 WeakPolarHBondContact OG1-CB 3.26Å; T139-F142 PolarHBondContact OG1-N 3.42Å; N140-F142 PolarHBondContact O-N 2.9Å; F142-I144 PolarHBondContact O-N 3.49Å; F142-A145 PolarHBondContact O-N 2.98Å; F142-A145 VanDerWaalsContact O-N 3.13Å; F142-W146 HydrophobicContact CD1-CB 4.12Å; F142-W146 HydrophobicContact CE1-CB 3.78Å; F142-W146 HydrophobicContact CE1-CD2 4.22Å; F142-W146 HydrophobicContact CE1-CE3 4.19Å; F142-W146 HydrophobicContact CE1-CG 4.07Å; F142-W146 HydrophobicContact CZ-CB 4.42Å; F142-W146 VanDerWaalsContact O-CB 3.31Å; F142-W146 WeakPolarHBondContact O-CB 3.37Å; F142-W146 PolarHBondContact O-N 2.87Å; F142-M162 HydrophobicContact CE1-CE 4.42Å; F142-M162 HydrophobicContact CE2-CE 4.38Å; F142-M162 HydrophobicContact CZ-CE 3.59Å; F142-M162 HydrophobicContact CZ-CG 4.33Å; F142-L166 HydrophobicContact CE2-CD1 3.83Å; F142-L166 HydrophobicContact CE2-CD2 3.95Å; F142-L166 HydrophobicContact CE2-CG 4.48Å; F142-L166 HydrophobicContact CZ-CD1 3.57Å; F142-L166 HydrophobicContact CZ-CD2 4.09Å; F142-L166 HydrophobicContact CZ-CG 4.27Å; F142-F257 HydrophobicContact CD2-CD1 4.04Å; F142-F257 HydrophobicContact CD2-CE1 4.06Å; F142-F257 HydrophobicContact CE2-CD1 4.23Å; F142-F257 AromaticContact CE2-CE1 3.82Å; F142-F257 HydrophobicContact CE2-CE1 3.82Å; F142-S258 WeakPolarHBondContact CA-OG 3.41Å; F142-S258 VanDerWaalsContact CB-OG 3.31Å; F142-S258 WeakPolarHBondContact CB-OG 3.24Å; F142-S258 PolarHBondContact N-OG 3.17Å; F142-S258 VanDerWaalsContact N-OG 3.11Å
143	K	98.8	Very high	97.8	Very high	105 Å²	105	42.3 Å²	42.3	46%	0.457	21%	0.212	S	C	.	.	H	α-helix	trans	-56.2	-40.1	178.2	-74.8	168.1	173.7	163.8	0	112.2	S138 T139 N140 E147	S138-K143 WeakPolarHBondContact O-CE 3.06Å; S138-K143 PolarHBondContact O-NZ 2.88Å; T139-K143 WeakPolarHBondContact O-CG 2.93Å; T139-K143 PolarHBondContact O-N 3.37Å; N140-K143 PolarHBondContact O-N 3.38Å; K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 PolarHBondContact O-N 3.02Å
144	I	98.8	Very high	97.6	Very high	27 Å²	27	43 Å²	43	14%	0.138	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-47.1	176.6	-64.8	153	0	0	0	111.1	T49 L52 M53 L56 N140 F142 W146 E147 F148	T49-I144 HydrophobicContact CG2-CG2 3.86Å; L52-I144 HydrophobicContact CB-CG2 4.35Å; L52-I144 HydrophobicContact CD2-CD1 4.46Å; L52-I144 HydrophobicContact CD2-CG1 4.33Å; L52-I144 HydrophobicContact CD2-CG2 4.01Å; L52-I144 HydrophobicContact CG-CD1 4.02Å; L52-I144 HydrophobicContact CG-CG1 4.42Å; L52-I144 HydrophobicContact CG-CG2 4.23Å; M53-I144 HydrophobicContact CG-CB 3.93Å; M53-I144 HydrophobicContact CG-CG2 3.66Å; L56-I144 HydrophobicContact CB-CD1 4.07Å; L56-I144 HydrophobicContact CD1-CD1 3.63Å; L56-I144 HydrophobicContact CG-CD1 4.41Å; N140-I144 HydrophobicContact CB-CD1 4.49Å; N140-I144 WeakPolarHBondContact O-CD1 3.33Å; N140-I144 VanDerWaalsContact O-CG1 3.25Å; N140-I144 WeakPolarHBondContact O-CG1 3.39Å; N140-I144 PolarHBondContact O-N 3.49Å; F142-I144 PolarHBondContact O-N 3.49Å; I144-W146 VanDerWaalsContact C-N 3.34Å; I144-E147 PolarHBondContact O-N 3.27Å; I144-F148 PolarHBondContact O-N 3.42Å; I144-F148 VanDerWaalsContact O-N 3.14Å
145	A	98.7	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.6	0	0	0	0	0	111.4	M53 P141 F142 F148 I149 L262	M53-A145 HydrophobicContact CE-CB 4.02Å; M53-A145 HydrophobicContact SD-CB 3.94Å; P141-A145 WeakPolarHBondContact O-CB 3.31Å; P141-A145 PolarHBondContact O-N 3.22Å; F142-A145 PolarHBondContact O-N 2.98Å; F142-A145 VanDerWaalsContact O-N 3.13Å; A145-F148 WeakPolarHBondContact O-CB 3.33Å; A145-F148 PolarHBondContact O-N 2.87Å; A145-I149 WeakPolarHBondContact O-CG1 3.42Å; A145-I149 PolarHBondContact O-N 3.37Å; A145-I149 VanDerWaalsContact O-N 3.09Å; A145-L262 HydrophobicContact CB-CB 4.26Å; A145-L262 HydrophobicContact CB-CD1 4.14Å
146	W	98.6	Very high	97.4	Very high	37 Å²	37	38.6 Å²	38.6	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-43.8	179.8	-174.6	27.1	0	0	0	111.9	F142 I144 F148 I149 R150 P156 R157 M162	F142-W146 HydrophobicContact CD1-CB 4.12Å; F142-W146 HydrophobicContact CE1-CB 3.78Å; F142-W146 HydrophobicContact CE1-CD2 4.22Å; F142-W146 HydrophobicContact CE1-CE3 4.19Å; F142-W146 HydrophobicContact CE1-CG 4.07Å; F142-W146 HydrophobicContact CZ-CB 4.42Å; F142-W146 VanDerWaalsContact O-CB 3.31Å; F142-W146 WeakPolarHBondContact O-CB 3.37Å; F142-W146 PolarHBondContact O-N 2.87Å; I144-W146 VanDerWaalsContact C-N 3.34Å; W146-F148 VanDerWaalsContact C-N 3.26Å; W146-F148 PolarHBondContact O-N 3.41Å; W146-I149 VanDerWaalsContact O-CG1 3.3Å; W146-I149 WeakPolarHBondContact O-CG1 3.44Å; W146-I149 PolarHBondContact O-N 3.32Å; W146-R150 VanDerWaalsContact O-CB 3.26Å; W146-R150 WeakPolarHBondContact O-CB 3.37Å; W146-R150 WeakPolarHBondContact O-CG 3.43Å; W146-R150 PolarHBondContact O-N 2.91Å; W146-P156 PolarHBondContact NE1-O 2.97Å; W146-R157 WeakPolarHBondContact CZ2-O 3.36Å; W146-M162 HydrophobicContact CD2-CG 4.14Å; W146-M162 HydrophobicContact CG-CG 4.35Å; W146-M162 HydrophobicContact CH2-CB 4.44Å; W146-M162 HydrophobicContact CZ2-CB 3.67Å; W146-M162 HydrophobicContact CZ2-CG 4.02Å
147	E	98.5	Very high	97.2	Very high	93 Å²	93	45.6 Å²	45.6	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-53.3	-46.9	172.1	-172.9	61.7	-149.2	0	0	111.6	K143 I144 R150 S151	K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 PolarHBondContact O-N 3.02Å; I144-E147 PolarHBondContact O-N 3.27Å; E147-R150 IonicContact OE1-CZ 2.7Å; E147-R150 IonicContact OE1-NE 3.59Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 2.74Å; E147-R150 IonicContact OE2-CZ 3.95Å; E147-R150 IonicContact OE2-NE 2.77Å; E147-R150 PolarHBondContact OE2-NE 2.87Å; E147-R150 IonicContact OE2-NH2 2.77Å; E147-R150 PolarHBondContact OE2-NH2 3.41Å; E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.3Å; E147-S151 PolarHBondContact O-N 3.3Å
148	F	98.1	Very high	97.1	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-45.3	-177.9	179	-94.5	0	0	0	113.1	I41 E45 I46 T49 I144 A145 W146 S151 R152 L262 T266	I41-F148 HydrophobicContact CG2-CE1 4.28Å; I41-F148 HydrophobicContact CG2-CZ 3.91Å; E45-F148 HydrophobicContact CB-CE2 3.93Å; E45-F148 HydrophobicContact CB-CZ 4.03Å; I46-F148 HydrophobicContact CG1-CE1 4.17Å; I46-F148 HydrophobicContact CG1-CZ 4.11Å; T49-F148 HydrophobicContact CG2-CB 3.74Å; T49-F148 HydrophobicContact CG2-CD1 4.5Å; T49-F148 HydrophobicContact CG2-CD2 4.11Å; T49-F148 HydrophobicContact CG2-CG 3.87Å; T49-F148 WeakPolarHBondContact OG1-CD2 3.4Å; T49-F148 VanDerWaalsContact OG1-CE2 3.28Å; T49-F148 WeakPolarHBondContact OG1-CE2 3.5Å; I144-F148 PolarHBondContact O-N 3.42Å; I144-F148 VanDerWaalsContact O-N 3.14Å; A145-F148 WeakPolarHBondContact O-CB 3.33Å; A145-F148 PolarHBondContact O-N 2.87Å; W146-F148 VanDerWaalsContact C-N 3.26Å; W146-F148 PolarHBondContact O-N 3.41Å; F148-S151 PolarHBondContact O-OG 2.75Å; F148-R152 VanDerWaalsContact CE2-NH2 3.25Å; F148-R152 PolarHBondContact O-NH1 2.8Å; F148-L262 HydrophobicContact CD1-CD1 3.93Å; F148-L262 HydrophobicContact CD1-CG 4.29Å; F148-L262 HydrophobicContact CG-CD1 4.49Å; F148-T266 HydrophobicContact CE1-CG2 4.24Å
149	I	97	Very high	97.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-76.2	-37.9	-178.8	60.2	-175.8	0	0	0	111.9	A145 W146 S151 R152 L154 A155 M162 L262 L265 T266	A145-I149 WeakPolarHBondContact O-CG1 3.42Å; A145-I149 PolarHBondContact O-N 3.37Å; A145-I149 VanDerWaalsContact O-N 3.09Å; W146-I149 VanDerWaalsContact O-CG1 3.3Å; W146-I149 WeakPolarHBondContact O-CG1 3.44Å; W146-I149 PolarHBondContact O-N 3.32Å; I149-S151 PolarHBondContact O-N 2.79Å; I149-R152 PolarHBondContact O-N 2.56Å; I149-L154 HydrophobicContact CB-CB 4.32Å; I149-L154 WeakPolarHBondContact O-CB 3.38Å; I149-L154 PolarHBondContact O-N 3.29Å; I149-L154 VanDerWaalsContact O-N 3.09Å; I149-A155 HydrophobicContact CB-CB 4.27Å; I149-A155 HydrophobicContact CD1-CB 3.7Å; I149-A155 HydrophobicContact CG1-CB 3.64Å; I149-M162 HydrophobicContact CD1-CE 3.97Å; I149-L262 HydrophobicContact CG2-CG 4.26Å; I149-L265 HydrophobicContact CD1-CD1 3.74Å; I149-T266 HydrophobicContact CG2-CG2 3.73Å
150	R	95.6	Very high	97.1	Very high	70 Å²	70	52.9 Å²	52.9	26%	0.264	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-30.8	179.7	82.3	-169.6	-172.7	84.2	4.9	112.2	W146 E147 R152 D153	W146-R150 VanDerWaalsContact O-CB 3.26Å; W146-R150 WeakPolarHBondContact O-CB 3.37Å; W146-R150 WeakPolarHBondContact O-CG 3.43Å; W146-R150 PolarHBondContact O-N 2.91Å; E147-R150 IonicContact OE1-CZ 2.7Å; E147-R150 IonicContact OE1-NE 3.59Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 2.74Å; E147-R150 IonicContact OE2-CZ 3.95Å; E147-R150 IonicContact OE2-NE 2.77Å; E147-R150 PolarHBondContact OE2-NE 2.87Å; E147-R150 IonicContact OE2-NH2 2.77Å; E147-R150 PolarHBondContact OE2-NH2 3.41Å; R150-R152 PolarHBondContact O-N 3.06Å; R150-R152 VanDerWaalsContact O-N 3.15Å; R150-D153 PolarHBondContact O-N 2.77Å
151	S	95.6	Very high	97	Very high	67 Å²	67	54.8 Å²	54.8	47%	0.469	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.4	175.2	86.8	0	0	0	0	113.5	E147 F148 I149	E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.3Å; E147-S151 PolarHBondContact O-N 3.3Å; F148-S151 PolarHBondContact O-OG 2.75Å; I149-S151 PolarHBondContact O-N 2.79Å
152	R	94	Very high	97	Very high	73 Å²	73	54.7 Å²	54.7	28%	0.275	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	11.9	179.3	-67.9	166.9	177	67.5	6.5	111.8	E45 F148 I149 R150 L154	E45-R152 IonicContact OE1-CZ 3.22Å; E45-R152 IonicContact OE1-NE 3.78Å; E45-R152 IonicContact OE1-NH2 2.72Å; E45-R152 PolarHBondContact OE1-NH2 3Å; F148-R152 VanDerWaalsContact CE2-NH2 3.25Å; F148-R152 PolarHBondContact O-NH1 2.8Å; I149-R152 PolarHBondContact O-N 2.56Å; R150-R152 PolarHBondContact O-N 3.06Å; R150-R152 VanDerWaalsContact O-N 3.15Å; R152-L154 HydrophobicContact CB-CD1 4.09Å; R152-L154 HydrophobicContact CB-CG 3.97Å; R152-L154 WeakPolarHBondContact O-CG 3.3Å; R152-L154 PolarHBondContact O-N 3Å
153	D	93.3	Very high	97	Very high	92 Å²	92	56 Å²	56	49%	0.492	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.5	-178.1	-58.4	-64.5	0	0	0	114	Y31 R150 R157	Y31-D153 PolarHBondContact OH-O 2.71Å; R150-D153 PolarHBondContact O-N 2.77Å; D153-R157 IonicContact OD1-CZ 2.71Å; D153-R157 IonicContact OD1-NH1 3.29Å; D153-R157 PolarHBondContact OD1-NH1 3.48Å; D153-R157 IonicContact OD1-NH2 3.82Å; D153-R157 PolarHBondContact OD1-NH2 2.61Å; D153-R157 IonicContact OD2-NH2 3.48Å
154	L	93.9	Very high	97	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.079	26%	0.262	C	S	.	.	S	Bend	trans	-93	-3.2	179	-57.2	180	0	0	0	113.7	Y31 L36 I41 I149 R152 T266	Y31-L154 WeakPolarHBondContact OH-CA 3.35Å; L36-L154 HydrophobicContact CD2-CD2 3.22Å; I41-L154 HydrophobicContact CD1-CD1 3.42Å; I41-L154 VanDerWaalsContact CD1-CD1 3.42Å; I149-L154 HydrophobicContact CB-CB 4.32Å; I149-L154 WeakPolarHBondContact O-CB 3.38Å; I149-L154 PolarHBondContact O-N 3.29Å; I149-L154 VanDerWaalsContact O-N 3.09Å; R152-L154 HydrophobicContact CB-CD1 4.09Å; R152-L154 HydrophobicContact CB-CG 3.97Å; R152-L154 WeakPolarHBondContact O-CG 3.3Å; R152-L154 PolarHBondContact O-N 3Å; L154-T266 HydrophobicContact CD1-CG2 3.86Å
155	A	95.7	Very high	96.9	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	26%	0.259	C	S	.	.	S	Bend	trans	-153.4	153.4	178.6	0	0	0	0	0	110.4	I149 M162 L165	I149-A155 HydrophobicContact CB-CB 4.27Å; I149-A155 HydrophobicContact CD1-CB 3.7Å; I149-A155 HydrophobicContact CG1-CB 3.64Å; A155-M162 HydrophobicContact CB-CE 4.49Å; A155-M162 HydrophobicContact CB-SD 3.9Å; A155-L165 HydrophobicContact CB-CD2 4.48Å
156	P	96.9	Very high	96.9	Very high	31 Å²	31	52.4 Å²	52.4	20%	0.201	26%	0.258	C	S	.	.			trans	-55.1	147.5	173.6	-25.8	34.7	0	0	0	112.7	W146 H161 L165	W146-P156 PolarHBondContact NE1-O 2.97Å; P156-H161 HydrophobicContact CB-CB 3.6Å; P156-H161 HydrophobicContact CG-CB 3.88Å; P156-L165 HydrophobicContact CG-CD2 4.43Å
157	R	96.1	Very high	96.9	Very high	148 Å²	148	53 Å²	53	56%	0.558	26%	0.261	S	S	*	.	S	Bend	trans	-84.7	-29.7	178.3	-72.3	-178.6	171	79.7	3.6	112.6	W146 D153	W146-R157 WeakPolarHBondContact CZ2-O 3.36Å; D153-R157 IonicContact OD1-CZ 2.71Å; D153-R157 IonicContact OD1-NH1 3.29Å; D153-R157 PolarHBondContact OD1-NH1 3.48Å; D153-R157 IonicContact OD1-NH2 3.82Å; D153-R157 PolarHBondContact OD1-NH2 2.61Å; D153-R157 IonicContact OD2-NH2 3.48Å
158	D	96.5	Very high	96.9	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	24%	0.243	S	C	.	.	S	Bend	trans	-89.7	153.3	178.1	69.5	94.2	0	0	0	111.5	E160 H161 M162	D158-E160 PolarHBondContact OD1-N 2.69Å; D158-H161 WeakPolarHBondContact OD1-CB 3.46Å; D158-H161 IonicContact OD1-CE1 2.69Å; D158-H161 IonicContact OD1-CG 3.77Å; D158-H161 PolarHBondContact OD1-N 2.82Å; D158-H161 IonicContact OD1-ND1 3.92Å; D158-H161 PolarHBondContact OD1-ND1 3.42Å; D158-H161 IonicContact OD2-CE1 3Å; D158-H161 IonicContact OD2-CG 3.02Å; D158-H161 IonicContact OD2-ND1 2.68Å; D158-H161 PolarHBondContact OD2-ND1 2.83Å; D158-M162 WeakPolarHBondContact O-CB 2.93Å; D158-M162 PolarHBondContact O-N 2.89Å; D158-M162 VanDerWaalsContact O-N 3.14Å
159	S	97.5	Very high	96.9	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-35.7	-172.9	-168.5	0	0	0	0	112.7	M137 M162 K163	M137-S159 WeakPolarHBondContact CE-O 3.31Å; M137-S159 WeakPolarHBondContact CE-OG 2.85Å; S159-M162 PolarHBondContact O-N 3.42Å; S159-K163 WeakPolarHBondContact O-CB 3.29Å; S159-K163 PolarHBondContact O-N 3.37Å
160	E	98.1	Very high	96.9	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-70.7	-47.5	-175.4	-66.1	-53.6	122.2	0	0	111.3	D158 M162 K163 S164	D158-E160 PolarHBondContact OD1-N 2.69Å; E160-M162 VanDerWaalsContact C-N 3.3Å; E160-M162 PolarHBondContact O-N 2.85Å; E160-K163 PolarHBondContact O-N 3.34Å; E160-S164 PolarHBondContact O-N 3.42Å
161	H	98.1	Very high	97.1	Very high	120 Å²	120	44.9 Å²	44.9	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-67.1	-32.7	174.6	-64	120.3	0	0	0	111.8	P156 D158 S164 L165	P156-H161 HydrophobicContact CB-CB 3.6Å; P156-H161 HydrophobicContact CG-CB 3.88Å; D158-H161 WeakPolarHBondContact OD1-CB 3.46Å; D158-H161 IonicContact OD1-CE1 2.69Å; D158-H161 IonicContact OD1-CG 3.77Å; D158-H161 PolarHBondContact OD1-N 2.82Å; D158-H161 IonicContact OD1-ND1 3.92Å; D158-H161 PolarHBondContact OD1-ND1 3.42Å; D158-H161 IonicContact OD2-CE1 3Å; D158-H161 IonicContact OD2-CG 3.02Å; D158-H161 IonicContact OD2-ND1 2.68Å; D158-H161 PolarHBondContact OD2-ND1 2.83Å; H161-S164 PolarHBondContact O-N 2.81Å; H161-L165 WeakPolarHBondContact O-CB 2.88Å; H161-L165 PolarHBondContact O-N 3.34Å
162	M	98.3	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-43.7	172.1	-175.1	61.7	-170.7	0	0	111.3	M137 F142 W146 I149 A155 D158 S159 E160 S164 L165 L166 T261	M137-M162 HydrophobicContact CE-CB 4.01Å; M137-M162 HydrophobicContact CE-CG 3.99Å; F142-M162 HydrophobicContact CE1-CE 4.42Å; F142-M162 HydrophobicContact CE2-CE 4.38Å; F142-M162 HydrophobicContact CZ-CE 3.59Å; F142-M162 HydrophobicContact CZ-CG 4.33Å; W146-M162 HydrophobicContact CD2-CG 4.14Å; W146-M162 HydrophobicContact CG-CG 4.35Å; W146-M162 HydrophobicContact CH2-CB 4.44Å; W146-M162 HydrophobicContact CZ2-CB 3.67Å; W146-M162 HydrophobicContact CZ2-CG 4.02Å; I149-M162 HydrophobicContact CD1-CE 3.97Å; A155-M162 HydrophobicContact CB-CE 4.49Å; A155-M162 HydrophobicContact CB-SD 3.9Å; D158-M162 WeakPolarHBondContact O-CB 2.93Å; D158-M162 PolarHBondContact O-N 2.89Å; D158-M162 VanDerWaalsContact O-N 3.14Å; S159-M162 PolarHBondContact O-N 3.42Å; E160-M162 VanDerWaalsContact C-N 3.3Å; E160-M162 PolarHBondContact O-N 2.85Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 3.05Å; M162-L165 PolarHBondContact O-N 2.86Å; M162-L165 HydrophobicContact SD-CD2 4.22Å; M162-L166 HydrophobicContact CE-CD2 3.79Å; M162-L166 HydrophobicContact CE-CG 4.02Å; M162-L166 VanDerWaalsContact O-CG 3.31Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 3.34Å; M162-T261 HydrophobicContact CE-CG2 4.37Å
