A0A3Q0KU07_SCHMA Loading...

Putative glycosyltransferase 14 family member

AlphaFold DB , UniProt , Accession A0A3Q0KU07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	39	Very low	238 Å²	238	148.8 Å²	148.8	100%	1.172	80%	0.804	S	S	*	*				0	120.4	0	-94.1	173	91	0	0	108.6
2	L	32.4	Very low	40.1	Very low	168 Å²	168	154.9 Å²	154.9	88%	0.88	81%	0.807	S	S	*	*			trans	-62.4	140.1	169	-91.1	101.3	0	0	0	110.6
3	I	32.4	Very low	41.4	Very low	159 Å²	159	154.8 Å²	154.8	82%	0.815	80%	0.797	S	S	*	*			trans	-132.8	125.6	157.3	-64	179.8	0	0	0	108.1
4	I	38.3	Very low	42.4	Very low	133 Å²	133	151.1 Å²	151.1	68%	0.682	78%	0.778	S	S	*	*			trans	-75.6	144.8	172.9	-60	159.6	0	0	0	108.3