163	K	98.6	Very high	97.2	Very high	29 Å²	29	40.7 Å²	40.7	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-41.7	175.5	-171.6	167.6	65.4	162.5	0	111.2	D130 L133 E134 M137 S159 E160 L166 F167	D130-K163 WeakPolarHBondContact OD1-CE 3.25Å; D130-K163 IonicContact OD1-NZ 2.79Å; D130-K163 PolarHBondContact OD1-NZ 2.8Å; D130-K163 IonicContact OD2-NZ 2.8Å; L133-K163 HydrophobicContact CB-CD 4.38Å; L133-K163 HydrophobicContact CB-CG 4.17Å; L133-K163 HydrophobicContact CD1-CG 4.1Å; E134-K163 HydrophobicContact CG-CD 4.09Å; E134-K163 IonicContact OE1-NZ 3.25Å; E134-K163 PolarHBondContact OE1-NZ 3.09Å; M137-K163 HydrophobicContact CE-CB 4.3Å; M137-K163 HydrophobicContact SD-CB 3.78Å; M137-K163 HydrophobicContact SD-CG 4.14Å; S159-K163 WeakPolarHBondContact O-CB 3.29Å; S159-K163 PolarHBondContact O-N 3.37Å; E160-K163 PolarHBondContact O-N 3.34Å; K163-L166 PolarHBondContact O-N 3.06Å; K163-F167 PolarHBondContact O-N 3.3Å
164	S	98.1	Very high	97.3	Very high	43 Å²	43	36.3 Å²	36.3	30%	0.301	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-42.6	174.5	-176.8	0	0	0	0	112.8	E160 H161 M162 F167 T168	E160-S164 PolarHBondContact O-N 3.42Å; H161-S164 PolarHBondContact O-N 2.81Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 3.05Å; S164-F167 PolarHBondContact O-N 3.11Å; S164-T168 WeakPolarHBondContact O-CB 3.28Å; S164-T168 PolarHBondContact O-N 3.21Å; S164-T168 PolarHBondContact O-OG1 3.21Å
165	L	97.9	Very high	97.3	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-46.4	173.1	176.7	63.5	0	0	0	111	A155 P156 H161 M162 F167 T168 I169 L265	A155-L165 HydrophobicContact CB-CD2 4.48Å; P156-L165 HydrophobicContact CG-CD2 4.43Å; H161-L165 WeakPolarHBondContact O-CB 2.88Å; H161-L165 PolarHBondContact O-N 3.34Å; M162-L165 PolarHBondContact O-N 2.86Å; M162-L165 HydrophobicContact SD-CD2 4.22Å; L165-F167 VanDerWaalsContact C-N 3.35Å; L165-F167 PolarHBondContact O-N 2.8Å; L165-T168 WeakPolarHBondContact O-CB 3.45Å; L165-T168 PolarHBondContact O-N 3.15Å; L165-T168 VanDerWaalsContact O-N 3.17Å; L165-I169 HydrophobicContact CD1-CG2 3.69Å; L165-I169 HydrophobicContact CG-CG2 4.25Å; L165-I169 WeakPolarHBondContact O-CG2 3.12Å; L165-I169 PolarHBondContact O-N 3.5Å; L165-L265 HydrophobicContact CD2-CD1 4.14Å; L165-L265 HydrophobicContact CD2-CD2 4.46Å
166	L	98.7	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-45.7	177.2	-69.6	175.8	0	0	0	111.7	L133 M137 F142 M162 K163 T168 I169 W170 F257 T261	L133-L166 HydrophobicContact CD1-CB 4.39Å; L133-L166 HydrophobicContact CD2-CB 3.79Å; L133-L166 HydrophobicContact CD2-CD1 4.11Å; M137-L166 HydrophobicContact CG-CD1 3.62Å; M137-L166 HydrophobicContact SD-CD1 3.63Å; F142-L166 HydrophobicContact CE2-CD1 3.83Å; F142-L166 HydrophobicContact CE2-CD2 3.95Å; F142-L166 HydrophobicContact CE2-CG 4.48Å; F142-L166 HydrophobicContact CZ-CD1 3.57Å; F142-L166 HydrophobicContact CZ-CD2 4.09Å; F142-L166 HydrophobicContact CZ-CG 4.27Å; M162-L166 HydrophobicContact CE-CD2 3.79Å; M162-L166 HydrophobicContact CE-CG 4.02Å; M162-L166 VanDerWaalsContact O-CG 3.31Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 3.34Å; K163-L166 PolarHBondContact O-N 3.06Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 3.35Å; L166-I169 HydrophobicContact CD2-CD1 4.32Å; L166-I169 PolarHBondContact O-N 2.65Å; L166-W170 VanDerWaalsContact O-CB 3.29Å; L166-W170 WeakPolarHBondContact O-CB 3.48Å; L166-W170 PolarHBondContact O-N 2.94Å; L166-F257 HydrophobicContact CD1-CE1 4.17Å; L166-F257 HydrophobicContact CD1-CZ 4.32Å; L166-F257 HydrophobicContact CD2-CE1 4.04Å; L166-F257 HydrophobicContact CD2-CZ 3.98Å; L166-T261 HydrophobicContact CD2-CG2 3.8Å
167	F	98.5	Very high	96.7	Very high	48 Å²	48	39 Å²	39	21%	0.211	20%	0.195	C	C	.	.	I	π-helix	trans	-56	-48.2	174.5	-175.2	-85.8	0	0	0	110.4	V26 W121 L126 I129 L133 K163 S164 L165 F171 G172	V26-F167 HydrophobicContact CG2-CE1 4.39Å; W121-F167 HydrophobicContact CZ3-CZ 4.45Å; L126-F167 HydrophobicContact CD2-CE2 4.18Å; L126-F167 HydrophobicContact CD2-CZ 4.19Å; I129-F167 HydrophobicContact CD1-CE2 4.46Å; I129-F167 HydrophobicContact CG2-CD2 3.85Å; I129-F167 HydrophobicContact CG2-CE2 3.93Å; L133-F167 HydrophobicContact CD1-CB 4.07Å; L133-F167 HydrophobicContact CD1-CD2 4.44Å; K163-F167 PolarHBondContact O-N 3.3Å; S164-F167 PolarHBondContact O-N 3.11Å; L165-F167 VanDerWaalsContact C-N 3.35Å; L165-F167 PolarHBondContact O-N 2.8Å; F167-F171 HydrophobicContact CD2-CB 4.14Å; F167-F171 HydrophobicContact CE2-CB 4.1Å; F167-F171 HydrophobicContact CG-CB 4.43Å; F167-F171 HydrophobicContact CZ-CB 4.34Å; F167-F171 CarbonylContact O-C 3.58Å; F167-F171 VanDerWaalsContact O-CA 3.29Å; F167-F171 WeakPolarHBondContact O-CA 3.22Å; F167-F171 WeakPolarHBondContact O-CB 3.45Å; F167-F171 PolarHBondContact O-N 3.2Å; F167-G172 PolarHBondContact O-N 3.18Å; F167-G172 VanDerWaalsContact O-N 3.15Å
168	T	97.7	Very high	96.1	Very high	7 Å²	7	40 Å²	40	4%	0.043	21%	0.207	C	C	.	.	I	π-helix	trans	-59.4	-54.2	179.7	-59.9	0	0	0	0	111.9	P29 S164 L165 L166 W170 G172 P293 Y294	P29-T168 HydrophobicContact CG-CG2 4.2Å; S164-T168 WeakPolarHBondContact O-CB 3.28Å; S164-T168 PolarHBondContact O-N 3.21Å; S164-T168 PolarHBondContact O-OG1 3.21Å; L165-T168 WeakPolarHBondContact O-CB 3.45Å; L165-T168 PolarHBondContact O-N 3.15Å; L165-T168 VanDerWaalsContact O-N 3.17Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 3.35Å; T168-W170 PolarHBondContact O-N 3.15Å; T168-G172 WeakPolarHBondContact O-CA 3.43Å; T168-G172 PolarHBondContact O-N 3.46Å; T168-P293 HydrophobicContact CG2-CG 3.93Å; T168-Y294 HydrophobicContact CG2-CD1 4.16Å; T168-Y294 HydrophobicContact CG2-CE1 3.81Å; T168-Y294 WeakPolarHBondContact O-CD1 3.47Å
169	I	98.2	Very high	95.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	I	π-helix	trans	-72	-32.5	-171.9	71.9	-177.7	0	0	0	112.5	L165 L166 T261 F264 P293 I295	L165-I169 HydrophobicContact CD1-CG2 3.69Å; L165-I169 HydrophobicContact CG-CG2 4.25Å; L165-I169 WeakPolarHBondContact O-CG2 3.12Å; L165-I169 PolarHBondContact O-N 3.5Å; L166-I169 HydrophobicContact CD2-CD1 4.32Å; L166-I169 PolarHBondContact O-N 2.65Å; I169-T261 HydrophobicContact CD1-CG2 4.17Å; I169-F264 HydrophobicContact CB-CD1 4.39Å; I169-F264 HydrophobicContact CB-CE1 3.97Å; I169-F264 HydrophobicContact CD1-CD1 4.2Å; I169-F264 HydrophobicContact CG2-CD1 4.49Å; I169-F264 HydrophobicContact CG2-CE1 3.91Å; I169-P293 WeakPolarHBondContact CA-O 3.23Å; I169-P293 WeakPolarHBondContact CB-O 3.3Å; I169-P293 HydrophobicContact CG2-CB 4.25Å; I169-P293 HydrophobicContact CG2-CG 4.43Å; I169-P293 WeakPolarHBondContact CG2-O 3.24Å; I169-I295 HydrophobicContact CB-CD1 4.27Å; I169-I295 HydrophobicContact CB-CG1 4.3Å; I169-I295 HydrophobicContact CD1-CD1 4.29Å; I169-I295 HydrophobicContact CG1-CD1 4.06Å; I169-I295 WeakPolarHBondContact O-CB 3.48Å; I169-I295 WeakPolarHBondContact O-CG1 3.4Å; I169-I295 PolarHBondContact O-N 3.09Å
170	W	98.6	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-97	-43.8	-175.3	-74.1	108.9	0	0	0	113.2	L166 T168 S184 G185 F186 V189 F190 F257 F260 T261 I295 T298	L166-W170 VanDerWaalsContact O-CB 3.29Å; L166-W170 WeakPolarHBondContact O-CB 3.48Å; L166-W170 PolarHBondContact O-N 2.94Å; T168-W170 PolarHBondContact O-N 3.15Å; W170-S184 WeakPolarHBondContact O-CB 3.4Å; W170-G185 CarbonylContact O-C 3.44Å; W170-G185 WeakPolarHBondContact O-CA 3.45Å; W170-G185 PolarHBondContact O-N 3.2Å; W170-F186 HydrophobicContact CB-CB 4.26Å; W170-F186 HydrophobicContact CE3-CB 4.3Å; W170-F186 HydrophobicContact CE3-CD2 4.4Å; W170-F186 WeakPolarHBondContact O-CB 3.2Å; W170-F186 PolarHBondContact O-N 3.26Å; W170-V189 HydrophobicContact CH2-CG1 4.36Å; W170-V189 HydrophobicContact CZ3-CB 3.94Å; W170-V189 HydrophobicContact CZ3-CG1 4.13Å; W170-V189 HydrophobicContact CZ3-CG2 4Å; W170-F190 HydrophobicContact CE3-CE2 4.37Å; W170-F190 AromaticContact CH2-CE2 3.76Å; W170-F190 HydrophobicContact CH2-CE2 3.76Å; W170-F190 HydrophobicContact CZ2-CE2 4.47Å; W170-F190 HydrophobicContact CZ3-CD2 4.11Å; W170-F190 AromaticContact CZ3-CE2 3.71Å; W170-F190 HydrophobicContact CZ3-CE2 3.71Å; W170-F257 AromaticContact CD1-CE2 3.4Å; W170-F257 VanDerWaalsContact CD1-CE2 3.4Å; W170-F257 AromaticContact CD1-CZ 3.54Å; W170-F257 HydrophobicContact CD2-CD2 4.33Å; W170-F257 AromaticContact CD2-CE2 3.84Å; W170-F257 HydrophobicContact CD2-CE2 3.84Å; W170-F257 AromaticContact CE2-CD2 3.93Å; W170-F257 AromaticContact CE2-CE2 3.65Å; W170-F257 AromaticContact CG-CE2 3.71Å; W170-F257 HydrophobicContact CG-CE2 3.71Å; W170-F257 HydrophobicContact CG-CZ 4.25Å; W170-F257 HydrophobicContact CZ2-CD2 4.21Å; W170-F257 HydrophobicContact CZ2-CE2 4.38Å; W170-F257 AromaticContact NE1-CD2 4Å; W170-F257 AromaticContact NE1-CE2 3.36Å; W170-F257 AromaticContact NE1-CZ 3.58Å; W170-F260 HydrophobicContact CH2-CB 3.67Å; W170-F260 HydrophobicContact CH2-CD2 4.21Å; W170-F260 HydrophobicContact CH2-CG 4.46Å; W170-F260 HydrophobicContact CZ2-CB 3.82Å; W170-T261 PolarHBondContact NE1-OG1 3.46Å; W170-I295 HydrophobicContact CD2-CD1 3.55Å; W170-I295 VanDerWaalsContact CE2-CD1 3.48Å; W170-I295 HydrophobicContact CE3-CD1 3.73Å; W170-I295 HydrophobicContact CG-CD1 4.18Å; W170-I295 HydrophobicContact CH2-CD1 3.84Å; W170-I295 HydrophobicContact CZ2-CD1 3.65Å; W170-I295 HydrophobicContact CZ3-CD1 3.87Å; W170-T298 HydrophobicContact CH2-CG2 3.57Å; W170-T298 HydrophobicContact CZ2-CG2 4.45Å; W170-T298 HydrophobicContact CZ3-CG2 4.06Å
171	F	98	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.209	C	C	.	.	I	π-helix	trans	-108.8	-1.3	-172	-61	-87.2	0	0	0	113.2	V107 F111 W121 I129 F132 L133 F167 L173 F186	V107-F171 HydrophobicContact CG1-CE1 3.91Å; V107-F171 HydrophobicContact CG1-CZ 4.31Å; F111-F171 HydrophobicContact CZ-CD1 4.14Å; F111-F171 AromaticContact CZ-CE1 3.99Å; F111-F171 HydrophobicContact CZ-CE1 3.99Å; W121-F171 HydrophobicContact CH2-CB 4.09Å; W121-F171 HydrophobicContact CH2-CD1 4.35Å; W121-F171 VanDerWaalsContact CH2-O 3.26Å; W121-F171 WeakPolarHBondContact CH2-O 3.49Å; W121-F171 HydrophobicContact CZ3-CB 4.02Å; W121-F171 WeakPolarHBondContact CZ3-O 3.25Å; I129-F171 HydrophobicContact CB-CE1 4.41Å; I129-F171 HydrophobicContact CD1-CD1 3.74Å; I129-F171 HydrophobicContact CD1-CE1 4.21Å; I129-F171 HydrophobicContact CD1-CG 4.33Å; I129-F171 HydrophobicContact CG1-CD1 3.9Å; I129-F171 HydrophobicContact CG1-CE1 3.84Å; I129-F171 HydrophobicContact CG2-CD1 3.83Å; I129-F171 HydrophobicContact CG2-CD2 3.73Å; I129-F171 HydrophobicContact CG2-CE1 3.87Å; I129-F171 HydrophobicContact CG2-CE2 3.77Å; I129-F171 HydrophobicContact CG2-CG 3.75Å; I129-F171 HydrophobicContact CG2-CZ 3.84Å; F132-F171 HydrophobicContact CD1-CE2 4.48Å; F132-F171 HydrophobicContact CD1-CZ 4.07Å; F132-F171 HydrophobicContact CE1-CZ 4.32Å; L133-F171 HydrophobicContact CD1-CE2 4.4Å; L133-F171 HydrophobicContact CD2-CE2 3.86Å; L133-F171 HydrophobicContact CG-CE2 4.16Å; F167-F171 HydrophobicContact CD2-CB 4.14Å; F167-F171 HydrophobicContact CE2-CB 4.1Å; F167-F171 HydrophobicContact CG-CB 4.43Å; F167-F171 HydrophobicContact CZ-CB 4.34Å; F167-F171 CarbonylContact O-C 3.58Å; F167-F171 VanDerWaalsContact O-CA 3.29Å; F167-F171 WeakPolarHBondContact O-CA 3.22Å; F167-F171 WeakPolarHBondContact O-CB 3.45Å; F167-F171 PolarHBondContact O-N 3.2Å; F171-L173 PolarHBondContact O-N 3.12Å; F171-L173 VanDerWaalsContact O-N 3.13Å; F171-F186 HydrophobicContact CD1-CB 4.02Å; F171-F186 HydrophobicContact CD1-CG 4.3Å; F171-F186 HydrophobicContact CE1-CB 3.76Å; F171-F186 AromaticContact CE1-CD1 3.87Å; F171-F186 HydrophobicContact CE1-CD1 3.87Å; F171-F186 AromaticContact CE1-CD2 3.9Å; F171-F186 HydrophobicContact CE1-CD2 3.9Å; F171-F186 HydrophobicContact CE1-CE1 4.46Å; F171-F186 HydrophobicContact CE1-CE2 4.49Å; F171-F186 AromaticContact CE1-CG 3.54Å; F171-F186 HydrophobicContact CE1-CG 3.54Å; F171-F186 HydrophobicContact CE2-CD2 4.06Å; F171-F186 HydrophobicContact CE2-CG 4.41Å; F171-F186 HydrophobicContact CZ-CB 4.04Å; F171-F186 HydrophobicContact CZ-CD1 4.21Å; F171-F186 AromaticContact CZ-CD2 3.44Å; F171-F186 HydrophobicContact CZ-CD2 3.44Å; F171-F186 VanDerWaalsContact CZ-CD2 3.44Å; F171-F186 AromaticContact CZ-CE2 3.88Å; F171-F186 HydrophobicContact CZ-CE2 3.88Å; F171-F186 AromaticContact CZ-CG 3.61Å; F171-F186 HydrophobicContact CZ-CG 3.61Å; F171-F186 HydrophobicContact CZ-CZ 4.41Å
172	G	96.6	Very high	94.6	Very high	8 Å²	8	36 Å²	36	8%	0.082	18%	0.182	C	C	.	.			trans	-58.3	116.4	170.5	0	0	0	0	0	111.1	F167 T168 Y174	F167-G172 PolarHBondContact O-N 3.18Å; F167-G172 VanDerWaalsContact O-N 3.15Å; T168-G172 WeakPolarHBondContact O-CA 3.43Å; T168-G172 PolarHBondContact O-N 3.46Å; G172-Y174 WeakPolarHBondContact O-CD1 3.37Å
173	L	95.8	Very high	94.6	Very high	44 Å²	44	36 Å²	36	23%	0.23	18%	0.182	C	C	.	.			trans	-74.1	136.2	-179.1	-68.2	175.8	0	0	0	111.5	E119 W121 F171 L181 S183	E119-L173 HydrophobicContact CB-CD1 3.83Å; E119-L173 HydrophobicContact CB-CD2 3.64Å; E119-L173 HydrophobicContact CB-CG 4.42Å; E119-L173 HydrophobicContact CG-CD2 4.02Å; W121-L173 HydrophobicContact CH2-CD1 4.49Å; W121-L173 HydrophobicContact CH2-CD2 3.62Å; W121-L173 HydrophobicContact CH2-CG 3.95Å; W121-L173 HydrophobicContact CZ2-CD2 3.57Å; W121-L173 HydrophobicContact CZ2-CG 4.26Å; W121-L173 HydrophobicContact CZ3-CD2 4.47Å; W121-L173 HydrophobicContact CZ3-CG 4.34Å; F171-L173 PolarHBondContact O-N 3.12Å; F171-L173 VanDerWaalsContact O-N 3.13Å; L173-L181 HydrophobicContact CB-CB 4.35Å; L173-S183 CarbonylContact C-O 3.59Å; L173-S183 WeakPolarHBondContact CA-O 3.47Å
174	Y	95.3	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-145.3	172.9	174.8	58.2	-102.2	0	0	0	111	G172 R176 S183 I289 Y294 I295 A296	G172-Y174 WeakPolarHBondContact O-CD1 3.37Å; Y174-R176 HydrophobicContact CD2-CG 4.28Å; Y174-R176 HydrophobicContact CE2-CG 3.92Å; Y174-R176 PolarHBondContact OH-NH2 3.21Å; Y174-S183 PolarHBondContact N-O 2.91Å; Y174-S183 PolarHBondContact O-N 3.18Å; Y174-I289 HydrophobicContact CD1-CG2 3.6Å; Y174-I289 HydrophobicContact CD2-CD1 3.73Å; Y174-I289 HydrophobicContact CD2-CG2 3.83Å; Y174-I289 HydrophobicContact CE1-CG2 3.67Å; Y174-I289 HydrophobicContact CE2-CD1 3.83Å; Y174-I289 HydrophobicContact CE2-CG2 3.9Å; Y174-I289 HydrophobicContact CG-CD1 4.49Å; Y174-I289 HydrophobicContact CG-CG2 3.67Å; Y174-Y294 AromaticContact CD1-CD2 3.93Å; Y174-Y294 HydrophobicContact CD1-CD2 3.93Å; Y174-Y294 HydrophobicContact CD1-CG 4.19Å; Y174-Y294 HydrophobicContact CG-CD2 4.47Å; Y174-I295 WeakPolarHBondContact CE1-O 3.44Å; Y174-I295 PolarHBondContact OH-O 2.61Å; Y174-A296 PolarHBondContact OH-O 3.5Å
175	S	94.2	Very high	94.5	Very high	40 Å²	40	32.7 Å²	32.7	28%	0.28	16%	0.162	S	C	.	.			trans	-101.5	132.1	-175.8	169.8	0	0	0	0	111.7	A177 S180	S175-A177 PolarHBondContact OG-O 3.09Å; S175-S180 WeakPolarHBondContact CA-O 3.36Å; S175-S180 WeakPolarHBondContact CB-O 3.49Å; S175-S180 PolarHBondContact OG-O 3.47Å
176	R	91.9	Very high	94.6	Very high	59 Å²	59	32 Å²	32	22%	0.223	16%	0.158	C	C	.	.	S	Bend	trans	-116.1	-9.4	166	-69.5	-172.9	175.4	-97.9	-14.2	113.5	V115 Y174 S183 H188 E193 R195 E200 A296	V115-R176 HydrophobicContact CB-CB 4.23Å; V115-R176 HydrophobicContact CG1-CB 4.39Å; V115-R176 HydrophobicContact CG2-CB 4.38Å; Y174-R176 HydrophobicContact CD2-CG 4.28Å; Y174-R176 HydrophobicContact CE2-CG 3.92Å; Y174-R176 PolarHBondContact OH-NH2 3.21Å; R176-S183 VanDerWaalsContact CD-OG 3.29Å; R176-S183 WeakPolarHBondContact CD-OG 3.45Å; R176-S183 WeakPolarHBondContact CG-OG 3.48Å; R176-H188 PolarHBondContact NH2-ND1 2.92Å; R176-E193 WeakPolarHBondContact CD-OE1 3.31Å; R176-E193 IonicContact CZ-OE1 2.77Å; R176-E193 IonicContact NE-OE1 2.87Å; R176-E193 PolarHBondContact NE-OE1 3.21Å; R176-R195 WeakPolarHBondContact O-CD 3.39Å; R176-E200 VanDerWaalsContact CD-OE2 3.31Å; R176-E200 WeakPolarHBondContact CD-OE2 3.37Å; R176-E200 IonicContact CZ-OE2 2.63Å; R176-E200 IonicContact NE-OE2 3.68Å; R176-E200 IonicContact NH1-OE2 3.52Å; R176-E200 PolarHBondContact NH1-OE2 2.74Å; R176-A296 PolarHBondContact NH2-O 3.4Å
177	A	87.6	Confident	94.5	Very high	8 Å²	8	32 Å²	32	7%	0.066	16%	0.158	C	C	.	.	S	Bend	trans	-129	145.4	174.1	0	0	0	0	0	109.2	V115 H116 S175 H179 S180	V115-A177 HydrophobicContact CG2-CB 3.88Å; H116-A177 VanDerWaalsContact CE1-CB 3.47Å; H116-A177 WeakPolarHBondContact CE1-CB 3.34Å; H116-A177 WeakPolarHBondContact ND1-CB 3.17Å; S175-A177 PolarHBondContact OG-O 3.09Å; A177-H179 PolarHBondContact O-N 3.06Å; A177-S180 PolarHBondContact O-N 2.68Å; A177-S180 PolarHBondContact O-OG 2.72Å
178	E	83.2	Confident	94.5	Very high	171 Å²	171	30.2 Å²	30.2	80%	0.799	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	125	-174.6	-64.9	-174	167.9	0	0	111	S180	E178-S180 VanDerWaalsContact C-N 3.31Å; E178-S180 PolarHBondContact O-N 3.02Å
179	H	83.8	Confident	94.5	Very high	191 Å²	191	29.9 Å²	29.9	88%	0.884	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	9.6	174.6	-49.3	-68.1	0	0	0	117.6	A177	A177-H179 PolarHBondContact O-N 3.06Å
180	S	89.5	Confident	94.6	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.035	15%	0.149	C	C	.	.			trans	-111.5	136.9	173.9	62.3	0	0	0	0	112.9	V115 H116 T118 S175 A177 E178 G182	V115-S180 PolarHBondContact O-OG 2.94Å; H116-S180 WeakPolarHBondContact O-CB 3.42Å; T118-S180 WeakPolarHBondContact OG1-CA 3.5Å; S175-S180 WeakPolarHBondContact CA-O 3.36Å; S175-S180 WeakPolarHBondContact CB-O 3.49Å; S175-S180 PolarHBondContact OG-O 3.47Å; A177-S180 PolarHBondContact O-N 2.68Å; A177-S180 PolarHBondContact O-OG 2.72Å; E178-S180 VanDerWaalsContact C-N 3.31Å; E178-S180 PolarHBondContact O-N 3.02Å; S180-G182 VanDerWaalsContact C-N 3.28Å; S180-G182 PolarHBondContact O-N 2.96Å
181	L	92.6	Very high	94.6	Very high	87 Å²	87	30 Å²	30	46%	0.455	15%	0.15	S	C	.	.			trans	-93.3	63.8	164.5	-68.7	177.4	0	0	0	108.9	T118 E119 L173	T118-L181 HydrophobicContact CG2-CB 4.16Å; T118-L181 PolarHBondContact OG1-N 3.33Å; E119-L181 WeakPolarHBondContact CB-O 3.5Å; E119-L181 PolarHBondContact N-O 2.85Å; L173-L181 HydrophobicContact CB-CB 4.35Å
182	G	94.4	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-104.7	15.3	-171.9	0	0	0	0	0	115.3	E117 S180	E117-G182 WeakPolarHBondContact O-CA 3.5Å; S180-G182 VanDerWaalsContact C-N 3.28Å; S180-G182 PolarHBondContact O-N 2.96Å
183	S	96.8	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-139.7	149.8	-179.4	-70.1	0	0	0	0	112.4	V115 L173 Y174 R176 E187 E193	V115-S183 WeakPolarHBondContact CG1-OG 2.98Å; L173-S183 CarbonylContact C-O 3.59Å; L173-S183 WeakPolarHBondContact CA-O 3.47Å; Y174-S183 PolarHBondContact N-O 2.91Å; Y174-S183 PolarHBondContact O-N 3.18Å; R176-S183 VanDerWaalsContact CD-OG 3.29Å; R176-S183 WeakPolarHBondContact CD-OG 3.45Å; R176-S183 WeakPolarHBondContact CG-OG 3.48Å; S183-E187 WeakPolarHBondContact CA-OE2 3.36Å; S183-E193 VanDerWaalsContact CB-OE2 3.3Å; S183-E193 WeakPolarHBondContact CB-OE2 3.17Å; S183-E193 PolarHBondContact OG-OE2 3.26Å
184	S	97.5	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.			trans	-138.1	166.8	164.6	64.7	0	0	0	0	111	W170 F186 E187 H188	W170-S184 WeakPolarHBondContact O-CB 3.4Å; S184-F186 VanDerWaalsContact C-N 3.26Å; S184-F186 PolarHBondContact O-N 3.43Å; S184-E187 PolarHBondContact N-OE2 3.29Å; S184-E187 PolarHBondContact O-N 3.47Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 PolarHBondContact OG-N 3.29Å; S184-H188 WeakPolarHBondContact O-CB 3.45Å; S184-H188 PolarHBondContact O-N 3.28Å
185	G	98.1	Very high	94.7	Very high	1 Å²	1	33 Å²	33	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-36.7	175.4	0	0	0	0	0	112.9	W170 V189 I295	W170-G185 CarbonylContact O-C 3.44Å; W170-G185 WeakPolarHBondContact O-CA 3.45Å; W170-G185 PolarHBondContact O-N 3.2Å; G185-V189 WeakPolarHBondContact O-CB 3.24Å; G185-V189 WeakPolarHBondContact O-CG2 3.23Å; G185-V189 PolarHBondContact O-N 2.95Å; G185-I295 WeakPolarHBondContact CA-O 3.25Å
186	F	98.7	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.4	-47.9	179.5	-169.5	-85.2	0	0	0	111.2	L104 V107 L108 F111 F132 W170 F171 S184 V189 F190	L104-F186 HydrophobicContact CD1-CE1 4.18Å; L104-F186 HydrophobicContact CD1-CZ 3.61Å; V107-F186 HydrophobicContact CG1-CD1 4.1Å; V107-F186 HydrophobicContact CG1-CE1 3.51Å; V107-F186 HydrophobicContact CG1-CZ 3.88Å; L108-F186 HydrophobicContact CD2-CE1 4.49Å; F111-F186 AromaticContact CE2-CD1 3.45Å; F111-F186 HydrophobicContact CE2-CD1 3.45Å; F111-F186 VanDerWaalsContact CE2-CD1 3.45Å; F111-F186 AromaticContact CE2-CE1 3.82Å; F111-F186 HydrophobicContact CE2-CE1 3.82Å; F111-F186 HydrophobicContact CZ-CB 4.32Å; F111-F186 AromaticContact CZ-CD1 3.54Å; F111-F186 HydrophobicContact CZ-CD1 3.54Å; F111-F186 HydrophobicContact CZ-CE1 4.32Å; F111-F186 HydrophobicContact CZ-CG 4.29Å; F132-F186 HydrophobicContact CD1-CE2 4.25Å; F132-F186 HydrophobicContact CE1-CD2 4.28Å; F132-F186 AromaticContact CE1-CE2 3.43Å; F132-F186 HydrophobicContact CE1-CE2 3.43Å; F132-F186 VanDerWaalsContact CE1-CE2 3.43Å; F132-F186 HydrophobicContact CE1-CZ 4.06Å; F132-F186 HydrophobicContact CE2-CE2 4.28Å; F132-F186 HydrophobicContact CE2-CZ 4.21Å; F132-F186 AromaticContact CZ-CE2 3.46Å; F132-F186 HydrophobicContact CZ-CE2 3.46Å; F132-F186 VanDerWaalsContact CZ-CE2 3.46Å; F132-F186 AromaticContact CZ-CZ 3.84Å; F132-F186 HydrophobicContact CZ-CZ 3.84Å; W170-F186 HydrophobicContact CB-CB 4.26Å; W170-F186 HydrophobicContact CE3-CB 4.3Å; W170-F186 HydrophobicContact CE3-CD2 4.4Å; W170-F186 WeakPolarHBondContact O-CB 3.2Å; W170-F186 PolarHBondContact O-N 3.26Å; F171-F186 HydrophobicContact CD1-CB 4.02Å; F171-F186 HydrophobicContact CD1-CG 4.3Å; F171-F186 HydrophobicContact CE1-CB 3.76Å; F171-F186 AromaticContact CE1-CD1 3.87Å; F171-F186 HydrophobicContact CE1-CD1 3.87Å; F171-F186 AromaticContact CE1-CD2 3.9Å; F171-F186 HydrophobicContact CE1-CD2 3.9Å; F171-F186 HydrophobicContact CE1-CE1 4.46Å; F171-F186 HydrophobicContact CE1-CE2 4.49Å; F171-F186 AromaticContact CE1-CG 3.54Å; F171-F186 HydrophobicContact CE1-CG 3.54Å; F171-F186 HydrophobicContact CE2-CD2 4.06Å; F171-F186 HydrophobicContact CE2-CG 4.41Å; F171-F186 HydrophobicContact CZ-CB 4.04Å; F171-F186 HydrophobicContact CZ-CD1 4.21Å; F171-F186 AromaticContact CZ-CD2 3.44Å; F171-F186 HydrophobicContact CZ-CD2 3.44Å; F171-F186 VanDerWaalsContact CZ-CD2 3.44Å; F171-F186 AromaticContact CZ-CE2 3.88Å; F171-F186 HydrophobicContact CZ-CE2 3.88Å; F171-F186 AromaticContact CZ-CG 3.61Å; F171-F186 HydrophobicContact CZ-CG 3.61Å; F171-F186 HydrophobicContact CZ-CZ 4.41Å; S184-F186 VanDerWaalsContact C-N 3.26Å; S184-F186 PolarHBondContact O-N 3.43Å; F186-V189 PolarHBondContact O-N 3.18Å; F186-F190 HydrophobicContact CD1-CB 4.21Å; F186-F190 AromaticContact CD2-CD2 3.79Å; F186-F190 HydrophobicContact CD2-CD2 3.79Å; F186-F190 HydrophobicContact CD2-CE2 4.41Å; F186-F190 HydrophobicContact CD2-CG 4.5Å; F186-F190 HydrophobicContact CE1-CB 3.85Å; F186-F190 HydrophobicContact CE2-CB 4.3Å; F186-F190 AromaticContact CE2-CD2 3.71Å; F186-F190 HydrophobicContact CE2-CD2 3.71Å; F186-F190 HydrophobicContact CE2-CE2 4.31Å; F186-F190 HydrophobicContact CE2-CG 4.09Å; F186-F190 HydrophobicContact CG-CD2 4.31Å; F186-F190 HydrophobicContact CZ-CB 3.92Å; F186-F190 HydrophobicContact CZ-CD2 4.2Å; F186-F190 HydrophobicContact CZ-CG 4.13Å; F186-F190 WeakPolarHBondContact O-CB 3.26Å; F186-F190 PolarHBondContact O-N 2.87Å
187	E	97.9	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-57	-52.5	176	-179.5	166.1	-146.2	0	0	111.3	F111 S183 S184 V189 A191 G192 E193	F111-E187 HydrophobicContact CB-CG 4.19Å; F111-E187 WeakPolarHBondContact CB-OE1 3.4Å; F111-E187 HydrophobicContact CD1-CB 3.66Å; F111-E187 HydrophobicContact CD1-CG 3.84Å; F111-E187 HydrophobicContact CE1-CB 3.81Å; F111-E187 HydrophobicContact CE1-CG 4.48Å; F111-E187 HydrophobicContact CG-CB 4.16Å; F111-E187 HydrophobicContact CG-CG 4.08Å; F111-E187 HydrophobicContact CZ-CB 4.42Å; S183-E187 WeakPolarHBondContact CA-OE2 3.36Å; S184-E187 PolarHBondContact N-OE2 3.29Å; S184-E187 PolarHBondContact O-N 3.47Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 PolarHBondContact OG-N 3.29Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 2.98Å; E187-A191 HydrophobicContact CG-CB 4.42Å; E187-A191 CarbonylContact O-C 3.59Å; E187-A191 WeakPolarHBondContact O-CA 3.3Å; E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 2.87Å; E187-G192 PolarHBondContact O-N 3.29Å; E187-E193 HydrophobicContact CG-CB 4.39Å
188	H	98.1	Very high	95.4	Very high	11 Å²	11	41 Å²	41	5%	0.051	21%	0.206	C	C	.	.	I	π-helix	trans	-53.6	-49.1	176.5	-173.5	90.3	0	0	0	111.3	R176 S184 E193 G201 Q202 A296 T297	R176-H188 PolarHBondContact NH2-ND1 2.92Å; S184-H188 WeakPolarHBondContact O-CB 3.45Å; S184-H188 PolarHBondContact O-N 3.28Å; H188-E193 IonicContact CE1-OE1 2.75Å; H188-E193 IonicContact CG-OE1 3.71Å; H188-E193 IonicContact ND1-OE1 3.58Å; H188-E193 PolarHBondContact ND1-OE1 2.93Å; H188-G201 PolarHBondContact CE1-N 2.88Å; H188-G201 WeakPolarHBondContact NE2-CA 3.43Å; H188-G201 CarbonylContact O-C 3.57Å; H188-G201 VanDerWaalsContact O-C 3.3Å; H188-G201 WeakPolarHBondContact O-CA 3.04Å; H188-Q202 PolarHBondContact O-N 3.07Å; H188-A296 PolarHBondContact CD2-O 2.78Å; H188-T297 PolarHBondContact CD2-OG1 2.94Å; H188-T297 WeakPolarHBondContact NE2-CB 3.25Å; H188-T297 PolarHBondContact NE2-OG1 3.34Å
189	V	98.7	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-83	-48.7	-170.7	174.6	0	0	0	0	113	W170 G185 F186 E187 H203 F260 I295 T298	W170-V189 HydrophobicContact CH2-CG1 4.36Å; W170-V189 HydrophobicContact CZ3-CB 3.94Å; W170-V189 HydrophobicContact CZ3-CG1 4.13Å; W170-V189 HydrophobicContact CZ3-CG2 4Å; G185-V189 WeakPolarHBondContact O-CB 3.24Å; G185-V189 WeakPolarHBondContact O-CG2 3.23Å; G185-V189 PolarHBondContact O-N 2.95Å; F186-V189 PolarHBondContact O-N 3.18Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 2.98Å; V189-H203 HydrophobicContact CG1-CB 4.23Å; V189-H203 WeakPolarHBondContact O-CA 3.37Å; V189-H203 PolarHBondContact O-N 3.42Å; V189-F260 HydrophobicContact CG1-CD2 3.76Å; V189-F260 HydrophobicContact CG1-CE2 3.83Å; V189-I295 HydrophobicContact CG2-CG2 4.43Å; V189-T298 HydrophobicContact CG1-CG2 4.35Å; V189-T298 HydrophobicContact CG2-CG2 3.74Å; V189-T298 WeakPolarHBondContact CG2-O 3.2Å
190	F	98.7	Very high	96.7	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.132	C	C	.	.	I	π-helix	trans	-99	-33	-170.7	-71.4	-82	0	0	0	113.8	L104 W170 F186 F204 R207 D256 F257 F260	L104-F190 HydrophobicContact CD1-CB 4.39Å; W170-F190 HydrophobicContact CE3-CE2 4.37Å; W170-F190 AromaticContact CH2-CE2 3.76Å; W170-F190 HydrophobicContact CH2-CE2 3.76Å; W170-F190 HydrophobicContact CZ2-CE2 4.47Å; W170-F190 HydrophobicContact CZ3-CD2 4.11Å; W170-F190 AromaticContact CZ3-CE2 3.71Å; W170-F190 HydrophobicContact CZ3-CE2 3.71Å; F186-F190 HydrophobicContact CD1-CB 4.21Å; F186-F190 AromaticContact CD2-CD2 3.79Å; F186-F190 HydrophobicContact CD2-CD2 3.79Å; F186-F190 HydrophobicContact CD2-CE2 4.41Å; F186-F190 HydrophobicContact CD2-CG 4.5Å; F186-F190 HydrophobicContact CE1-CB 3.85Å; F186-F190 HydrophobicContact CE2-CB 4.3Å; F186-F190 AromaticContact CE2-CD2 3.71Å; F186-F190 HydrophobicContact CE2-CD2 3.71Å; F186-F190 HydrophobicContact CE2-CE2 4.31Å; F186-F190 HydrophobicContact CE2-CG 4.09Å; F186-F190 HydrophobicContact CG-CD2 4.31Å; F186-F190 HydrophobicContact CZ-CB 3.92Å; F186-F190 HydrophobicContact CZ-CD2 4.2Å; F186-F190 HydrophobicContact CZ-CG 4.13Å; F186-F190 WeakPolarHBondContact O-CB 3.26Å; F186-F190 PolarHBondContact O-N 2.87Å; F190-F204 HydrophobicContact CD1-CB 3.75Å; F190-F204 AromaticContact CD1-CD1 3.96Å; F190-F204 HydrophobicContact CD1-CD1 3.96Å; F190-F204 HydrophobicContact CD1-CD2 4.04Å; F190-F204 AromaticContact CD1-CG 3.65Å; F190-F204 HydrophobicContact CD1-CG 3.65Å; F190-F204 HydrophobicContact CE1-CB 4.33Å; F190-F204 AromaticContact CE1-CD2 3.91Å; F190-F204 HydrophobicContact CE1-CD2 3.91Å; F190-F204 HydrophobicContact CE1-CE2 4.37Å; F190-F204 HydrophobicContact CE1-CG 4.02Å; F190-R207 VanDerWaalsContact O-CB 3.26Å; F190-R207 WeakPolarHBondContact O-CB 3.37Å; F190-R207 WeakPolarHBondContact O-CG 3.39Å; F190-D256 HydrophobicContact CE1-CB 4.03Å; F190-D256 HydrophobicContact CZ-CB 4.19Å; F190-F257 HydrophobicContact CE2-CD2 4.15Å; F190-F257 HydrophobicContact CZ-CB 4.07Å; F190-F257 HydrophobicContact CZ-CD2 4.45Å; F190-F260 HydrophobicContact CE2-CD2 4.41Å; F190-F260 HydrophobicContact CZ-CD2 4.04Å; F190-F260 HydrophobicContact CZ-CE2 4.32Å
191	A	98.3	Very high	97	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	13%	0.132	C	C	.	.	I	π-helix	trans	-88.8	-38.2	-179.9	0	0	0	0	0	112.9	L108 F111 E187 R207	L108-A191 VanDerWaalsContact CD2-CA 3.46Å; L108-A191 HydrophobicContact CD2-CB 3.56Å; F111-A191 HydrophobicContact CB-CB 4.49Å; F111-A191 HydrophobicContact CD2-CB 4.06Å; F111-A191 HydrophobicContact CG-CB 4.44Å; E187-A191 HydrophobicContact CG-CB 4.42Å; E187-A191 CarbonylContact O-C 3.59Å; E187-A191 WeakPolarHBondContact O-CA 3.3Å; E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 2.87Å; A191-R207 VanDerWaalsContact O-CG 3.25Å; A191-R207 WeakPolarHBondContact O-CG 3.46Å; A191-R207 PolarHBondContact O-NE 2.91Å
192	G	98.2	Very high	97.3	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.021	11%	0.11	C	C	.	.			trans	77.3	142.8	-165.2	0	0	0	0	0	111.6	E187	E187-G192 PolarHBondContact O-N 3.29Å
193	E	97.6	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.8	179.9	69.2	-166.7	169.2	0	0	109.6	E113 V115 R176 S183 E187 H188 E200	E113-E193 CarbonylContact O-C 3.45Å; E113-E193 WeakPolarHBondContact O-CA 3.47Å; V115-E193 HydrophobicContact CG1-CB 3.83Å; V115-E193 HydrophobicContact CG1-CG 3.62Å; R176-E193 WeakPolarHBondContact CD-OE1 3.31Å; R176-E193 IonicContact CZ-OE1 2.77Å; R176-E193 IonicContact NE-OE1 2.87Å; R176-E193 PolarHBondContact NE-OE1 3.21Å; S183-E193 VanDerWaalsContact CB-OE2 3.3Å; S183-E193 WeakPolarHBondContact CB-OE2 3.17Å; S183-E193 PolarHBondContact OG-OE2 3.26Å; E187-E193 HydrophobicContact CG-CB 4.39Å; H188-E193 IonicContact CE1-OE1 2.75Å; H188-E193 IonicContact CG-OE1 3.71Å; H188-E193 IonicContact ND1-OE1 3.58Å; H188-E193 PolarHBondContact ND1-OE1 2.93Å; E193-E200 HydrophobicContact CG-CB 3.79Å; E193-E200 PolarHBondContact N-O 2.91Å; E193-E200 PolarHBondContact O-N 3.02Å
194	K	97.5	Very high	97.5	Very high	32 Å²	32	21.5 Å²	21.5	14%	0.139	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.4	-175.3	-65.1	168.3	-179.7	167.1	0	108.4	E113 V115 I198 W237 C240	E113-K194 HydrophobicContact CB-CD 4.27Å; E113-K194 WeakPolarHBondContact O-CA 3.27Å; E113-K194 WeakPolarHBondContact O-CB 3.48Å; E113-K194 PolarHBondContact O-N 3.11Å; E113-K194 IonicContact OE2-NZ 3.76Å; E113-K194 PolarHBondContact OE2-NZ 3.03Å; V115-K194 WeakPolarHBondContact CG2-O 3.36Å; V115-K194 PolarHBondContact N-O 2.9Å; K194-I198 WeakPolarHBondContact CA-O 3.42Å; K194-W237 HydrophobicContact CD-CE3 4.44Å; K194-W237 HydrophobicContact CG-CE3 4.2Å; K194-W237 HydrophobicContact CG-CZ3 4.35Å; K194-C240 HydrophobicContact CD-CB 4.45Å; K194-C240 HydrophobicContact CG-CB 4.34Å
195	R	95.9	Very high	97.6	Very high	81 Å²	81	21.5 Å²	21.5	31%	0.306	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.7	170.4	-172.5	169.8	56.3	89.5	3.2	108.2	V115 R176 S197 I198 E200	V115-R195 HydrophobicContact CG2-CB 3.58Å; V115-R195 HydrophobicContact CG2-CG 3.59Å; R176-R195 WeakPolarHBondContact O-CD 3.39Å; R195-S197 PolarHBondContact O-N 3.46Å; R195-S197 VanDerWaalsContact O-N 3.1Å; R195-I198 PolarHBondContact N-O 3.45Å; R195-I198 PolarHBondContact O-N 3.43Å; R195-E200 HydrophobicContact CB-CG 4.31Å; R195-E200 IonicContact CZ-OE1 3.32Å; R195-E200 VanDerWaalsContact CZ-OE1 3.25Å; R195-E200 IonicContact NE-OE1 2.82Å; R195-E200 PolarHBondContact NE-OE1 3.48Å; R195-E200 IonicContact NH2-OE1 2.71Å; R195-E200 PolarHBondContact NH2-OE1 3.39Å
196	D	94.8	Very high	97.6	Very high	102 Å²	102	21.6 Å²	21.6	55%	0.545	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-112.5	-176.6	-44.5	-48.9	0	0	0	111	H116 C240	H116-D196 IonicContact CD2-OD1 3.92Å; H116-D196 IonicContact CE1-OD1 3.78Å; H116-D196 IonicContact NE2-OD1 2.91Å; H116-D196 PolarHBondContact NE2-OD1 2.88Å; D196-C240 PolarHBondContact O-SG 2.96Å
197	S	96.4	Very high	97.5	Very high	85 Å²	85	23.5 Å²	23.5	59%	0.594	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	14.8	178.4	-57.8	0	0	0	0	113.8	R195 C240 K241	R195-S197 PolarHBondContact O-N 3.46Å; R195-S197 VanDerWaalsContact O-N 3.1Å; S197-C240 CarbonylContact O-C 3.42Å; S197-C240 VanDerWaalsContact O-CA 3.31Å; S197-C240 WeakPolarHBondContact O-CA 3.31Å; S197-K241 PolarHBondContact O-N 3.33Å
198	I	97.6	Very high	97.6	Very high	87 Å²	87	23.5 Å²	23.5	45%	0.446	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.7	-174.8	-59.5	173	0	0	0	110.1	K194 R195 E200	K194-I198 WeakPolarHBondContact CA-O 3.42Å; R195-I198 PolarHBondContact N-O 3.45Å; R195-I198 PolarHBondContact O-N 3.43Å; I198-E200 HydrophobicContact CG2-CG 4.46Å
199	V	98.2	Very high	97.6	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.3	166.7	-179.3	0	0	0	0	109.1	W237 C240 K241 K242	V199-W237 HydrophobicContact CG1-CE3 3.89Å; V199-W237 HydrophobicContact CG2-CB 3.67Å; V199-W237 HydrophobicContact CG2-CE3 4.38Å; V199-C240 HydrophobicContact CG2-CB 3.63Å; V199-C240 WeakPolarHBondContact CG2-O 3.48Å; V199-K241 PolarHBondContact N-O 2.63Å; V199-K242 HydrophobicContact CB-CB 3.9Å; V199-K242 HydrophobicContact CB-CD 4.34Å; V199-K242 HydrophobicContact CB-CG 4.21Å; V199-K242 HydrophobicContact CG1-CB 4.45Å; V199-K242 HydrophobicContact CG1-CD 4.1Å; V199-K242 HydrophobicContact CG2-CB 4.4Å; V199-K242 PolarHBondContact O-NZ 2.84Å
200	E	95	Very high	97.6	Very high	23 Å²	23	27 Å²	27	11%	0.107	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	152.1	171.1	-59.3	-154	165.4	0	0	110.7	R176 E193 R195 I198 Q202	R176-E200 VanDerWaalsContact CD-OE2 3.31Å; R176-E200 WeakPolarHBondContact CD-OE2 3.37Å; R176-E200 IonicContact CZ-OE2 2.63Å; R176-E200 IonicContact NE-OE2 3.68Å; R176-E200 IonicContact NH1-OE2 3.52Å; R176-E200 PolarHBondContact NH1-OE2 2.74Å; E193-E200 HydrophobicContact CG-CB 3.79Å; E193-E200 PolarHBondContact N-O 2.91Å; E193-E200 PolarHBondContact O-N 3.02Å; R195-E200 HydrophobicContact CB-CG 4.31Å; R195-E200 IonicContact CZ-OE1 3.32Å; R195-E200 VanDerWaalsContact CZ-OE1 3.25Å; R195-E200 IonicContact NE-OE1 2.82Å; R195-E200 PolarHBondContact NE-OE1 3.48Å; R195-E200 IonicContact NH2-OE1 2.71Å; R195-E200 PolarHBondContact NH2-OE1 3.39Å; I198-E200 HydrophobicContact CG2-CG 4.46Å; E200-Q202 PolarHBondContact O-N 2.88Å
201	G	96.3	Very high	97.6	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	14%	0.137	C	C	.	.			trans	66	-130.2	172	0	0	0	0	0	115.7	H188 H203 K242	H188-G201 PolarHBondContact CE1-N 2.88Å; H188-G201 WeakPolarHBondContact NE2-CA 3.43Å; H188-G201 CarbonylContact O-C 3.57Å; H188-G201 VanDerWaalsContact O-C 3.3Å; H188-G201 WeakPolarHBondContact O-CA 3.04Å; G201-H203 PolarHBondContact O-CE1 3.35Å; G201-H203 PolarHBondContact O-NE2 2.67Å; G201-K242 WeakPolarHBondContact O-CE 3.41Å; G201-K242 PolarHBondContact O-NZ 2.8Å
202	Q	98.1	Very high	97.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.139	C	C	.	.			trans	54.2	70.4	-178.1	-162.7	177.5	87.3	0	0	113.3	H188 E200 R207 Y235	H188-Q202 PolarHBondContact O-N 3.07Å; E200-Q202 PolarHBondContact O-N 2.88Å; Q202-R207 HydrophobicContact CG-CG 4.47Å; Q202-Y235 PolarHBondContact OE1-OH 3.15Å
203	H	98.3	Very high	97.6	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.069	16%	0.164	C	C	.	.			trans	-109	22.4	-176	-60.7	-59.3	0	0	0	113.3	V189 G201 G246 F247 Y299	V189-H203 HydrophobicContact CG1-CB 4.23Å; V189-H203 WeakPolarHBondContact O-CA 3.37Å; V189-H203 PolarHBondContact O-N 3.42Å; G201-H203 PolarHBondContact O-CE1 3.35Å; G201-H203 PolarHBondContact O-NE2 2.67Å; H203-G246 PolarHBondContact ND1-O 2.87Å; H203-G246 VanDerWaalsContact ND1-O 3.09Å; H203-F247 WeakPolarHBondContact O-CB 3.47Å; H203-Y299 AromaticContact CE1-CG 3.98Å; H203-Y299 VanDerWaalsContact CG-CB 3.44Å; H203-Y299 WeakPolarHBondContact ND1-CB 3.47Å; H203-Y299 AromaticContact NE2-CD1 3.98Å
204	F	98.5	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.			trans	-127.6	128.2	179.2	-167.3	-123.3	0	0	0	113.1	L104 F190 V206 R207 F208 P253 D256	L104-F204 HydrophobicContact CD2-CD1 3.79Å; L104-F204 HydrophobicContact CD2-CE1 3.24Å; L104-F204 HydrophobicContact CD2-CZ 4.16Å; F190-F204 HydrophobicContact CD1-CB 3.75Å; F190-F204 AromaticContact CD1-CD1 3.96Å; F190-F204 HydrophobicContact CD1-CD1 3.96Å; F190-F204 HydrophobicContact CD1-CD2 4.04Å; F190-F204 AromaticContact CD1-CG 3.65Å; F190-F204 HydrophobicContact CD1-CG 3.65Å; F190-F204 HydrophobicContact CE1-CB 4.33Å; F190-F204 AromaticContact CE1-CD2 3.91Å; F190-F204 HydrophobicContact CE1-CD2 3.91Å; F190-F204 HydrophobicContact CE1-CE2 4.37Å; F190-F204 HydrophobicContact CE1-CG 4.02Å; F204-V206 HydrophobicContact CD1-CB 3.82Å; F204-V206 HydrophobicContact CD1-CG2 4.15Å; F204-V206 HydrophobicContact CE1-CB 3.4Å; F204-V206 VanDerWaalsContact CE1-CB 3.4Å; F204-V206 HydrophobicContact CE1-CG1 4.47Å; F204-V206 HydrophobicContact CE1-CG2 3.32Å; F204-V206 HydrophobicContact CZ-CB 4.18Å; F204-V206 HydrophobicContact CZ-CG2 3.58Å; F204-V206 PolarHBondContact O-N 3.39Å; F204-R207 PolarHBondContact O-N 3.14Å; F204-F208 PolarHBondContact O-N 2.85Å; F204-P253 HydrophobicContact CE1-CG 4.44Å; F204-P253 HydrophobicContact CZ-CB 4.38Å; F204-P253 HydrophobicContact CZ-CG 4.06Å; F204-D256 HydrophobicContact CD2-CB 4.22Å; F204-D256 VanDerWaalsContact CD2-OD2 3.3Å; F204-D256 WeakPolarHBondContact CD2-OD2 3.27Å; F204-D256 HydrophobicContact CE2-CB 4.13Å
205	W	98.3	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-33.5	-170.3	74.3	-91.1	0	0	0	113.9	I66 F88 V91 L95 Y101 R207 F208 Y209 F247 L248 T251	I66-W205 HydrophobicContact CD1-CD2 4.5Å; I66-W205 HydrophobicContact CD1-CE3 4.24Å; I66-W205 HydrophobicContact CD1-CH2 3.65Å; I66-W205 HydrophobicContact CD1-CZ2 3.94Å; I66-W205 HydrophobicContact CD1-CZ3 3.82Å; I66-W205 HydrophobicContact CG1-CH2 4.43Å; I66-W205 HydrophobicContact CG1-CZ3 4.5Å; F88-W205 AromaticContact CE1-CE3 3.64Å; F88-W205 HydrophobicContact CE1-CE3 3.64Å; F88-W205 HydrophobicContact CE1-CZ3 4.15Å; F88-W205 HydrophobicContact CZ-CB 4.15Å; F88-W205 AromaticContact CZ-CE3 3.92Å; F88-W205 HydrophobicContact CZ-CE3 3.92Å; V91-W205 HydrophobicContact CG1-CH2 4.21Å; V91-W205 HydrophobicContact CG1-CZ3 4.08Å; V91-W205 HydrophobicContact CG2-CZ3 4.33Å; L95-W205 HydrophobicContact CD1-CH2 3.83Å; L95-W205 HydrophobicContact CD1-CZ2 4.04Å; L95-W205 HydrophobicContact CD2-CH2 3.95Å; Y101-W205 HydrophobicContact CE1-CZ2 4.46Å; W205-R207 VanDerWaalsContact C-N 3.32Å; W205-R207 PolarHBondContact O-N 3.46Å; W205-F208 PolarHBondContact O-N 3.2Å; W205-Y209 WeakPolarHBondContact O-CB 3.43Å; W205-Y209 PolarHBondContact O-N 3.31Å; W205-F247 HydrophobicContact CB-CD2 3.47Å; W205-F247 VanDerWaalsContact CB-CD2 3.47Å; W205-F247 HydrophobicContact CB-CE2 3.82Å; W205-F247 HydrophobicContact CB-CG 4.09Å; W205-L248 VanDerWaalsContact CB-O 3.3Å; W205-L248 WeakPolarHBondContact CB-O 3.02Å; W205-L248 VanDerWaalsContact CD1-O 3.24Å; W205-T251 PolarHBondContact NE1-O 3.05Å
206	V	98.3	Very high	97.7	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-41.6	179.9	179.7	0	0	0	0	110.1	L96 Y101 F204 Y209 Q210	L96-V206 HydrophobicContact CD2-CG1 3.67Å; L96-V206 HydrophobicContact CD2-CG2 4.35Å; Y101-V206 HydrophobicContact CD1-CG2 4.16Å; Y101-V206 HydrophobicContact CE1-CG2 3.73Å; F204-V206 HydrophobicContact CD1-CB 3.82Å; F204-V206 HydrophobicContact CD1-CG2 4.15Å; F204-V206 HydrophobicContact CE1-CB 3.4Å; F204-V206 VanDerWaalsContact CE1-CB 3.4Å; F204-V206 HydrophobicContact CE1-CG1 4.47Å; F204-V206 HydrophobicContact CE1-CG2 3.32Å; F204-V206 HydrophobicContact CZ-CB 4.18Å; F204-V206 HydrophobicContact CZ-CG2 3.58Å; F204-V206 PolarHBondContact O-N 3.39Å; V206-Y209 PolarHBondContact O-N 3.4Å; V206-Q210 HydrophobicContact CG1-CG 4.32Å; V206-Q210 WeakPolarHBondContact O-CB 3.35Å; V206-Q210 VanDerWaalsContact O-CG 3.26Å; V206-Q210 WeakPolarHBondContact O-CG 3.41Å; V206-Q210 PolarHBondContact O-N 2.77Å
207	R	98.3	Very high	97.9	Very high	40 Å²	40	35 Å²	35	15%	0.151	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-44.3	178.3	179.3	57.7	173.6	167.7	-0.3	110.8	E113 F190 A191 Q202 F204 W205 Q210 L211	E113-R207 IonicContact OE1-NH2 2.84Å; F190-R207 VanDerWaalsContact O-CB 3.26Å; F190-R207 WeakPolarHBondContact O-CB 3.37Å; F190-R207 WeakPolarHBondContact O-CG 3.39Å; A191-R207 VanDerWaalsContact O-CG 3.25Å; A191-R207 WeakPolarHBondContact O-CG 3.46Å; A191-R207 PolarHBondContact O-NE 2.91Å; Q202-R207 HydrophobicContact CG-CG 4.47Å; F204-R207 PolarHBondContact O-N 3.14Å; W205-R207 VanDerWaalsContact C-N 3.32Å; W205-R207 PolarHBondContact O-N 3.46Å; R207-Q210 PolarHBondContact O-N 3.18Å; R207-L211 HydrophobicContact CG-CD1 4.08Å; R207-L211 WeakPolarHBondContact O-CB 3.19Å; R207-L211 VanDerWaalsContact O-CG 3.3Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 2.91Å; R207-L211 VanDerWaalsContact O-N 3.07Å
208	F	98.7	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-50.8	172.6	-174.8	-78.3	0	0	0	111	L87 F88 F204 W205 Q210 L211 E212 I217 I233 Y235 F247	L87-F208 HydrophobicContact CB-CE1 4.14Å; L87-F208 HydrophobicContact CD2-CE1 3.93Å; L87-F208 HydrophobicContact CD2-CZ 4.27Å; F88-F208 AromaticContact CD2-CD1 3.85Å; F88-F208 HydrophobicContact CD2-CD1 3.85Å; F88-F208 HydrophobicContact CD2-CE1 4.1Å; F88-F208 AromaticContact CE2-CD1 3.49Å; F88-F208 HydrophobicContact CE2-CD1 3.49Å; F88-F208 VanDerWaalsContact CE2-CD1 3.49Å; F88-F208 HydrophobicContact CE2-CE1 4.02Å; F88-F208 HydrophobicContact CE2-CG 4.44Å; F204-F208 PolarHBondContact O-N 2.85Å; W205-F208 PolarHBondContact O-N 3.2Å; F208-Q210 PolarHBondContact O-N 2.87Å; F208-L211 PolarHBondContact O-N 2.79Å; F208-E212 HydrophobicContact CD1-CB 4.41Å; F208-E212 HydrophobicContact CE1-CB 4.23Å; F208-E212 WeakPolarHBondContact O-CB 3.3Å; F208-E212 PolarHBondContact O-N 2.7Å; F208-I217 HydrophobicContact CD2-CD1 3.62Å; F208-I217 HydrophobicContact CD2-CG2 4.43Å; F208-I217 HydrophobicContact CE1-CG2 4.11Å; F208-I217 HydrophobicContact CE2-CD1 3.89Å; F208-I217 HydrophobicContact CE2-CG2 3.69Å; F208-I217 HydrophobicContact CG-CD1 4.03Å; F208-I217 HydrophobicContact CZ-CG2 3.52Å; F208-I233 HydrophobicContact CD2-CD1 4.07Å; F208-I233 HydrophobicContact CE1-CD1 4.35Å; F208-I233 HydrophobicContact CE2-CD1 3.35Å; F208-I233 HydrophobicContact CZ-CD1 3.51Å; F208-Y235 HydrophobicContact CD2-CE1 4.16Å; F208-Y235 HydrophobicContact CD2-CE2 4.24Å; F208-Y235 AromaticContact CE2-CD1 3.68Å; F208-Y235 HydrophobicContact CE2-CD1 3.68Å; F208-Y235 AromaticContact CE2-CD2 3.86Å; F208-Y235 HydrophobicContact CE2-CD2 3.86Å; F208-Y235 AromaticContact CE2-CE1 3.78Å; F208-Y235 HydrophobicContact CE2-CE1 3.78Å; F208-Y235 AromaticContact CE2-CE2 3.99Å; F208-Y235 HydrophobicContact CE2-CE2 3.99Å; F208-Y235 AromaticContact CE2-CG 3.69Å; F208-Y235 HydrophobicContact CE2-CG 3.69Å; F208-Y235 AromaticContact CE2-CZ 3.94Å; F208-Y235 HydrophobicContact CZ-CG 4.42Å; F208-F247 HydrophobicContact CB-CD1 4.45Å; F208-F247 HydrophobicContact CB-CE1 3.81Å; F208-F247 HydrophobicContact CB-CZ 4.13Å; F208-F247 HydrophobicContact CD1-CE1 4.31Å; F208-F247 HydrophobicContact CD1-CZ 4.07Å; F208-F247 AromaticContact CD2-CE1 3.62Å; F208-F247 HydrophobicContact CD2-CE1 3.62Å; F208-F247 HydrophobicContact CD2-CZ 4.16Å; F208-F247 HydrophobicContact CE2-CE1 4.25Å; F208-F247 AromaticContact CG-CE1 3.64Å; F208-F247 HydrophobicContact CG-CE1 3.64Å; F208-F247 AromaticContact CG-CZ 3.84Å; F208-F247 HydrophobicContact CG-CZ 3.84Å
209	Y	98.5	Very high	98	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.09	17%	0.167	C	C	.	.	H	α-helix	trans	-56.3	-47.5	178.7	168.2	-115.1	0	0	0	112.5	F88 V91 E93 L96 W205 V206 L211 E212 K213	F88-Y209 HydrophobicContact CB-CD2 3.58Å; F88-Y209 HydrophobicContact CB-CE2 4.08Å; F88-Y209 HydrophobicContact CD1-CD2 4.12Å; F88-Y209 HydrophobicContact CD2-CD2 4.3Å; F88-Y209 AromaticContact CG-CD2 3.75Å; F88-Y209 HydrophobicContact CG-CD2 3.75Å; F88-Y209 HydrophobicContact CG-CG 4.38Å; V91-Y209 HydrophobicContact CB-CD1 4.46Å; V91-Y209 HydrophobicContact CB-CD2 4.43Å; V91-Y209 HydrophobicContact CB-CE1 3.94Å; V91-Y209 HydrophobicContact CB-CE2 3.91Å; V91-Y209 HydrophobicContact CG1-CD1 4.41Å; V91-Y209 HydrophobicContact CG1-CE1 4.07Å; V91-Y209 HydrophobicContact CG2-CD1 4.2Å; V91-Y209 HydrophobicContact CG2-CD2 3.61Å; V91-Y209 HydrophobicContact CG2-CE1 4.09Å; V91-Y209 HydrophobicContact CG2-CE2 3.48Å; V91-Y209 VanDerWaalsContact CG2-CE2 3.48Å; V91-Y209 HydrophobicContact CG2-CG 3.96Å; E93-Y209 HydrophobicContact CG-CE1 4.41Å; E93-Y209 WeakPolarHBondContact OE1-CE1 3.25Å; E93-Y209 PolarHBondContact OE1-OH 2.69Å; L96-Y209 HydrophobicContact CD1-CE1 4.21Å; W205-Y209 WeakPolarHBondContact O-CB 3.43Å; W205-Y209 PolarHBondContact O-N 3.31Å; V206-Y209 PolarHBondContact O-N 3.4Å; Y209-L211 VanDerWaalsContact C-N 3.32Å; Y209-L211 PolarHBondContact O-N 2.72Å; Y209-E212 PolarHBondContact O-N 2.82Å; Y209-K213 HydrophobicContact CE1-CD 4.4Å; Y209-K213 HydrophobicContact CE2-CB 4.38Å; Y209-K213 VanDerWaalsContact O-CB 3.24Å; Y209-K213 WeakPolarHBondContact O-CB 3.48Å; Y209-K213 PolarHBondContact O-N 3.03Å
210	Q	98.2	Very high	98.1	Very high	61 Å²	61	31.3 Å²	31.3	29%	0.285	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-41.9	178.9	-74.6	171	-20.2	0	0	112	V206 R207 F208 A214	V206-Q210 HydrophobicContact CG1-CG 4.32Å; V206-Q210 WeakPolarHBondContact O-CB 3.35Å; V206-Q210 VanDerWaalsContact O-CG 3.26Å; V206-Q210 WeakPolarHBondContact O-CG 3.41Å; V206-Q210 PolarHBondContact O-N 2.77Å; R207-Q210 PolarHBondContact O-N 3.18Å; F208-Q210 PolarHBondContact O-N 2.87Å; Q210-A214 VanDerWaalsContact O-CB 3.27Å; Q210-A214 WeakPolarHBondContact O-CB 3.35Å; Q210-A214 PolarHBondContact O-N 3.2Å
211	L	98.4	Very high	98.2	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-72.4	-38.6	179.5	-69.9	171.4	0	0	0	112.3	R207 F208 Y209 A214 G215 K216 I217 W237	R207-L211 HydrophobicContact CG-CD1 4.08Å; R207-L211 WeakPolarHBondContact O-CB 3.19Å; R207-L211 VanDerWaalsContact O-CG 3.3Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 2.91Å; R207-L211 VanDerWaalsContact O-N 3.07Å; F208-L211 PolarHBondContact O-N 2.79Å; Y209-L211 VanDerWaalsContact C-N 3.32Å; Y209-L211 PolarHBondContact O-N 2.72Å; L211-A214 PolarHBondContact O-N 3.08Å; L211-G215 PolarHBondContact O-N 3.22Å; L211-K216 HydrophobicContact CB-CB 4.41Å; L211-K216 HydrophobicContact CD2-CB 4.26Å; L211-K216 HydrophobicContact CD2-CD 3.68Å; L211-K216 WeakPolarHBondContact O-CA 3.47Å; L211-K216 WeakPolarHBondContact O-CB 3.46Å; L211-K216 PolarHBondContact O-N 3.41Å; L211-I217 HydrophobicContact CB-CB 4.45Å; L211-I217 HydrophobicContact CB-CD1 3.52Å; L211-I217 HydrophobicContact CB-CG1 3.76Å; L211-I217 HydrophobicContact CD1-CD1 3.92Å; L211-I217 HydrophobicContact CD1-CG1 4.49Å; L211-I217 HydrophobicContact CG-CD1 4.4Å; L211-I217 PolarHBondContact O-N 2.79Å; L211-W237 HydrophobicContact CD1-CD2 4.07Å; L211-W237 HydrophobicContact CD1-CE3 4.45Å; L211-W237 HydrophobicContact CD1-CH2 4.02Å; L211-W237 HydrophobicContact CD1-CZ2 3.54Å; L211-W237 HydrophobicContact CD1-CZ3 4.45Å; L211-W237 HydrophobicContact CD2-CZ2 3.78Å; L211-W237 HydrophobicContact CG-CZ2 4.33Å
212	E	98.6	Very high	98.3	Very high	15 Å²	15	33.1 Å²	33.1	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-47.6	173.8	-175.9	176.2	-112.9	0	0	110.9	P86 L87 F88 F208 Y209 A214 G215 I217	P86-E212 WeakPolarHBondContact CA-OE1 3.4Å; P86-E212 HydrophobicContact CB-CG 4.03Å; L87-E212 WeakPolarHBondContact CB-OE1 3.2Å; L87-E212 PolarHBondContact N-OE1 2.84Å; L87-E212 PolarHBondContact N-OE2 3.38Å; F88-E212 WeakPolarHBondContact CB-OE2 3.38Å; F88-E212 WeakPolarHBondContact CD2-OE2 3.45Å; F88-E212 PolarHBondContact N-OE2 3.41Å; F208-E212 HydrophobicContact CD1-CB 4.41Å; F208-E212 HydrophobicContact CE1-CB 4.23Å; F208-E212 WeakPolarHBondContact O-CB 3.3Å; F208-E212 PolarHBondContact O-N 2.7Å; Y209-E212 PolarHBondContact O-N 2.82Å; E212-A214 PolarHBondContact O-N 3.42Å; E212-G215 PolarHBondContact O-N 3.28Å; E212-I217 HydrophobicContact CB-CB 4.19Å; E212-I217 HydrophobicContact CB-CG2 4.28Å
213	K	98	Very high	98.3	Very high	125 Å²	125	34.9 Å²	34.9	54%	0.543	19%	0.187	S	C	.	.	H	α-helix	trans	-58.9	-35.1	175.3	-173.3	-176.6	-176.3	-175.9	0	112.3	E93 Y209 G215	E93-K213 IonicContact OE1-NZ 3.61Å; E93-K213 PolarHBondContact OE1-NZ 3.15Å; E93-K213 IonicContact OE2-NZ 3.46Å; E93-K213 PolarHBondContact OE2-NZ 3.4Å; Y209-K213 HydrophobicContact CE1-CD 4.4Å; Y209-K213 HydrophobicContact CE2-CB 4.38Å; Y209-K213 VanDerWaalsContact O-CB 3.24Å; Y209-K213 WeakPolarHBondContact O-CB 3.48Å; Y209-K213 PolarHBondContact O-N 3.03Å; K213-G215 PolarHBondContact O-N 2.91Å
214	A	98	Very high	98.3	Very high	68 Å²	68	36.3 Å²	36.3	56%	0.562	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	3.4	175.7	0	0	0	0	0	113.9	Q210 L211 E212 K216	Q210-A214 VanDerWaalsContact O-CB 3.27Å; Q210-A214 WeakPolarHBondContact O-CB 3.35Å; Q210-A214 PolarHBondContact O-N 3.2Å; L211-A214 PolarHBondContact O-N 3.08Å; E212-A214 PolarHBondContact O-N 3.42Å; A214-K216 HydrophobicContact CB-CG 4.31Å; A214-K216 PolarHBondContact O-N 3.23Å
215	G	98.1	Very high	98.2	Very high	68 Å²	68	37.4 Å²	37.4	70%	0.701	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	16.8	-178.4	0	0	0	0	0	114.1	L211 E212 K213	L211-G215 PolarHBondContact O-N 3.22Å; E212-G215 PolarHBondContact O-N 3.28Å; K213-G215 PolarHBondContact O-N 2.91Å
216	K	98.3	Very high	98	Very high	98 Å²	98	40.9 Å²	40.9	43%	0.426	22%	0.219	S	C	.	.			trans	-89.5	-27.2	179.7	-67	-174.7	171	-170.9	0	112.8	E113 L211 A214 W237 G238	E113-K216 IonicContact OE1-NZ 2.99Å; L211-K216 HydrophobicContact CB-CB 4.41Å; L211-K216 HydrophobicContact CD2-CB 4.26Å; L211-K216 HydrophobicContact CD2-CD 3.68Å; L211-K216 WeakPolarHBondContact O-CA 3.47Å; L211-K216 WeakPolarHBondContact O-CB 3.46Å; L211-K216 PolarHBondContact O-N 3.41Å; A214-K216 HydrophobicContact CB-CG 4.31Å; A214-K216 PolarHBondContact O-N 3.23Å; K216-W237 CarbonylContact O-C 3.58Å; K216-W237 WeakPolarHBondContact O-CA 3.36Å; K216-G238 PolarHBondContact O-N 3.38Å
217	I	98.5	Very high	97.6	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.7	176.8	-78.2	177.3	0	0	0	110.1	F208 L211 E212 Y235 D236 W237	F208-I217 HydrophobicContact CD2-CD1 3.62Å; F208-I217 HydrophobicContact CD2-CG2 4.43Å; F208-I217 HydrophobicContact CE1-CG2 4.11Å; F208-I217 HydrophobicContact CE2-CD1 3.89Å; F208-I217 HydrophobicContact CE2-CG2 3.69Å; F208-I217 HydrophobicContact CG-CD1 4.03Å; F208-I217 HydrophobicContact CZ-CG2 3.52Å; L211-I217 HydrophobicContact CB-CB 4.45Å; L211-I217 HydrophobicContact CB-CD1 3.52Å; L211-I217 HydrophobicContact CB-CG1 3.76Å; L211-I217 HydrophobicContact CD1-CD1 3.92Å; L211-I217 HydrophobicContact CD1-CG1 4.49Å; L211-I217 HydrophobicContact CG-CD1 4.4Å; L211-I217 PolarHBondContact O-N 2.79Å; E212-I217 HydrophobicContact CB-CB 4.19Å; E212-I217 HydrophobicContact CB-CG2 4.28Å; I217-Y235 HydrophobicContact CD1-CD2 4.24Å; I217-Y235 HydrophobicContact CD1-CE2 4.01Å; I217-Y235 HydrophobicContact CG1-CD2 4.23Å; I217-Y235 HydrophobicContact CG1-CE2 4.35Å; I217-Y235 HydrophobicContact CG2-CD2 3.98Å; I217-Y235 HydrophobicContact CG2-CG 4.41Å; I217-D236 CarbonylContact C-O 3.48Å; I217-D236 VanDerWaalsContact CA-O 3.27Å; I217-D236 WeakPolarHBondContact CA-O 3.3Å; I217-W237 HydrophobicContact CG1-CB 4.15Å; I217-W237 HydrophobicContact CG1-CG 4.17Å
218	N	98.1	Very high	97	Very high	63 Å²	63	48.3 Å²	48.3	34%	0.337	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.9	165.8	-174.4	21.8	0	0	0	109.8	D81 K220 Y235 D236	D81-N218 PolarHBondContact OD2-ND2 2.87Å; D81-N218 VanDerWaalsContact OD2-ND2 3.12Å; N218-K220 WeakPolarHBondContact ND2-CE 3.46Å; N218-K220 PolarHBondContact ND2-NZ 2.82Å; N218-Y235 CarbonylContact O-C 3.55Å; N218-Y235 VanDerWaalsContact O-CA 3.25Å; N218-Y235 WeakPolarHBondContact O-CA 3.31Å; N218-Y235 VanDerWaalsContact O-CB 3.24Å; N218-Y235 WeakPolarHBondContact O-CB 3.18Å; N218-D236 HydrophobicContact CB-CB 4.47Å; N218-D236 PolarHBondContact N-O 2.78Å; N218-D236 PolarHBondContact O-N 3.39Å
219	Y	98.5	Very high	96.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.8	175	169.6	-124.4	0	0	0	110.7	F70 A83 L87 G221 Y222 I233	F70-Y219 PolarHBondContact O-OH 2.72Å; A83-Y219 HydrophobicContact CB-CD1 3.39Å; A83-Y219 HydrophobicContact CB-CE1 3.31Å; A83-Y219 HydrophobicContact CB-CG 4.13Å; L87-Y219 HydrophobicContact CB-CD1 3.68Å; L87-Y219 HydrophobicContact CB-CD2 4.25Å; L87-Y219 HydrophobicContact CB-CE1 4.08Å; L87-Y219 HydrophobicContact CB-CG 3.78Å; L87-Y219 HydrophobicContact CD1-CD1 4.46Å; L87-Y219 HydrophobicContact CD1-CE1 3.98Å; L87-Y219 HydrophobicContact CD1-CE2 4.39Å; Y219-G221 WeakPolarHBondContact CE2-O 3.4Å; Y219-G221 VanDerWaalsContact CZ-C 3.47Å; Y219-G221 VanDerWaalsContact CZ-CA 3.46Å; Y219-G221 WeakPolarHBondContact OH-CA 3.35Å; Y219-Y222 WeakPolarHBondContact OH-CB 3.42Å; Y219-Y222 PolarHBondContact OH-N 2.99Å; Y219-I233 HydrophobicContact CD2-CB 4.18Å; Y219-I233 HydrophobicContact CD2-CD1 4.28Å; Y219-I233 HydrophobicContact CD2-CG2 4.29Å; Y219-I233 HydrophobicContact CE2-CB 3.76Å; Y219-I233 HydrophobicContact CE2-CG2 3.52Å
220	K	98.3	Very high	96.8	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-8.6	-173.7	-63.7	-64.2	-169.1	171.3	0	115	D81 R82 A83 N218 H234 D236	D81-K220 HydrophobicContact CB-CD 3.96Å; D81-K220 VanDerWaalsContact OD2-CD 3.23Å; D81-K220 WeakPolarHBondContact OD2-CD 3.4Å; D81-K220 WeakPolarHBondContact OD2-CE 3.49Å; D81-K220 IonicContact OD2-NZ 3.91Å; D81-K220 PolarHBondContact OD2-NZ 2.89Å; R82-K220 WeakPolarHBondContact CA-O 3.29Å; R82-K220 WeakPolarHBondContact CB-O 3.2Å; R82-K220 PolarHBondContact N-O 3.15Å; A83-K220 VanDerWaalsContact CB-C 3.5Å; A83-K220 PolarHBondContact N-O 2.92Å; N218-K220 WeakPolarHBondContact ND2-CE 3.46Å; N218-K220 PolarHBondContact ND2-NZ 2.82Å; K220-H234 WeakPolarHBondContact CA-O 3.31Å; K220-H234 HydrophobicContact CB-CB 4.23Å; K220-H234 WeakPolarHBondContact CB-O 3.42Å; K220-H234 PolarHBondContact N-O 2.95Å; K220-D236 WeakPolarHBondContact CE-OD2 3.23Å; K220-D236 IonicContact NZ-OD2 2.63Å
221	G	98.5	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	169.5	179.3	0	0	0	0	0	113.6	G72 T74 Y219 I233 H234	G72-G221 VanDerWaalsContact O-CA 3.3Å; G72-G221 WeakPolarHBondContact O-CA 3.35Å; T74-G221 VanDerWaalsContact CG2-O 3.28Å; T74-G221 WeakPolarHBondContact CG2-O 3.03Å; Y219-G221 WeakPolarHBondContact CE2-O 3.4Å; Y219-G221 VanDerWaalsContact CZ-C 3.47Å; Y219-G221 VanDerWaalsContact CZ-CA 3.46Å; Y219-G221 WeakPolarHBondContact OH-CA 3.35Å; G221-I233 WeakPolarHBondContact O-CA 3.26Å; G221-H234 PolarHBondContact O-N 3.11Å
222	Y	98.4	Very high	96.8	Very high	63 Å²	63	46.1 Å²	46.1	25%	0.247	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144	-176.9	76.9	-88	0	0	0	112.2	F70 G72 K73 T74 Y219 A225	F70-Y222 HydrophobicContact CB-CD1 3.9Å; F70-Y222 HydrophobicContact CB-CE1 4.47Å; F70-Y222 HydrophobicContact CB-CG 4.4Å; F70-Y222 HydrophobicContact CD1-CG 4.3Å; F70-Y222 WeakPolarHBondContact O-CD1 3.3Å; G72-Y222 VanDerWaalsContact O-CD1 3.26Å; G72-Y222 WeakPolarHBondContact O-CD1 3.36Å; G72-Y222 PolarHBondContact O-N 2.86Å; G72-Y222 VanDerWaalsContact O-N 3.11Å; K73-Y222 CarbonylContact C-O 3.45Å; K73-Y222 VanDerWaalsContact CA-O 3.32Å; K73-Y222 WeakPolarHBondContact CA-O 3.08Å; K73-Y222 HydrophobicContact CB-CD1 4.44Å; K73-Y222 HydrophobicContact CB-CE1 3.83Å; K73-Y222 HydrophobicContact CB-CE2 4Å; K73-Y222 HydrophobicContact CD-CE2 4.23Å; K73-Y222 HydrophobicContact CG-CD2 4.3Å; K73-Y222 HydrophobicContact CG-CE2 3.82Å; K73-Y222 WeakPolarHBondContact CG-O 3.36Å; K73-Y222 VanDerWaalsContact N-CE1 3.32Å; T74-Y222 PolarHBondContact N-O 2.66Å; Y219-Y222 WeakPolarHBondContact OH-CB 3.42Å; Y219-Y222 PolarHBondContact OH-N 2.99Å; Y222-A225 HydrophobicContact CD2-CB 3.7Å; Y222-A225 HydrophobicContact CE2-CB 4.12Å; Y222-A225 HydrophobicContact CG-CB 4.09Å
223	I	98	Very high	96.8	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.195	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-50.1	169.1	-59.7	171	0	0	0	108.6	T74 P76 T232 I244	T74-I223 HydrophobicContact CG2-CG1 4.2Å; P76-I223 HydrophobicContact CG-CD1 4.39Å; I223-T232 HydrophobicContact CB-CG2 4.17Å; I223-T232 PolarHBondContact N-O 3.43Å; I223-I244 HydrophobicContact CD1-CB 4.32Å; I223-I244 HydrophobicContact CD1-CG1 3.92Å; I223-I244 HydrophobicContact CD1-CG2 4.14Å
224	V	97.3	Very high	96.8	Very high	45 Å²	45	39.6 Å²	39.6	27%	0.273	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122	172.8	-173.3	0	0	0	0	109.1	T232	V224-T232 PolarHBondContact N-O 2.9Å; V224-T232 VanDerWaalsContact N-O 3.09Å; V224-T232 PolarHBondContact O-N 3.39Å
225	A	96.1	Very high	96.8	Very high	23 Å²	23	36.4 Å²	36.4	19%	0.19	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	176.4	0	0	0	0	0	110.6	F70 Y222	F70-A225 HydrophobicContact CD1-CB 3.69Å; F70-A225 HydrophobicContact CD2-CB 4.07Å; F70-A225 HydrophobicContact CE1-CB 3.66Å; F70-A225 HydrophobicContact CE2-CB 4.06Å; F70-A225 HydrophobicContact CG-CB 3.89Å; F70-A225 HydrophobicContact CZ-CB 3.85Å; Y222-A225 HydrophobicContact CD2-CB 3.7Å; Y222-A225 HydrophobicContact CE2-CB 4.12Å; Y222-A225 HydrophobicContact CG-CB 4.09Å
226	R	94.5	Very high	96.8	Very high	73 Å²	73	35 Å²	35	28%	0.275	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	94.8	165.8	-60.7	-67.9	-179.2	-111	4.6	107.2	E228 L229 S230 F282	R226-E228 PolarHBondContact O-N 3.22Å; R226-L229 HydrophobicContact CB-CB 4.12Å; R226-L229 PolarHBondContact O-N 2.85Å; R226-S230 WeakPolarHBondContact CB-OG 3.31Å; R226-S230 WeakPolarHBondContact CG-OG 3.32Å; R226-S230 PolarHBondContact N-O 2.83Å; R226-S230 VanDerWaalsContact N-O 3.13Å; R226-S230 PolarHBondContact O-N 3.1Å; R226-S230 VanDerWaalsContact O-O 3.07Å; R226-F282 HydrophobicContact CG-CZ 4.3Å
227	P	89.4	Confident	96.8	Very high	95 Å²	95	30.4 Å²	30.4	62%	0.617	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	134.5	-178.7	-29.1	35.6	0	0	0	111.8	F70 L229	F70-P227 HydrophobicContact CE2-CG 4.44Å; P227-L229 PolarHBondContact O-N 3.13Å
228	E	87.2	Confident	96.7	Very high	105 Å²	105	32.5 Å²	32.5	49%	0.491	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-2.8	-178.4	-51.7	-174.1	152.7	0	0	116.7	R226	R226-E228 PolarHBondContact O-N 3.22Å
229	L	95.3	Very high	96.7	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.079	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-42.4	-172.1	-64.1	-179.7	0	0	0	115.2	R226 P227 L248 V249 E278 F280 F282	R226-L229 HydrophobicContact CB-CB 4.12Å; R226-L229 PolarHBondContact O-N 2.85Å; P227-L229 PolarHBondContact O-N 3.13Å; L229-L248 CarbonylContact O-C 3.48Å; L229-L248 WeakPolarHBondContact O-CA 3.41Å; L229-V249 PolarHBondContact O-N 2.64Å; L229-E278 WeakPolarHBondContact CD2-OE2 3.42Å; L229-F280 HydrophobicContact CD1-CB 4.33Å; L229-F280 HydrophobicContact CD1-CD2 3.32Å; L229-F280 HydrophobicContact CD1-CE2 3.91Å; L229-F280 HydrophobicContact CD1-CG 4.1Å; L229-F282 HydrophobicContact CB-CZ 4.17Å
230	S	97.6	Very high	96.6	Very high	4 Å²	4	40 Å²	40	3%	0.028	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	154.9	-179.7	71.3	0	0	0	0	111.8	R226 F247 F282 S302	R226-S230 WeakPolarHBondContact CB-OG 3.31Å; R226-S230 WeakPolarHBondContact CG-OG 3.32Å; R226-S230 PolarHBondContact N-O 2.83Å; R226-S230 VanDerWaalsContact N-O 3.13Å; R226-S230 PolarHBondContact O-N 3.1Å; R226-S230 VanDerWaalsContact O-O 3.07Å; S230-F247 VanDerWaalsContact CA-O 3.3Å; S230-F247 WeakPolarHBondContact CA-O 3.35Å; S230-F247 WeakPolarHBondContact CB-O 3.38Å; S230-F282 WeakPolarHBondContact OG-CE1 3.42Å; S230-S302 PolarHBondContact OG-OG 2.87Å
231	A	98.2	Very high	96.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.2	170.6	0	0	0	0	0	109	F70 L87 I233 G246 F247 V249	F70-A231 HydrophobicContact CE1-CB 3.92Å; F70-A231 HydrophobicContact CZ-CB 4.45Å; L87-A231 HydrophobicContact CD2-CB 4.28Å; A231-I233 HydrophobicContact CB-CG2 3.8Å; A231-G246 WeakPolarHBondContact O-CA 3.33Å; A231-F247 HydrophobicContact CB-CD2 4.35Å; A231-F247 HydrophobicContact CB-CE2 3.76Å; A231-F247 HydrophobicContact CB-CZ 4.07Å; A231-F247 PolarHBondContact N-O 2.8Å; A231-F247 VanDerWaalsContact N-O 3.07Å; A231-F247 PolarHBondContact O-N 2.92Å; A231-F247 VanDerWaalsContact O-N 3.13Å; A231-V249 HydrophobicContact CB-CG2 4.48Å
232	T	98.4	Very high	96.6	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.3	161.9	-53.4	0	0	0	0	107.2	I223 V224 I244 G245	I223-T232 HydrophobicContact CB-CG2 4.17Å; I223-T232 PolarHBondContact N-O 3.43Å; V224-T232 PolarHBondContact N-O 2.9Å; V224-T232 VanDerWaalsContact N-O 3.09Å; V224-T232 PolarHBondContact O-N 3.39Å; T232-I244 HydrophobicContact CG2-CG2 3.9Å; T232-G245 CarbonylContact C-O 3.3Å; T232-G245 VanDerWaalsContact CA-O 3.25Å; T232-G245 WeakPolarHBondContact CA-O 3.3Å
233	I	98.3	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160	-158.4	55.8	170.3	0	0	0	111.9	L87 F208 Y219 G221 A231 Y235 G245 F247	L87-I233 HydrophobicContact CD2-CD1 3.95Å; L87-I233 HydrophobicContact CD2-CG2 4.4Å; F208-I233 HydrophobicContact CD2-CD1 4.07Å; F208-I233 HydrophobicContact CE1-CD1 4.35Å; F208-I233 HydrophobicContact CE2-CD1 3.35Å; F208-I233 HydrophobicContact CZ-CD1 3.51Å; Y219-I233 HydrophobicContact CD2-CB 4.18Å; Y219-I233 HydrophobicContact CD2-CD1 4.28Å; Y219-I233 HydrophobicContact CD2-CG2 4.29Å; Y219-I233 HydrophobicContact CE2-CB 3.76Å; Y219-I233 HydrophobicContact CE2-CG2 3.52Å; G221-I233 WeakPolarHBondContact O-CA 3.26Å; A231-I233 HydrophobicContact CB-CG2 3.8Å; I233-Y235 HydrophobicContact CD1-CD1 3.82Å; I233-Y235 HydrophobicContact CD1-CE1 4.13Å; I233-Y235 HydrophobicContact CG1-CD1 3.91Å; I233-Y235 HydrophobicContact CG1-CE1 4.18Å; I233-G245 PolarHBondContact N-O 2.9Å; I233-G245 PolarHBondContact O-N 2.77Å; I233-F247 HydrophobicContact CD1-CE1 3.7Å; I233-F247 HydrophobicContact CD1-CZ 3.84Å; I233-F247 HydrophobicContact CG1-CE1 4.43Å
234	H	98	Very high	96.5	Very high	4 Å²	4	43 Å²	43	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.4	168.2	-171.1	168.9	0	0	0	107.7	T74 D75 E78 K220 G221 K241 K242	T74-H234 HydrophobicContact CG2-CB 3.54Å; D75-H234 PolarHBondContact O-ND1 3.36Å; E78-H234 PolarHBondContact O-CE1 3.46Å; K220-H234 WeakPolarHBondContact CA-O 3.31Å; K220-H234 HydrophobicContact CB-CB 4.23Å; K220-H234 WeakPolarHBondContact CB-O 3.42Å; K220-H234 PolarHBondContact N-O 2.95Å; G221-H234 PolarHBondContact O-N 3.11Å; H234-K241 WeakPolarHBondContact CE1-CE 3.49Å; H234-K241 WeakPolarHBondContact NE2-CE 3.41Å; H234-K242 WeakPolarHBondContact CA-O 3.39Å; H234-K242 PolarHBondContact CD2-O 3.17Å
235	Y	98.4	Very high	96.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	166.7	175.4	64.3	-84.4	0	0	0	112.5	Q202 F208 I217 N218 I233 K242	Q202-Y235 PolarHBondContact OE1-OH 3.15Å; F208-Y235 HydrophobicContact CD2-CE1 4.16Å; F208-Y235 HydrophobicContact CD2-CE2 4.24Å; F208-Y235 AromaticContact CE2-CD1 3.68Å; F208-Y235 HydrophobicContact CE2-CD1 3.68Å; F208-Y235 AromaticContact CE2-CD2 3.86Å; F208-Y235 HydrophobicContact CE2-CD2 3.86Å; F208-Y235 AromaticContact CE2-CE1 3.78Å; F208-Y235 HydrophobicContact CE2-CE1 3.78Å; F208-Y235 AromaticContact CE2-CE2 3.99Å; F208-Y235 HydrophobicContact CE2-CE2 3.99Å; F208-Y235 AromaticContact CE2-CG 3.69Å; F208-Y235 HydrophobicContact CE2-CG 3.69Å; F208-Y235 AromaticContact CE2-CZ 3.94Å; F208-Y235 HydrophobicContact CZ-CG 4.42Å; I217-Y235 HydrophobicContact CD1-CD2 4.24Å; I217-Y235 HydrophobicContact CD1-CE2 4.01Å; I217-Y235 HydrophobicContact CG1-CD2 4.23Å; I217-Y235 HydrophobicContact CG1-CE2 4.35Å; I217-Y235 HydrophobicContact CG2-CD2 3.98Å; I217-Y235 HydrophobicContact CG2-CG 4.41Å; N218-Y235 CarbonylContact O-C 3.55Å; N218-Y235 VanDerWaalsContact O-CA 3.25Å; N218-Y235 WeakPolarHBondContact O-CA 3.31Å; N218-Y235 VanDerWaalsContact O-CB 3.24Å; N218-Y235 WeakPolarHBondContact O-CB 3.18Å; I233-Y235 HydrophobicContact CD1-CD1 3.82Å; I233-Y235 HydrophobicContact CD1-CE1 4.13Å; I233-Y235 HydrophobicContact CG1-CD1 3.91Å; I233-Y235 HydrophobicContact CG1-CE1 4.18Å; Y235-K242 HydrophobicContact CD1-CB 4.07Å; Y235-K242 HydrophobicContact CD1-CD 4.38Å; Y235-K242 HydrophobicContact CD2-CB 4.33Å; Y235-K242 HydrophobicContact CE1-CB 3.83Å; Y235-K242 HydrophobicContact CE1-CD 3.38Å; Y235-K242 HydrophobicContact CE1-CG 4.09Å; Y235-K242 HydrophobicContact CE2-CB 4.08Å; Y235-K242 HydrophobicContact CE2-CD 4.19Å; Y235-K242 HydrophobicContact CG-CB 4.33Å; Y235-K242 PolarHBondContact N-O 3.18Å; Y235-K242 WeakPolarHBondContact O-CA 2.99Å; Y235-K242 PolarHBondContact O-N 2.81Å; Y235-K242 WeakPolarHBondContact OH-CD 3.21Å
236	D	98	Very high	96.5	Very high	39 Å²	39	40.1 Å²	40.1	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.4	168.1	-58.9	-41.9	0	0	0	110.4	I217 N218 K220 C240	I217-D236 CarbonylContact C-O 3.48Å; I217-D236 VanDerWaalsContact CA-O 3.27Å; I217-D236 WeakPolarHBondContact CA-O 3.3Å; N218-D236 HydrophobicContact CB-CB 4.47Å; N218-D236 PolarHBondContact N-O 2.78Å; N218-D236 PolarHBondContact O-N 3.39Å; K220-D236 WeakPolarHBondContact CE-OD2 3.23Å; K220-D236 IonicContact NZ-OD2 2.63Å; D236-C240 CarbonylContact C-O 3.53Å; D236-C240 WeakPolarHBondContact CA-O 2.97Å
237	W	98	Very high	96.7	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	98.1	166.6	-177.4	9.1	0	0	0	109.1	E113 K194 V199 L211 K216 I217 K239 C240	E113-W237 HydrophobicContact CB-CH2 4.31Å; E113-W237 HydrophobicContact CG-CH2 3.79Å; E113-W237 HydrophobicContact CG-CZ2 3.78Å; E113-W237 VanDerWaalsContact OE1-CZ2 3.25Å; E113-W237 WeakPolarHBondContact OE1-CZ2 3.42Å; E113-W237 WeakPolarHBondContact OE2-CZ2 3.48Å; K194-W237 HydrophobicContact CD-CE3 4.44Å; K194-W237 HydrophobicContact CG-CE3 4.2Å; K194-W237 HydrophobicContact CG-CZ3 4.35Å; V199-W237 HydrophobicContact CG1-CE3 3.89Å; V199-W237 HydrophobicContact CG2-CB 3.67Å; V199-W237 HydrophobicContact CG2-CE3 4.38Å; L211-W237 HydrophobicContact CD1-CD2 4.07Å; L211-W237 HydrophobicContact CD1-CE3 4.45Å; L211-W237 HydrophobicContact CD1-CH2 4.02Å; L211-W237 HydrophobicContact CD1-CZ2 3.54Å; L211-W237 HydrophobicContact CD1-CZ3 4.45Å; L211-W237 HydrophobicContact CD2-CZ2 3.78Å; L211-W237 HydrophobicContact CG-CZ2 4.33Å; K216-W237 CarbonylContact O-C 3.58Å; K216-W237 WeakPolarHBondContact O-CA 3.36Å; I217-W237 HydrophobicContact CG1-CB 4.15Å; I217-W237 HydrophobicContact CG1-CG 4.17Å; W237-K239 PolarHBondContact O-N 2.95Å; W237-C240 PolarHBondContact N-O 3.02Å; W237-C240 PolarHBondContact O-N 2.89Å
238	G	96.6	Very high	97.1	Very high	55 Å²	55	32.2 Å²	32.2	57%	0.567	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	-118.8	-166.2	0	0	0	0	0	110.6	K216	K216-G238 PolarHBondContact O-N 3.38Å
239	K	96.7	Very high	97.6	Very high	207 Å²	207	27.2 Å²	27.2	90%	0.9	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.7	179.5	-61.9	-177.8	-179.5	179.2	0	113.8	W237	W237-K239 PolarHBondContact O-N 2.95Å
240	C	98	Very high	97.8	Very high	14 Å²	14	26.8 Å²	26.8	10%	0.095	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.9	-176.7	-55.6	0	0	0	0	110.2	K194 D196 S197 V199 D236 W237	K194-C240 HydrophobicContact CD-CB 4.45Å; K194-C240 HydrophobicContact CG-CB 4.34Å; D196-C240 PolarHBondContact O-SG 2.96Å; S197-C240 CarbonylContact O-C 3.42Å; S197-C240 VanDerWaalsContact O-CA 3.31Å; S197-C240 WeakPolarHBondContact O-CA 3.31Å; V199-C240 HydrophobicContact CG2-CB 3.63Å; V199-C240 WeakPolarHBondContact CG2-O 3.48Å; D236-C240 CarbonylContact C-O 3.53Å; D236-C240 WeakPolarHBondContact CA-O 2.97Å; W237-C240 PolarHBondContact N-O 3.02Å; W237-C240 PolarHBondContact O-N 2.89Å
241	K	97.7	Very high	97.8	Very high	52 Å²	52	26.6 Å²	26.6	23%	0.226	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.4	-177.1	-171.9	172	-172.7	167.8	0	111.2	E79 S197 V199 H234	E79-K241 IonicContact OE1-NZ 3.06Å; E79-K241 PolarHBondContact OE1-NZ 3.27Å; E79-K241 IonicContact OE2-NZ 3.65Å; E79-K241 PolarHBondContact OE2-NZ 2.86Å; S197-K241 PolarHBondContact O-N 3.33Å; V199-K241 PolarHBondContact N-O 2.63Å; H234-K241 WeakPolarHBondContact CE1-CE 3.49Å; H234-K241 WeakPolarHBondContact NE2-CE 3.41Å
242	K	97.9	Very high	97.8	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.057	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	96.1	163	-155.6	176.5	-172	77.4	0	110.8	V199 G201 H234 Y235 I244 G245	V199-K242 HydrophobicContact CB-CB 3.9Å; V199-K242 HydrophobicContact CB-CD 4.34Å; V199-K242 HydrophobicContact CB-CG 4.21Å; V199-K242 HydrophobicContact CG1-CB 4.45Å; V199-K242 HydrophobicContact CG1-CD 4.1Å; V199-K242 HydrophobicContact CG2-CB 4.4Å; V199-K242 PolarHBondContact O-NZ 2.84Å; G201-K242 WeakPolarHBondContact O-CE 3.41Å; G201-K242 PolarHBondContact O-NZ 2.8Å; H234-K242 WeakPolarHBondContact CA-O 3.39Å; H234-K242 PolarHBondContact CD2-O 3.17Å; Y235-K242 HydrophobicContact CD1-CB 4.07Å; Y235-K242 HydrophobicContact CD1-CD 4.38Å; Y235-K242 HydrophobicContact CD2-CB 4.33Å; Y235-K242 HydrophobicContact CE1-CB 3.83Å; Y235-K242 HydrophobicContact CE1-CD 3.38Å; Y235-K242 HydrophobicContact CE1-CG 4.09Å; Y235-K242 HydrophobicContact CE2-CB 4.08Å; Y235-K242 HydrophobicContact CE2-CD 4.19Å; Y235-K242 HydrophobicContact CG-CB 4.33Å; Y235-K242 PolarHBondContact N-O 3.18Å; Y235-K242 WeakPolarHBondContact O-CA 2.99Å; Y235-K242 PolarHBondContact O-N 2.81Å; Y235-K242 WeakPolarHBondContact OH-CD 3.21Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.79Å; K242-G245 VanDerWaalsContact CE-CA 3.42Å
243	A	97.4	Very high	97.8	Very high	35 Å²	35	25.6 Å²	25.6	29%	0.289	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-37.6	-179.1	0	0	0	0	0	112.8	P76	P76-A243 HydrophobicContact CB-CB 4Å
244	I	97.6	Very high	97.8	Very high	99 Å²	99	25.8 Å²	25.8	51%	0.508	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	108.1	174.3	-49.3	180	0	0	0	109.1	P76 I223 T232 K242	P76-I244 HydrophobicContact CB-CD1 4.16Å; P76-I244 HydrophobicContact CB-CG1 3.9Å; P76-I244 HydrophobicContact CG-CD1 3.52Å; P76-I244 HydrophobicContact CG-CG1 3.57Å; I223-I244 HydrophobicContact CD1-CB 4.32Å; I223-I244 HydrophobicContact CD1-CG1 3.92Å; I223-I244 HydrophobicContact CD1-CG2 4.14Å; T232-I244 HydrophobicContact CG2-CG2 3.9Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.79Å
245	G	96.4	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	156.5	166.9	0	0	0	0	0	111.3	T232 I233 K242	T232-G245 CarbonylContact C-O 3.3Å; T232-G245 VanDerWaalsContact CA-O 3.25Å; T232-G245 WeakPolarHBondContact CA-O 3.3Å; I233-G245 PolarHBondContact N-O 2.9Å; I233-G245 PolarHBondContact O-N 2.77Å; K242-G245 VanDerWaalsContact CE-CA 3.42Å
246	G	97	Very high	97.9	Very high	8 Å²	8	25.5 Å²	25.5	8%	0.082	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	144	177	0	0	0	0	0	113.6	H203 A231	H203-G246 PolarHBondContact ND1-O 2.87Å; H203-G246 VanDerWaalsContact ND1-O 3.09Å; A231-G246 WeakPolarHBondContact O-CA 3.33Å
247	F	98.6	Very high	97.9	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.4	178.7	46.1	-103.4	0	0	0	111	L87 F88 H203 W205 F208 S230 A231 I233 V249	L87-F247 HydrophobicContact CD2-CZ 4.01Å; F88-F247 HydrophobicContact CE2-CE2 4.32Å; F88-F247 HydrophobicContact CE2-CZ 4.2Å; F88-F247 HydrophobicContact CZ-CE2 4.11Å; F88-F247 HydrophobicContact CZ-CZ 4.44Å; H203-F247 WeakPolarHBondContact O-CB 3.47Å; W205-F247 HydrophobicContact CB-CD2 3.47Å; W205-F247 VanDerWaalsContact CB-CD2 3.47Å; W205-F247 HydrophobicContact CB-CE2 3.82Å; W205-F247 HydrophobicContact CB-CG 4.09Å; F208-F247 HydrophobicContact CB-CD1 4.45Å; F208-F247 HydrophobicContact CB-CE1 3.81Å; F208-F247 HydrophobicContact CB-CZ 4.13Å; F208-F247 HydrophobicContact CD1-CE1 4.31Å; F208-F247 HydrophobicContact CD1-CZ 4.07Å; F208-F247 AromaticContact CD2-CE1 3.62Å; F208-F247 HydrophobicContact CD2-CE1 3.62Å; F208-F247 HydrophobicContact CD2-CZ 4.16Å; F208-F247 HydrophobicContact CE2-CE1 4.25Å; F208-F247 AromaticContact CG-CE1 3.64Å; F208-F247 HydrophobicContact CG-CE1 3.64Å; F208-F247 AromaticContact CG-CZ 3.84Å; F208-F247 HydrophobicContact CG-CZ 3.84Å; S230-F247 VanDerWaalsContact CA-O 3.3Å; S230-F247 WeakPolarHBondContact CA-O 3.35Å; S230-F247 WeakPolarHBondContact CB-O 3.38Å; A231-F247 HydrophobicContact CB-CD2 4.35Å; A231-F247 HydrophobicContact CB-CE2 3.76Å; A231-F247 HydrophobicContact CB-CZ 4.07Å; A231-F247 PolarHBondContact N-O 2.8Å; A231-F247 VanDerWaalsContact N-O 3.07Å; A231-F247 PolarHBondContact O-N 2.92Å; A231-F247 VanDerWaalsContact O-N 3.13Å; I233-F247 HydrophobicContact CD1-CE1 3.7Å; I233-F247 HydrophobicContact CD1-CZ 3.84Å; I233-F247 HydrophobicContact CG1-CE1 4.43Å; F247-V249 HydrophobicContact CD2-CG2 3.81Å; F247-V249 HydrophobicContact CE2-CG2 3.76Å
248	L	98.3	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	150.9	163.5	-62.8	179.5	0	0	0	109.1	W205 L229 T251 F255 L259 L277 F282 P300	W205-L248 VanDerWaalsContact CB-O 3.3Å; W205-L248 WeakPolarHBondContact CB-O 3.02Å; W205-L248 VanDerWaalsContact CD1-O 3.24Å; L229-L248 CarbonylContact O-C 3.48Å; L229-L248 WeakPolarHBondContact O-CA 3.41Å; L248-T251 HydrophobicContact CB-CG2 3.86Å; L248-T251 HydrophobicContact CD1-CG2 3.97Å; L248-F255 HydrophobicContact CD1-CE1 3.95Å; L248-L259 HydrophobicContact CD1-CD2 3.89Å; L248-L277 HydrophobicContact CD1-CD1 3.99Å; L248-L277 HydrophobicContact CD2-CD1 3.83Å; L248-L277 HydrophobicContact CG-CD1 4.5Å; L248-F282 HydrophobicContact CD2-CD1 4.17Å; L248-F282 HydrophobicContact CD2-CE1 4.14Å; L248-P300 HydrophobicContact CD1-CB 4.47Å; L248-P300 HydrophobicContact CD2-CB 3.84Å; L248-P300 HydrophobicContact CD2-CG 4.33Å; L248-P300 HydrophobicContact CG-CB 3.79Å; L248-P300 HydrophobicContact CG-CG 3.95Å
249	V	98.1	Very high	98	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.107	C	C	.	.	S	Bend	trans	-114.4	135.6	-179.5	176.2	0	0	0	0	109.5	I66 L68 L229 A231 F247 T251	I66-V249 HydrophobicContact CD1-CG1 3.94Å; I66-V249 HydrophobicContact CG2-CG1 3.93Å; L68-V249 HydrophobicContact CD1-CG1 4.14Å; L68-V249 HydrophobicContact CD1-CG2 4.09Å; L68-V249 HydrophobicContact CD2-CG1 4.48Å; L229-V249 PolarHBondContact O-N 2.64Å; A231-V249 HydrophobicContact CB-CG2 4.48Å; F247-V249 HydrophobicContact CD2-CG2 3.81Å; F247-V249 HydrophobicContact CE2-CG2 3.76Å; V249-T251 PolarHBondContact O-N 3.16Å
250	G	97.4	Very high	98.1	Very high	5 Å²	5	11.1 Å²	11.1	5%	0.052	7%	0.065	C	C	.	.	S	Bend	trans	75	7.8	175.3	0	0	0	0	0	114.7	R60 A61 I66	R60-G250 WeakPolarHBondContact CB-O 3.09Å; A61-G250 PolarHBondContact N-O 3.49Å; I66-G250 VanDerWaalsContact CD1-CA 3.48Å
251	T	98	Very high	98.2	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.006	6%	0.061	C	C	.	.			trans	-75.3	154.5	166.1	49.8	0	0	0	0	111.1	Y101 W205 L248 V249 F255 D256	Y101-T251 PolarHBondContact OH-O 2.89Å; W205-T251 PolarHBondContact NE1-O 3.05Å; L248-T251 HydrophobicContact CB-CG2 3.86Å; L248-T251 HydrophobicContact CD1-CG2 3.97Å; V249-T251 PolarHBondContact O-N 3.16Å; T251-F255 HydrophobicContact CG2-CD1 3.4Å; T251-F255 HydrophobicContact CG2-CE1 3.68Å; T251-F255 HydrophobicContact CG2-CG 4.33Å; T251-D256 WeakPolarHBondContact CB-OD1 3.47Å; T251-D256 WeakPolarHBondContact CG2-OD1 3.43Å; T251-D256 VanDerWaalsContact OG1-CG 3.27Å; T251-D256 PolarHBondContact OG1-OD1 3.31Å; T251-D256 PolarHBondContact OG1-OD2 2.71Å
252	S	98.5	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.			trans	-82.9	161.9	172.5	66.8	0	0	0	0	112.1	D57 Y101 E254 F255 D256	D57-S252 VanDerWaalsContact CG-OG 3.28Å; D57-S252 WeakPolarHBondContact OD1-CB 3.48Å; D57-S252 PolarHBondContact OD1-OG 2.66Å; Y101-S252 WeakPolarHBondContact OH-CA 3.38Å; S252-E254 VanDerWaalsContact CB-CD 3.43Å; S252-E254 VanDerWaalsContact CB-OE2 3.3Å; S252-E254 WeakPolarHBondContact CB-OE2 3.35Å; S252-E254 PolarHBondContact O-N 3.36Å; S252-E254 VanDerWaalsContact OG-CG 3.27Å; S252-E254 WeakPolarHBondContact OG-CG 3.29Å; S252-E254 PolarHBondContact OG-OE2 2.91Å; S252-F255 PolarHBondContact O-N 3.06Å; S252-F255 WeakPolarHBondContact OG-CB 3.41Å; S252-F255 PolarHBondContact OG-N 2.94Å; S252-F255 VanDerWaalsContact OG-N 3.12Å; S252-D256 PolarHBondContact O-N 2.82Å
253	P	98.7	Very high	98.1	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-53.9	-43.8	172.3	-25.6	34.8	0	0	0	111.7	Y101 L104 M136 F204 F255 F257	Y101-P253 HydrophobicContact CD1-CG 3.71Å; Y101-P253 HydrophobicContact CD2-CG 4.44Å; Y101-P253 VanDerWaalsContact CE1-CD 3.5Å; Y101-P253 HydrophobicContact CE1-CG 3.9Å; Y101-P253 HydrophobicContact CG-CG 4.02Å; Y101-P253 VanDerWaalsContact CZ-CD 3.49Å; L104-P253 HydrophobicContact CB-CB 4.45Å; L104-P253 HydrophobicContact CB-CG 4.4Å; L104-P253 HydrophobicContact CD2-CB 4.13Å; L104-P253 HydrophobicContact CD2-CG 3.89Å; M136-P253 HydrophobicContact SD-CB 4.33Å; F204-P253 HydrophobicContact CE1-CG 4.44Å; F204-P253 HydrophobicContact CZ-CB 4.38Å; F204-P253 HydrophobicContact CZ-CG 4.06Å; P253-F255 PolarHBondContact O-N 3.18Å; P253-F257 WeakPolarHBondContact O-CB 3.39Å; P253-F257 PolarHBondContact O-N 3.37Å
254	E	98.7	Very high	98	Very high	3 Å²	3	5.8 Å²	5.8	1%	0.014	3%	0.033	C	C	.	.	H	α-helix	trans	-67.4	-33.6	-179.1	62.4	-89.8	-147.9	0	0	113	S59 T100 M136 T139 P141 S252 S258	S59-E254 WeakPolarHBondContact CB-OE1 3.33Å; S59-E254 PolarHBondContact OG-OE1 3.21Å; T100-E254 WeakPolarHBondContact CB-OE2 3.28Å; T100-E254 HydrophobicContact CG2-CB 4.47Å; T100-E254 WeakPolarHBondContact CG2-OE2 3.42Å; T100-E254 PolarHBondContact OG1-OE2 3.4Å; M136-E254 HydrophobicContact SD-CB 3.88Å; T139-E254 HydrophobicContact CG2-CB 3.63Å; T139-E254 HydrophobicContact CG2-CG 3.78Å; T139-E254 WeakPolarHBondContact OG1-CB 3.26Å; P141-E254 HydrophobicContact CG-CG 4.04Å; S252-E254 VanDerWaalsContact CB-CD 3.43Å; S252-E254 VanDerWaalsContact CB-OE2 3.3Å; S252-E254 WeakPolarHBondContact CB-OE2 3.35Å; S252-E254 PolarHBondContact O-N 3.36Å; S252-E254 VanDerWaalsContact OG-CG 3.27Å; S252-E254 WeakPolarHBondContact OG-CG 3.29Å; S252-E254 PolarHBondContact OG-OE2 2.91Å; E254-S258 WeakPolarHBondContact O-CB 3.37Å; E254-S258 PolarHBondContact O-N 2.68Å; E254-S258 PolarHBondContact O-OG 3.27Å
255	F	98.8	Very high	97.9	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-67.2	-52	176.2	178.8	-92.1	0	0	0	111.5	V50 M53 R54 D57 L248 T251 S252 P253 S258 L259 L277	V50-F255 HydrophobicContact CG1-CE2 4.44Å; V50-F255 HydrophobicContact CG1-CZ 4.06Å; M53-F255 HydrophobicContact CB-CD2 4.19Å; M53-F255 HydrophobicContact CB-CE2 3.99Å; R54-F255 HydrophobicContact CB-CE2 3.71Å; R54-F255 HydrophobicContact CB-CZ 4.21Å; D57-F255 HydrophobicContact CB-CB 4.36Å; D57-F255 HydrophobicContact CB-CD2 4.18Å; D57-F255 VanDerWaalsContact OD2-CB 3.26Å; D57-F255 WeakPolarHBondContact OD2-CB 3.3Å; L248-F255 HydrophobicContact CD1-CE1 3.95Å; T251-F255 HydrophobicContact CG2-CD1 3.4Å; T251-F255 HydrophobicContact CG2-CE1 3.68Å; T251-F255 HydrophobicContact CG2-CG 4.33Å; S252-F255 PolarHBondContact O-N 3.06Å; S252-F255 WeakPolarHBondContact OG-CB 3.41Å; S252-F255 PolarHBondContact OG-N 2.94Å; S252-F255 VanDerWaalsContact OG-N 3.12Å; P253-F255 PolarHBondContact O-N 3.18Å; F255-S258 PolarHBondContact O-N 3.14Å; F255-L259 HydrophobicContact CE1-CD2 3.9Å; F255-L259 HydrophobicContact CZ-CD2 4.32Å; F255-L259 VanDerWaalsContact O-CB 3.24Å; F255-L259 WeakPolarHBondContact O-CB 3.29Å; F255-L259 PolarHBondContact O-N 3.14Å; F255-L277 HydrophobicContact CZ-CD2 3.98Å
256	D	98.8	Very high	97.8	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-64.2	-44.8	-179.3	-81.9	23.4	0	0	0	110.8	F190 F204 T251 S252 S258 L259 F260	F190-D256 HydrophobicContact CE1-CB 4.03Å; F190-D256 HydrophobicContact CZ-CB 4.19Å; F204-D256 HydrophobicContact CD2-CB 4.22Å; F204-D256 VanDerWaalsContact CD2-OD2 3.3Å; F204-D256 WeakPolarHBondContact CD2-OD2 3.27Å; F204-D256 HydrophobicContact CE2-CB 4.13Å; T251-D256 WeakPolarHBondContact CB-OD1 3.47Å; T251-D256 WeakPolarHBondContact CG2-OD1 3.43Å; T251-D256 VanDerWaalsContact OG1-CG 3.27Å; T251-D256 PolarHBondContact OG1-OD1 3.31Å; T251-D256 PolarHBondContact OG1-OD2 2.71Å; S252-D256 PolarHBondContact O-N 2.82Å; D256-S258 VanDerWaalsContact C-N 3.32Å; D256-S258 PolarHBondContact O-N 3.34Å; D256-L259 PolarHBondContact O-N 2.77Å; D256-F260 HydrophobicContact CB-CD2 4.34Å; D256-F260 HydrophobicContact CB-CE2 3.87Å; D256-F260 HydrophobicContact CB-CZ 4.19Å; D256-F260 VanDerWaalsContact O-CB 3.26Å; D256-F260 WeakPolarHBondContact O-CB 3.47Å; D256-F260 VanDerWaalsContact O-CD2 3.24Å; D256-F260 WeakPolarHBondContact O-CD2 3.49Å; D256-F260 WeakPolarHBondContact O-CG 3.49Å; D256-F260 PolarHBondContact O-N 3.17Å
257	F	98.9	Very high	97.5	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-58	-43.9	176.8	-176.9	-97.6	0	0	0	111.9	F132 L133 M136 F142 L166 W170 F190 P253 T261	F132-F257 HydrophobicContact CE1-CD2 4.03Å; F132-F257 AromaticContact CE1-CE2 3.88Å; F132-F257 HydrophobicContact CE1-CE2 3.88Å; F132-F257 HydrophobicContact CE1-CZ 4.37Å; F132-F257 HydrophobicContact CZ-CD2 4.17Å; F132-F257 HydrophobicContact CZ-CE2 4.48Å; L133-F257 HydrophobicContact CD2-CE1 4.48Å; L133-F257 HydrophobicContact CD2-CE2 4.41Å; L133-F257 HydrophobicContact CD2-CZ 3.7Å; M136-F257 HydrophobicContact CB-CD1 3.8Å; M136-F257 HydrophobicContact CB-CE1 3.92Å; M136-F257 HydrophobicContact CG-CD1 3.84Å; M136-F257 HydrophobicContact CG-CE1 4.15Å; M136-F257 HydrophobicContact CG-CG 4.13Å; F142-F257 HydrophobicContact CD2-CD1 4.04Å; F142-F257 HydrophobicContact CD2-CE1 4.06Å; F142-F257 HydrophobicContact CE2-CD1 4.23Å; F142-F257 AromaticContact CE2-CE1 3.82Å; F142-F257 HydrophobicContact CE2-CE1 3.82Å; L166-F257 HydrophobicContact CD1-CE1 4.17Å; L166-F257 HydrophobicContact CD1-CZ 4.32Å; L166-F257 HydrophobicContact CD2-CE1 4.04Å; L166-F257 HydrophobicContact CD2-CZ 3.98Å; W170-F257 AromaticContact CD1-CE2 3.4Å; W170-F257 VanDerWaalsContact CD1-CE2 3.4Å; W170-F257 AromaticContact CD1-CZ 3.54Å; W170-F257 HydrophobicContact CD2-CD2 4.33Å; W170-F257 AromaticContact CD2-CE2 3.84Å; W170-F257 HydrophobicContact CD2-CE2 3.84Å; W170-F257 AromaticContact CE2-CD2 3.93Å; W170-F257 AromaticContact CE2-CE2 3.65Å; W170-F257 AromaticContact CG-CE2 3.71Å; W170-F257 HydrophobicContact CG-CE2 3.71Å; W170-F257 HydrophobicContact CG-CZ 4.25Å; W170-F257 HydrophobicContact CZ2-CD2 4.21Å; W170-F257 HydrophobicContact CZ2-CE2 4.38Å; W170-F257 AromaticContact NE1-CD2 4Å; W170-F257 AromaticContact NE1-CE2 3.36Å; W170-F257 AromaticContact NE1-CZ 3.58Å; F190-F257 HydrophobicContact CE2-CD2 4.15Å; F190-F257 HydrophobicContact CZ-CB 4.07Å; F190-F257 HydrophobicContact CZ-CD2 4.45Å; P253-F257 WeakPolarHBondContact O-CB 3.39Å; P253-F257 PolarHBondContact O-N 3.37Å; F257-T261 VanDerWaalsContact O-CB 3.25Å; F257-T261 WeakPolarHBondContact O-CB 3.45Å; F257-T261 PolarHBondContact O-N 3.4Å; F257-T261 PolarHBondContact O-OG1 3.28Å
258	S	98.9	Very high	97.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-70.6	-43.4	179.3	-57.2	0	0	0	0	112.4	M53 F142 E254 F255 D256 T261 L262	M53-S258 VanDerWaalsContact CE-CB 3.45Å; F142-S258 WeakPolarHBondContact CA-OG 3.41Å; F142-S258 VanDerWaalsContact CB-OG 3.31Å; F142-S258 WeakPolarHBondContact CB-OG 3.24Å; F142-S258 PolarHBondContact N-OG 3.17Å; F142-S258 VanDerWaalsContact N-OG 3.11Å; E254-S258 WeakPolarHBondContact O-CB 3.37Å; E254-S258 PolarHBondContact O-N 2.68Å; E254-S258 PolarHBondContact O-OG 3.27Å; F255-S258 PolarHBondContact O-N 3.14Å; D256-S258 VanDerWaalsContact C-N 3.32Å; D256-S258 PolarHBondContact O-N 3.34Å; S258-T261 PolarHBondContact O-N 3.32Å; S258-L262 VanDerWaalsContact O-CB 3.3Å; S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 PolarHBondContact O-N 3.48Å
259	L	98.7	Very high	96.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.4	-47.7	178.9	170.9	63.7	0	0	0	110.6	V50 M53 L248 F255 D256 L262 C263 F275 V284	V50-L259 HydrophobicContact CG1-CD1 4.08Å; V50-L259 HydrophobicContact CG2-CD1 3.6Å; M53-L259 HydrophobicContact CE-CB 4.25Å; L248-L259 HydrophobicContact CD1-CD2 3.89Å; F255-L259 HydrophobicContact CE1-CD2 3.9Å; F255-L259 HydrophobicContact CZ-CD2 4.32Å; F255-L259 VanDerWaalsContact O-CB 3.24Å; F255-L259 WeakPolarHBondContact O-CB 3.29Å; F255-L259 PolarHBondContact O-N 3.14Å; D256-L259 PolarHBondContact O-N 2.77Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-C263 WeakPolarHBondContact O-CB 3.19Å; L259-C263 PolarHBondContact O-N 3.18Å; L259-C263 PolarHBondContact O-SG 2.65Å; L259-C263 VanDerWaalsContact O-SG 3.37Å; L259-F275 HydrophobicContact CD1-CD1 4.36Å; L259-F275 HydrophobicContact CD1-CE1 3.98Å; L259-F275 HydrophobicContact CD1-CZ 4.12Å; L259-F275 HydrophobicContact CD2-CE1 4.28Å; L259-F275 HydrophobicContact CD2-CE2 4.24Å; L259-F275 HydrophobicContact CD2-CZ 3.7Å; L259-V284 HydrophobicContact CD1-CG2 4.4Å; L259-V284 HydrophobicContact CD2-CG2 4.02Å; L259-V284 HydrophobicContact CG-CG2 4.04Å
260	F	98.7	Very high	95.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69	-38.2	-179.2	-64.5	-17.5	0	0	0	112	W170 V189 F190 D256 C263 F264 V284 T298 P300	W170-F260 HydrophobicContact CH2-CB 3.67Å; W170-F260 HydrophobicContact CH2-CD2 4.21Å; W170-F260 HydrophobicContact CH2-CG 4.46Å; W170-F260 HydrophobicContact CZ2-CB 3.82Å; V189-F260 HydrophobicContact CG1-CD2 3.76Å; V189-F260 HydrophobicContact CG1-CE2 3.83Å; F190-F260 HydrophobicContact CE2-CD2 4.41Å; F190-F260 HydrophobicContact CZ-CD2 4.04Å; F190-F260 HydrophobicContact CZ-CE2 4.32Å; D256-F260 HydrophobicContact CB-CD2 4.34Å; D256-F260 HydrophobicContact CB-CE2 3.87Å; D256-F260 HydrophobicContact CB-CZ 4.19Å; D256-F260 VanDerWaalsContact O-CB 3.26Å; D256-F260 WeakPolarHBondContact O-CB 3.47Å; D256-F260 VanDerWaalsContact O-CD2 3.24Å; D256-F260 WeakPolarHBondContact O-CD2 3.49Å; D256-F260 WeakPolarHBondContact O-CG 3.49Å; D256-F260 PolarHBondContact O-N 3.17Å; F260-C263 PolarHBondContact O-N 3.34Å; F260-F264 VanDerWaalsContact O-CB 3.25Å; F260-F264 WeakPolarHBondContact O-CB 3.33Å; F260-F264 PolarHBondContact O-N 3.49Å; F260-V284 HydrophobicContact CD1-CG1 4.02Å; F260-V284 HydrophobicContact CD1-CG2 3.86Å; F260-V284 HydrophobicContact CE1-CG2 3.84Å; F260-T298 HydrophobicContact CB-CG2 3.61Å; F260-T298 HydrophobicContact CD2-CG2 4.19Å; F260-T298 HydrophobicContact CG-CG2 3.93Å; F260-P300 HydrophobicContact CZ-CG 4.4Å
261	T	98.5	Very high	94.5	Very high	2 Å²	2	15 Å²	15	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-51.2	172.3	-62.2	0	0	0	0	111.2	M162 L166 I169 W170 F257 S258 C263 F264 L265	M162-T261 HydrophobicContact CE-CG2 4.37Å; L166-T261 HydrophobicContact CD2-CG2 3.8Å; I169-T261 HydrophobicContact CD1-CG2 4.17Å; W170-T261 PolarHBondContact NE1-OG1 3.46Å; F257-T261 VanDerWaalsContact O-CB 3.25Å; F257-T261 WeakPolarHBondContact O-CB 3.45Å; F257-T261 PolarHBondContact O-N 3.4Å; F257-T261 PolarHBondContact O-OG1 3.28Å; S258-T261 PolarHBondContact O-N 3.32Å; T261-C263 VanDerWaalsContact C-N 3.29Å; T261-C263 PolarHBondContact O-N 3.47Å; T261-F264 PolarHBondContact O-N 2.95Å; T261-L265 HydrophobicContact CG2-CD1 3.86Å; T261-L265 WeakPolarHBondContact O-CB 3.35Å; T261-L265 WeakPolarHBondContact O-CG 3.14Å; T261-L265 PolarHBondContact O-N 3.42Å
262	L	97.7	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.2	-48.6	177	178	155.2	0	0	0	110.6	I46 T49 M53 A145 F148 I149 S258 L259 L265 T266	I46-L262 HydrophobicContact CG1-CD2 4.33Å; I46-L262 HydrophobicContact CG2-CD2 3.95Å; T49-L262 HydrophobicContact CG2-CD1 3.7Å; M53-L262 HydrophobicContact SD-CD1 4.16Å; A145-L262 HydrophobicContact CB-CB 4.26Å; A145-L262 HydrophobicContact CB-CD1 4.14Å; F148-L262 HydrophobicContact CD1-CD1 3.93Å; F148-L262 HydrophobicContact CD1-CG 4.29Å; F148-L262 HydrophobicContact CG-CD1 4.49Å; I149-L262 HydrophobicContact CG2-CG 4.26Å; S258-L262 VanDerWaalsContact O-CB 3.3Å; S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 PolarHBondContact O-N 3.48Å; L259-L262 PolarHBondContact O-N 3.24Å; L262-L265 PolarHBondContact O-N 3.16Å; L262-T266 VanDerWaalsContact O-CB 3.31Å; L262-T266 WeakPolarHBondContact O-CB 3.31Å; L262-T266 WeakPolarHBondContact O-CG2 3.4Å; L262-T266 PolarHBondContact O-N 2.86Å; L262-T266 PolarHBondContact O-OG1 3.43Å
263	C	96.7	Very high	93.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70.8	-38.7	-177.1	-73.6	0	0	0	0	113	L259 F260 T261 L265 T266 K267 C273 V284	L259-C263 WeakPolarHBondContact O-CB 3.19Å; L259-C263 PolarHBondContact O-N 3.18Å; L259-C263 PolarHBondContact O-SG 2.65Å; L259-C263 VanDerWaalsContact O-SG 3.37Å; F260-C263 PolarHBondContact O-N 3.34Å; T261-C263 VanDerWaalsContact C-N 3.29Å; T261-C263 PolarHBondContact O-N 3.47Å; C263-L265 VanDerWaalsContact C-N 3.31Å; C263-L265 PolarHBondContact O-N 2.9Å; C263-T266 PolarHBondContact O-N 3.18Å; C263-K267 CarbonylContact O-C 3.57Å; C263-K267 VanDerWaalsContact O-C 3.27Å; C263-K267 WeakPolarHBondContact O-CA 3.36Å; C263-K267 PolarHBondContact O-N 3.43Å; C263-C273 WeakPolarHBondContact CA-SG 3.36Å; C263-C273 HydrophobicContact CB-CB 3.8Å; C263-C273 WeakPolarHBondContact CB-SG 3.47Å; C263-C273 WeakPolarHBondContact SG-CB 3.47Å; C263-C273 CovalentContact SG-SG 2.03Å; C263-C273 PolarHBondContact SG-SG 2.85Å; C263-V284 HydrophobicContact CB-CB 3.92Å; C263-V284 HydrophobicContact CB-CG1 3.56Å
264	F	96	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-39.9	172.7	-178.9	-106	0	0	0	112.2	I169 F260 T261 T266 R268 K288 P293 I295	I169-F264 HydrophobicContact CB-CD1 4.39Å; I169-F264 HydrophobicContact CB-CE1 3.97Å; I169-F264 HydrophobicContact CD1-CD1 4.2Å; I169-F264 HydrophobicContact CG2-CD1 4.49Å; I169-F264 HydrophobicContact CG2-CE1 3.91Å; F260-F264 VanDerWaalsContact O-CB 3.25Å; F260-F264 WeakPolarHBondContact O-CB 3.33Å; F260-F264 PolarHBondContact O-N 3.49Å; T261-F264 PolarHBondContact O-N 2.95Å; F264-T266 VanDerWaalsContact C-N 3.35Å; F264-R268 HydrophobicContact CD2-CG 4.28Å; F264-R268 VanDerWaalsContact O-CG 3.26Å; F264-R268 WeakPolarHBondContact O-CG 3.37Å; F264-R268 PolarHBondContact O-NE 3.47Å; F264-R268 PolarHBondContact O-NH2 2.83Å; F264-K288 HydrophobicContact CE2-CB 3.97Å; F264-K288 HydrophobicContact CZ-CB 4.12Å; F264-P293 VanDerWaalsContact CE1-O 3.32Å; F264-P293 WeakPolarHBondContact CE1-O 3.2Å; F264-P293 VanDerWaalsContact CZ-O 3.31Å; F264-P293 WeakPolarHBondContact CZ-O 3.47Å; F264-I295 HydrophobicContact CB-CD1 4.34Å; F264-I295 HydrophobicContact CB-CG1 4.34Å; F264-I295 HydrophobicContact CD1-CD1 4.12Å; F264-I295 HydrophobicContact CD1-CG1 3.71Å; F264-I295 HydrophobicContact CD2-CD1 4.44Å; F264-I295 HydrophobicContact CD2-CG1 3.56Å; F264-I295 HydrophobicContact CE1-CG1 3.75Å; F264-I295 HydrophobicContact CE2-CB 4.31Å; F264-I295 HydrophobicContact CE2-CG1 3.61Å; F264-I295 HydrophobicContact CG-CD1 4.05Å; F264-I295 HydrophobicContact CG-CG1 3.6Å; F264-I295 HydrophobicContact CZ-CG1 3.7Å
265	L	94.8	Very high	93.5	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	13%	0.129	C	C	.	.	H	α-helix	trans	-84.3	-5.5	-178.4	-64.8	176.9	0	0	0	114	F38 I149 L165 T261 L262 C263	F38-L265 WeakPolarHBondContact CE1-O 3.23Å; I149-L265 HydrophobicContact CD1-CD1 3.74Å; L165-L265 HydrophobicContact CD2-CD1 4.14Å; L165-L265 HydrophobicContact CD2-CD2 4.46Å; T261-L265 HydrophobicContact CG2-CD1 3.86Å; T261-L265 WeakPolarHBondContact O-CB 3.35Å; T261-L265 WeakPolarHBondContact O-CG 3.14Å; T261-L265 PolarHBondContact O-N 3.42Å; L262-L265 PolarHBondContact O-N 3.16Å; C263-L265 VanDerWaalsContact C-N 3.31Å; C263-L265 PolarHBondContact O-N 2.9Å
266	T	93.8	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-124.4	-33.6	-177.3	60.4	0	0	0	0	114.5	F38 I41 F148 I149 L154 L262 C263 F264	F38-T266 VanDerWaalsContact CD1-C 3.46Å; F38-T266 WeakPolarHBondContact CD1-O 3.45Å; I41-T266 HydrophobicContact CD1-CG2 3.68Å; F148-T266 HydrophobicContact CE1-CG2 4.24Å; I149-T266 HydrophobicContact CG2-CG2 3.73Å; L154-T266 HydrophobicContact CD1-CG2 3.86Å; L262-T266 VanDerWaalsContact O-CB 3.31Å; L262-T266 WeakPolarHBondContact O-CB 3.31Å; L262-T266 WeakPolarHBondContact O-CG2 3.4Å; L262-T266 PolarHBondContact O-N 2.86Å; L262-T266 PolarHBondContact O-OG1 3.43Å; C263-T266 PolarHBondContact O-N 3.18Å; F264-T266 VanDerWaalsContact C-N 3.35Å
267	K	90.9	Very high	93.2	Very high	22 Å²	22	29.6 Å²	29.6	10%	0.096	15%	0.149	C	C	.	.			trans	-150.3	102.6	-174.1	-70.9	-161.1	178.6	-161.4	0	112.3	I41 D43 I46 C263 K271	I41-K267 WeakPolarHBondContact O-CE 3.26Å; I41-K267 PolarHBondContact O-NZ 2.85Å; D43-K267 IonicContact OD1-NZ 2.62Å; D43-K267 PolarHBondContact OD1-NZ 2.82Å; I46-K267 HydrophobicContact CD1-CD 3.63Å; I46-K267 HydrophobicContact CD1-CG 3.96Å; C263-K267 CarbonylContact O-C 3.57Å; C263-K267 VanDerWaalsContact O-C 3.27Å; C263-K267 WeakPolarHBondContact O-CA 3.36Å; C263-K267 PolarHBondContact O-N 3.43Å; K267-K271 WeakPolarHBondContact CB-O 2.99Å; K267-K271 VanDerWaalsContact CD-O 3.27Å; K267-K271 WeakPolarHBondContact CD-O 3.5Å
268	R	89.4	Confident	92.8	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	17%	0.173	C	C	.	.			trans	-105.9	160.9	176.2	-59.4	178.9	-173.6	142.1	-1.9	112.6	E33 F264 S286	E33-R268 IonicContact OE1-CZ 3.68Å; E33-R268 IonicContact OE1-NH1 2.72Å; E33-R268 PolarHBondContact OE1-NH1 2.92Å; F264-R268 HydrophobicContact CD2-CG 4.28Å; F264-R268 VanDerWaalsContact O-CG 3.26Å; F264-R268 WeakPolarHBondContact O-CG 3.37Å; F264-R268 PolarHBondContact O-NE 3.47Å; F264-R268 PolarHBondContact O-NH2 2.83Å; R268-S286 CarbonylContact C-O 3.52Å; R268-S286 WeakPolarHBondContact CA-O 3.39Å
269	G	83.5	Confident	92.3	Very high	17 Å²	17	43.9 Å²	43.9	18%	0.175	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	65.9	-136	173.7	0	0	0	0	0	113.7	K271 S286	G269-K271 PolarHBondContact O-N 3.33Å; G269-S286 PolarHBondContact N-O 3.03Å
270	S	77.4	Confident	92.1	Very high	121 Å²	121	48.2 Å²	48.2	85%	0.846	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-64.1	-19.6	-178.5	58.3	0	0	0	0	113.8	R272	S270-R272 PolarHBondContact O-N 3.3Å; S270-R272 VanDerWaalsContact O-N 3.15Å
271	K	79.4	Confident	92	Very high	101 Å²	101	51 Å²	51	44%	0.439	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-82.2	23.8	-178.3	-63.8	-175.9	-179.4	171.7	0	113.8	K267 G269 C273	K267-K271 WeakPolarHBondContact CB-O 2.99Å; K267-K271 VanDerWaalsContact CD-O 3.27Å; K267-K271 WeakPolarHBondContact CD-O 3.5Å; G269-K271 PolarHBondContact O-N 3.33Å; K271-C273 PolarHBondContact O-N 3.39Å
272	R	87.9	Confident	91.9	Very high	102 Å²	102	50.9 Å²	50.9	39%	0.385	25%	0.25	S	C	.	.			trans	-21.3	130.6	-178.4	-63.5	176.8	168.6	158.5	-1.4	113.7	S270 R274 V284 T285	S270-R272 PolarHBondContact O-N 3.3Å; S270-R272 VanDerWaalsContact O-N 3.15Å; R272-R274 PolarHBondContact O-N 3.43Å; R272-V284 WeakPolarHBondContact CA-O 3.4Å; R272-T285 WeakPolarHBondContact CD-OG1 3.31Å; R272-T285 HydrophobicContact CG-CG2 4.34Å; R272-T285 PolarHBondContact NE-OG1 3.43Å
273	C	93.6	Very high	91.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	139.1	162.4	-96	0	0	0	0	109.9	I46 C263 K271 G283 V284	I46-C273 HydrophobicContact CG2-CB 4.48Å; C263-C273 WeakPolarHBondContact CA-SG 3.36Å; C263-C273 HydrophobicContact CB-CB 3.8Å; C263-C273 WeakPolarHBondContact CB-SG 3.47Å; C263-C273 WeakPolarHBondContact SG-CB 3.47Å; C263-C273 CovalentContact SG-SG 2.03Å; C263-C273 PolarHBondContact SG-SG 2.85Å; K271-C273 PolarHBondContact O-N 3.39Å; C273-G283 CarbonylContact O-C 3.56Å; C273-G283 WeakPolarHBondContact O-CA 3.33Å; C273-V284 HydrophobicContact CB-CB 4.06Å; C273-V284 PolarHBondContact N-O 3.32Å; C273-V284 VanDerWaalsContact N-O 3.11Å; C273-V284 PolarHBondContact O-N 2.92Å
274	R	95.2	Very high	91.8	Very high	141 Å²	141	50.9 Å²	50.9	53%	0.532	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.5	173.5	-63.8	-176.4	176.1	177.1	-4.3	109.8	D43 R272 F282 L303	D43-R274 HydrophobicContact CB-CB 4.37Å; D43-R274 WeakPolarHBondContact OD2-CD 3.16Å; R272-R274 PolarHBondContact O-N 3.43Å; R274-F282 WeakPolarHBondContact CA-O 2.97Å; R274-L303 HydrophobicContact CG-CD1 4.08Å
275	F	96.3	Very high	91.8	Very high	6 Å²	6	51 Å²	51	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-177.8	179.1	59.2	-82.3	0	0	0	109.5	A47 V50 L259 L277 F282 V284	A47-F275 HydrophobicContact CB-CB 4.31Å; V50-F275 HydrophobicContact CB-CB 4.13Å; V50-F275 HydrophobicContact CB-CD2 4.46Å; V50-F275 HydrophobicContact CB-CG 4.34Å; V50-F275 HydrophobicContact CG1-CB 4.15Å; V50-F275 HydrophobicContact CG1-CD2 3.57Å; V50-F275 HydrophobicContact CG1-CE2 4.11Å; V50-F275 HydrophobicContact CG1-CG 3.89Å; V50-F275 HydrophobicContact CG2-CB 4.38Å; V50-F275 HydrophobicContact CG2-CG 4.42Å; L259-F275 HydrophobicContact CD1-CD1 4.36Å; L259-F275 HydrophobicContact CD1-CE1 3.98Å; L259-F275 HydrophobicContact CD1-CZ 4.12Å; L259-F275 HydrophobicContact CD2-CE1 4.28Å; L259-F275 HydrophobicContact CD2-CE2 4.24Å; L259-F275 HydrophobicContact CD2-CZ 3.7Å; F275-L277 HydrophobicContact CD2-CD2 4.02Å; F275-L277 HydrophobicContact CD2-CG 4.08Å; F275-L277 HydrophobicContact CE2-CD1 4.14Å; F275-L277 HydrophobicContact CE2-CD2 3.88Å; F275-L277 HydrophobicContact CE2-CG 3.73Å; F275-F282 HydrophobicContact CD2-CB 4.12Å; F275-F282 HydrophobicContact CE1-CB 4.12Å; F275-F282 HydrophobicContact CE2-CB 3.63Å; F275-F282 HydrophobicContact CE2-CG 4.37Å; F275-F282 HydrophobicContact CZ-CB 3.61Å; F275-F282 PolarHBondContact N-O 3.49Å; F275-F282 PolarHBondContact O-N 3.26Å; F275-V284 HydrophobicContact CE1-CG2 3.85Å; F275-V284 HydrophobicContact CZ-CG2 4.21Å
276	S	95.7	Very high	91.9	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.1	170.6	-55.6	0	0	0	0	109.9	F280	S276-F280 WeakPolarHBondContact CA-O 3.31Å; S276-F280 WeakPolarHBondContact CB-O 3Å
277	L	94.7	Very high	91.9	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.5	164	-58.8	179.2	0	0	0	106.4	V50 R54 L248 F255 F275 K279 F280 F282	V50-L277 HydrophobicContact CG1-CD2 4.41Å; R54-L277 HydrophobicContact CB-CD2 4.42Å; R54-L277 HydrophobicContact CG-CD2 4.13Å; L248-L277 HydrophobicContact CD1-CD1 3.99Å; L248-L277 HydrophobicContact CD2-CD1 3.83Å; L248-L277 HydrophobicContact CG-CD1 4.5Å; F255-L277 HydrophobicContact CZ-CD2 3.98Å; F275-L277 HydrophobicContact CD2-CD2 4.02Å; F275-L277 HydrophobicContact CD2-CG 4.08Å; F275-L277 HydrophobicContact CE2-CD1 4.14Å; F275-L277 HydrophobicContact CE2-CD2 3.88Å; F275-L277 HydrophobicContact CE2-CG 3.73Å; L277-K279 PolarHBondContact O-N 3.49Å; L277-F280 PolarHBondContact N-O 2.89Å; L277-F280 VanDerWaalsContact N-O 3.1Å; L277-F280 PolarHBondContact O-N 3.49Å; L277-F282 HydrophobicContact CB-CD2 3.94Å; L277-F282 HydrophobicContact CB-CE2 3.89Å; L277-F282 HydrophobicContact CD1-CD2 4.14Å; L277-F282 HydrophobicContact CD1-CE2 4.2Å; L277-F282 HydrophobicContact CG-CD2 3.92Å; L277-F282 HydrophobicContact CG-CE2 4.23Å
278	E	89.9	Confident	92.1	Very high	107 Å²	107	58.3 Å²	58.3	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	-96.9	-173.5	-65.6	70	-153.6	0	0	110.8	R54 L229	R54-E278 IonicContact CZ-OE1 3.47Å; R54-E278 IonicContact NE-OE1 2.67Å; R54-E278 PolarHBondContact NE-OE1 3.27Å; R54-E278 IonicContact NH2-OE1 3.99Å; L229-E278 WeakPolarHBondContact CD2-OE2 3.42Å
279	K	89.2	Confident	92.2	Very high	193 Å²	193	58.5 Å²	58.5	84%	0.839	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	2.2	175.8	-64.1	-177.6	-179.5	179.1	0	113.6	L277	L277-K279 PolarHBondContact O-N 3.49Å
280	F	95	Very high	92	Very high	91 Å²	91	62.8 Å²	62.8	40%	0.399	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.6	-173.8	-67.4	-82.1	0	0	0	110.5	L229 S276 L277 F282	L229-F280 HydrophobicContact CD1-CB 4.33Å; L229-F280 HydrophobicContact CD1-CD2 3.32Å; L229-F280 HydrophobicContact CD1-CE2 3.91Å; L229-F280 HydrophobicContact CD1-CG 4.1Å; S276-F280 WeakPolarHBondContact CA-O 3.31Å; S276-F280 WeakPolarHBondContact CB-O 3Å; L277-F280 PolarHBondContact N-O 2.89Å; L277-F280 VanDerWaalsContact N-O 3.1Å; L277-F280 PolarHBondContact O-N 3.49Å; F280-F282 HydrophobicContact CB-CD2 4.35Å; F280-F282 HydrophobicContact CB-CE2 3.67Å; F280-F282 HydrophobicContact CB-CZ 4.29Å; F280-F282 VanDerWaalsContact O-CD2 3.24Å; F280-F282 WeakPolarHBondContact O-CD2 3.44Å
281	P	95.9	Very high	92.1	Very high	59 Å²	59	68.5 Å²	68.5	38%	0.383	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.8	178.3	32.7	-35	0	0	0	110.3	L303	P281-L303 HydrophobicContact CB-CB 4.11Å; P281-L303 HydrophobicContact CG-CB 4.27Å; P281-L303 PolarHBondContact O-N 3Å; P281-L303 VanDerWaalsContact O-N 3.11Å
282	F	96.7	Very high	92.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.7	176	-72.6	-81.3	0	0	0	109.7	R226 L229 S230 L248 R274 F275 L277 F280 V301 S302 L303	R226-F282 HydrophobicContact CG-CZ 4.3Å; L229-F282 HydrophobicContact CB-CZ 4.17Å; S230-F282 WeakPolarHBondContact OG-CE1 3.42Å; L248-F282 HydrophobicContact CD2-CD1 4.17Å; L248-F282 HydrophobicContact CD2-CE1 4.14Å; R274-F282 WeakPolarHBondContact CA-O 2.97Å; F275-F282 HydrophobicContact CD2-CB 4.12Å; F275-F282 HydrophobicContact CE1-CB 4.12Å; F275-F282 HydrophobicContact CE2-CB 3.63Å; F275-F282 HydrophobicContact CE2-CG 4.37Å; F275-F282 HydrophobicContact CZ-CB 3.61Å; F275-F282 PolarHBondContact N-O 3.49Å; F275-F282 PolarHBondContact O-N 3.26Å; L277-F282 HydrophobicContact CB-CD2 3.94Å; L277-F282 HydrophobicContact CB-CE2 3.89Å; L277-F282 HydrophobicContact CD1-CD2 4.14Å; L277-F282 HydrophobicContact CD1-CE2 4.2Å; L277-F282 HydrophobicContact CG-CD2 3.92Å; L277-F282 HydrophobicContact CG-CE2 4.23Å; F280-F282 HydrophobicContact CB-CD2 4.35Å; F280-F282 HydrophobicContact CB-CE2 3.67Å; F280-F282 HydrophobicContact CB-CZ 4.29Å; F280-F282 VanDerWaalsContact O-CD2 3.24Å; F280-F282 WeakPolarHBondContact O-CD2 3.44Å; F282-V301 CarbonylContact C-O 3.55Å; F282-V301 WeakPolarHBondContact CA-O 3.42Å; F282-S302 WeakPolarHBondContact CE1-OG 3.21Å; F282-L303 VanDerWaalsContact C-CD1 3.49Å; F282-L303 WeakPolarHBondContact O-CD1 3.12Å
283	G	95.6	Very high	92.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	168.4	162.9	0	0	0	0	0	112.5	C273 P300 V301	C273-G283 CarbonylContact O-C 3.56Å; C273-G283 WeakPolarHBondContact O-CA 3.33Å; G283-P300 CarbonylContact O-C 3.27Å; G283-P300 WeakPolarHBondContact O-CA 3.33Å; G283-V301 PolarHBondContact N-O 3.23Å; G283-V301 WeakPolarHBondContact O-CG2 3.47Å; G283-V301 PolarHBondContact O-N 3.47Å
284	V	97.5	Very high	92.6	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	167.5	164.8	0	0	0	0	108.1	L259 F260 C263 R272 C273 F275 T298 Y299	L259-V284 HydrophobicContact CD1-CG2 4.4Å; L259-V284 HydrophobicContact CD2-CG2 4.02Å; L259-V284 HydrophobicContact CG-CG2 4.04Å; F260-V284 HydrophobicContact CD1-CG1 4.02Å; F260-V284 HydrophobicContact CD1-CG2 3.86Å; F260-V284 HydrophobicContact CE1-CG2 3.84Å; C263-V284 HydrophobicContact CB-CB 3.92Å; C263-V284 HydrophobicContact CB-CG1 3.56Å; R272-V284 WeakPolarHBondContact CA-O 3.4Å; C273-V284 HydrophobicContact CB-CB 4.06Å; C273-V284 PolarHBondContact N-O 3.32Å; C273-V284 VanDerWaalsContact N-O 3.11Å; C273-V284 PolarHBondContact O-N 2.92Å; F275-V284 HydrophobicContact CE1-CG2 3.85Å; F275-V284 HydrophobicContact CZ-CG2 4.21Å; V284-T298 VanDerWaalsContact CG1-OG1 3.24Å; V284-T298 WeakPolarHBondContact CG1-OG1 3.39Å; V284-Y299 WeakPolarHBondContact CA-O 3.35Å
285	T	96.1	Very high	92.7	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.4	172.3	-51.4	0	0	0	0	107.8	R272 F287 T298 Y299	R272-T285 WeakPolarHBondContact CD-OG1 3.31Å; R272-T285 HydrophobicContact CG-CG2 4.34Å; R272-T285 PolarHBondContact NE-OG1 3.43Å; T285-F287 HydrophobicContact CG2-CD2 4.09Å; T285-F287 HydrophobicContact CG2-CE2 3.37Å; T285-F287 HydrophobicContact CG2-CZ 3.86Å; T285-T298 VanDerWaalsContact O-CA 3.23Å; T285-T298 WeakPolarHBondContact O-CA 3.22Å; T285-Y299 HydrophobicContact CG2-CE1 4.4Å; T285-Y299 PolarHBondContact N-O 3.45Å; T285-Y299 PolarHBondContact O-N 3.45Å
286	S	96.1	Very high	92.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.6	179.1	-56.4	0	0	0	0	111	R268 G269 T297 T298	R268-S286 CarbonylContact C-O 3.52Å; R268-S286 WeakPolarHBondContact CA-O 3.39Å; G269-S286 PolarHBondContact N-O 3.03Å; S286-T297 CarbonylContact C-O 3.57Å; S286-T297 WeakPolarHBondContact CA-O 3.4Å; S286-T298 WeakPolarHBondContact OG-CB 3.45Å; S286-T298 PolarHBondContact OG-OG1 3.32Å
287	F	94.8	Very high	92.8	Very high	95 Å²	95	57.6 Å²	57.6	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.9	175.1	-64.7	-81.7	0	0	0	110.1	T285 A296 T297	T285-F287 HydrophobicContact CG2-CD2 4.09Å; T285-F287 HydrophobicContact CG2-CE2 3.37Å; T285-F287 HydrophobicContact CG2-CZ 3.86Å; F287-A296 HydrophobicContact CB-CB 4.15Å; F287-A296 VanDerWaalsContact O-CB 3.3Å; F287-A296 WeakPolarHBondContact O-CB 3.35Å; F287-A296 PolarHBondContact O-N 3.28Å; F287-T297 HydrophobicContact CB-CG2 4.17Å; F287-T297 HydrophobicContact CD2-CG2 3.7Å; F287-T297 HydrophobicContact CG-CG2 4.43Å; F287-T297 PolarHBondContact N-O 3.31Å; F287-T297 PolarHBondContact O-N 3.32Å
288	K	93.7	Very high	92.9	Very high	90 Å²	90	57.4 Å²	57.4	39%	0.391	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	154.3	171.3	72.7	174.3	-176.8	-178	0	110.7	E33 F264 Y294	E33-K288 IonicContact OE1-NZ 2.66Å; E33-K288 PolarHBondContact OE1-NZ 3.07Å; E33-K288 IonicContact OE2-NZ 3.75Å; E33-K288 PolarHBondContact OE2-NZ 3.01Å; F264-K288 HydrophobicContact CE2-CB 3.97Å; F264-K288 HydrophobicContact CZ-CB 4.12Å; K288-Y294 VanDerWaalsContact CA-O 3.23Å; K288-Y294 WeakPolarHBondContact CA-O 3.27Å
289	I	91.7	Very high	93.3	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.205	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.1	173.2	-160.1	172.8	0	0	0	109.9	Y174 Y294 A296	Y174-I289 HydrophobicContact CD1-CG2 3.6Å; Y174-I289 HydrophobicContact CD2-CD1 3.73Å; Y174-I289 HydrophobicContact CD2-CG2 3.83Å; Y174-I289 HydrophobicContact CE1-CG2 3.67Å; Y174-I289 HydrophobicContact CE2-CD1 3.83Å; Y174-I289 HydrophobicContact CE2-CG2 3.9Å; Y174-I289 HydrophobicContact CG-CD1 4.49Å; Y174-I289 HydrophobicContact CG-CG2 3.67Å; I289-Y294 PolarHBondContact N-O 3.03Å; I289-A296 HydrophobicContact CB-CB 3.74Å; I289-A296 HydrophobicContact CG2-CB 4.34Å
290	Q	80.6	Confident	93.7	Very high	107 Å²	107	46.3 Å²	46.3	50%	0.5	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-167.4	-179.3	-49.5	-174.4	-11.1	0	0	114
291	R	77.7	Confident	93.7	Very high	242 Å²	242	43 Å²	43	91%	0.913	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.6	176.3	-72.5	-172.4	175.8	165.7	-0.7	113.3
292	R	85.7	Confident	93.6	Very high	98 Å²	98	41.6 Å²	41.6	37%	0.37	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	156.7	176.7	-72.3	-172.7	175.3	-120.3	-2.7	110.2	Y294	R292-Y294 HydrophobicContact CB-CD1 3.92Å; R292-Y294 HydrophobicContact CB-CD2 3.89Å; R292-Y294 HydrophobicContact CB-CE1 3.69Å; R292-Y294 HydrophobicContact CB-CE2 3.68Å; R292-Y294 HydrophobicContact CB-CG 4.03Å; R292-Y294 WeakPolarHBondContact CD-OH 3.25Å; R292-Y294 HydrophobicContact CG-CE1 4.46Å; R292-Y294 HydrophobicContact CG-CE2 4.31Å; R292-Y294 PolarHBondContact O-N 3.08Å
293	P	90.3	Very high	93.3	Very high	27 Å²	27	46.5 Å²	46.5	18%	0.175	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	40.2	-176.2	33.2	-37.2	0	0	0	112.7	T168 I169 F264	T168-P293 HydrophobicContact CG2-CG 3.93Å; I169-P293 WeakPolarHBondContact CA-O 3.23Å; I169-P293 WeakPolarHBondContact CB-O 3.3Å; I169-P293 HydrophobicContact CG2-CB 4.25Å; I169-P293 HydrophobicContact CG2-CG 4.43Å; I169-P293 WeakPolarHBondContact CG2-O 3.24Å; F264-P293 VanDerWaalsContact CE1-O 3.32Å; F264-P293 WeakPolarHBondContact CE1-O 3.2Å; F264-P293 VanDerWaalsContact CZ-O 3.31Å; F264-P293 WeakPolarHBondContact CZ-O 3.47Å
294	Y	96.3	Very high	93.2	Very high	26 Å²	26	48.8 Å²	48.8	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.1	-179.4	-57.4	-25.2	0	0	0	110.5	T168 Y174 K288 I289 R292 A296	T168-Y294 HydrophobicContact CG2-CD1 4.16Å; T168-Y294 HydrophobicContact CG2-CE1 3.81Å; T168-Y294 WeakPolarHBondContact O-CD1 3.47Å; Y174-Y294 AromaticContact CD1-CD2 3.93Å; Y174-Y294 HydrophobicContact CD1-CD2 3.93Å; Y174-Y294 HydrophobicContact CD1-CG 4.19Å; Y174-Y294 HydrophobicContact CG-CD2 4.47Å; K288-Y294 VanDerWaalsContact CA-O 3.23Å; K288-Y294 WeakPolarHBondContact CA-O 3.27Å; I289-Y294 PolarHBondContact N-O 3.03Å; R292-Y294 HydrophobicContact CB-CD1 3.92Å; R292-Y294 HydrophobicContact CB-CD2 3.89Å; R292-Y294 HydrophobicContact CB-CE1 3.69Å; R292-Y294 HydrophobicContact CB-CE2 3.68Å; R292-Y294 HydrophobicContact CB-CG 4.03Å; R292-Y294 WeakPolarHBondContact CD-OH 3.25Å; R292-Y294 HydrophobicContact CG-CE1 4.46Å; R292-Y294 HydrophobicContact CG-CE2 4.31Å; R292-Y294 PolarHBondContact O-N 3.08Å; Y294-A296 PolarHBondContact O-N 3.46Å; Y294-A296 VanDerWaalsContact O-N 3.16Å
295	I	97.5	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	114.3	170.1	-70.1	167	0	0	0	107.7	I169 W170 Y174 G185 V189 F264 T298	I169-I295 HydrophobicContact CB-CD1 4.27Å; I169-I295 HydrophobicContact CB-CG1 4.3Å; I169-I295 HydrophobicContact CD1-CD1 4.29Å; I169-I295 HydrophobicContact CG1-CD1 4.06Å; I169-I295 WeakPolarHBondContact O-CB 3.48Å; I169-I295 WeakPolarHBondContact O-CG1 3.4Å; I169-I295 PolarHBondContact O-N 3.09Å; W170-I295 HydrophobicContact CD2-CD1 3.55Å; W170-I295 VanDerWaalsContact CE2-CD1 3.48Å; W170-I295 HydrophobicContact CE3-CD1 3.73Å; W170-I295 HydrophobicContact CG-CD1 4.18Å; W170-I295 HydrophobicContact CH2-CD1 3.84Å; W170-I295 HydrophobicContact CZ2-CD1 3.65Å; W170-I295 HydrophobicContact CZ3-CD1 3.87Å; Y174-I295 WeakPolarHBondContact CE1-O 3.44Å; Y174-I295 PolarHBondContact OH-O 2.61Å; G185-I295 WeakPolarHBondContact CA-O 3.25Å; V189-I295 HydrophobicContact CG2-CG2 4.43Å; F264-I295 HydrophobicContact CB-CD1 4.34Å; F264-I295 HydrophobicContact CB-CG1 4.34Å; F264-I295 HydrophobicContact CD1-CD1 4.12Å; F264-I295 HydrophobicContact CD1-CG1 3.71Å; F264-I295 HydrophobicContact CD2-CD1 4.44Å; F264-I295 HydrophobicContact CD2-CG1 3.56Å; F264-I295 HydrophobicContact CE1-CG1 3.75Å; F264-I295 HydrophobicContact CE2-CB 4.31Å; F264-I295 HydrophobicContact CE2-CG1 3.61Å; F264-I295 HydrophobicContact CG-CD1 4.05Å; F264-I295 HydrophobicContact CG-CG1 3.6Å; F264-I295 HydrophobicContact CZ-CG1 3.7Å; I295-T298 HydrophobicContact CG2-CG2 3.87Å
296	A	96.4	Very high	92.8	Very high	12 Å²	12	54.1 Å²	54.1	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-51	164.6	0	0	0	0	0	108.7	Y174 R176 H188 F287 I289 Y294	Y174-A296 PolarHBondContact OH-O 3.5Å; R176-A296 PolarHBondContact NH2-O 3.4Å; H188-A296 PolarHBondContact CD2-O 2.78Å; F287-A296 HydrophobicContact CB-CB 4.15Å; F287-A296 VanDerWaalsContact O-CB 3.3Å; F287-A296 WeakPolarHBondContact O-CB 3.35Å; F287-A296 PolarHBondContact O-N 3.28Å; I289-A296 HydrophobicContact CB-CB 3.74Å; I289-A296 HydrophobicContact CG2-CB 4.34Å; Y294-A296 PolarHBondContact O-N 3.46Å; Y294-A296 VanDerWaalsContact O-N 3.16Å
297	T	97.1	Very high	92.6	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.104	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	154.4	177.9	-171.2	0	0	0	0	109.4	H188 S286 F287 Y299	H188-T297 PolarHBondContact CD2-OG1 2.94Å; H188-T297 WeakPolarHBondContact NE2-CB 3.25Å; H188-T297 PolarHBondContact NE2-OG1 3.34Å; S286-T297 CarbonylContact C-O 3.57Å; S286-T297 WeakPolarHBondContact CA-O 3.4Å; F287-T297 HydrophobicContact CB-CG2 4.17Å; F287-T297 HydrophobicContact CD2-CG2 3.7Å; F287-T297 HydrophobicContact CG-CG2 4.43Å; F287-T297 PolarHBondContact N-O 3.31Å; F287-T297 PolarHBondContact O-N 3.32Å; T297-Y299 HydrophobicContact CG2-CD1 4.15Å; T297-Y299 HydrophobicContact CG2-CE1 3.97Å
298	T	97.9	Very high	92.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	130.7	167.2	179.4	0	0	0	0	108.8	W170 V189 F260 V284 T285 S286 I295	W170-T298 HydrophobicContact CH2-CG2 3.57Å; W170-T298 HydrophobicContact CZ2-CG2 4.45Å; W170-T298 HydrophobicContact CZ3-CG2 4.06Å; V189-T298 HydrophobicContact CG1-CG2 4.35Å; V189-T298 HydrophobicContact CG2-CG2 3.74Å; V189-T298 WeakPolarHBondContact CG2-O 3.2Å; F260-T298 HydrophobicContact CB-CG2 3.61Å; F260-T298 HydrophobicContact CD2-CG2 4.19Å; F260-T298 HydrophobicContact CG-CG2 3.93Å; V284-T298 VanDerWaalsContact CG1-OG1 3.24Å; V284-T298 WeakPolarHBondContact CG1-OG1 3.39Å; T285-T298 VanDerWaalsContact O-CA 3.23Å; T285-T298 WeakPolarHBondContact O-CA 3.22Å; S286-T298 WeakPolarHBondContact OG-CB 3.45Å; S286-T298 PolarHBondContact OG-OG1 3.32Å; I295-T298 HydrophobicContact CG2-CG2 3.87Å
299	Y	97.5	Very high	92.4	Very high	60 Å²	60	52.6 Å²	52.6	24%	0.235	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	151.2	-173	59.9	-92.4	0	0	0	112.5	H203 V284 T285 T297 V301	H203-Y299 AromaticContact CE1-CG 3.98Å; H203-Y299 VanDerWaalsContact CG-CB 3.44Å; H203-Y299 WeakPolarHBondContact ND1-CB 3.47Å; H203-Y299 AromaticContact NE2-CD1 3.98Å; V284-Y299 WeakPolarHBondContact CA-O 3.35Å; T285-Y299 HydrophobicContact CG2-CE1 4.4Å; T285-Y299 PolarHBondContact N-O 3.45Å; T285-Y299 PolarHBondContact O-N 3.45Å; T297-Y299 HydrophobicContact CG2-CD1 4.15Å; T297-Y299 HydrophobicContact CG2-CE1 3.97Å; Y299-V301 HydrophobicContact CD2-CG1 3.78Å; Y299-V301 HydrophobicContact CE2-CG1 3.51Å
300	P	97	Very high	92.4	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.045	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.7	176.9	33.3	-34.5	0	0	0	110.8	L248 F260 G283	L248-P300 HydrophobicContact CD1-CB 4.47Å; L248-P300 HydrophobicContact CD2-CB 3.84Å; L248-P300 HydrophobicContact CD2-CG 4.33Å; L248-P300 HydrophobicContact CG-CB 3.79Å; L248-P300 HydrophobicContact CG-CG 3.95Å; F260-P300 HydrophobicContact CZ-CG 4.4Å; G283-P300 CarbonylContact O-C 3.27Å; G283-P300 WeakPolarHBondContact O-CA 3.33Å
301	V	95.1	Very high	93.3	Very high	22 Å²	22	49.4 Å²	49.4	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.3	171.4	-66.4	0	0	0	0	109.3	F282 G283 Y299 L303	F282-V301 CarbonylContact C-O 3.55Å; F282-V301 WeakPolarHBondContact CA-O 3.42Å; G283-V301 PolarHBondContact N-O 3.23Å; G283-V301 WeakPolarHBondContact O-CG2 3.47Å; G283-V301 PolarHBondContact O-N 3.47Å; Y299-V301 HydrophobicContact CD2-CG1 3.78Å; Y299-V301 HydrophobicContact CE2-CG1 3.51Å; V301-L303 HydrophobicContact CG2-CD2 3.89Å
302	S	93.4	Very high	94.6	Very high	28 Å²	28	33.3 Å²	33.3	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.3	163.9	-72.3	0	0	0	0	108.7	S230 F282	S230-S302 PolarHBondContact OG-OG 2.87Å; F282-S302 WeakPolarHBondContact CE1-OG 3.21Å
303	L	91.4	Very high	95.5	Very high	103 Å²	103	27.5 Å²	27.5	54%	0.539	15%	0.148	S	C	.	.			trans	-99.3	0	177.6	-59.3	179	0	0	0	112.2	R274 P281 F282 V301	R274-L303 HydrophobicContact CG-CD1 4.08Å; P281-L303 HydrophobicContact CB-CB 4.11Å; P281-L303 HydrophobicContact CG-CB 4.27Å; P281-L303 PolarHBondContact O-N 3Å; P281-L303 VanDerWaalsContact O-N 3.11Å; F282-L303 VanDerWaalsContact C-CD1 3.49Å; F282-L303 WeakPolarHBondContact O-CD1 3.12Å; V301-L303 HydrophobicContact CG2-CD2 3.89Å

Retrieved 303 of 303 residues in 282.4 ms (Link to these results)

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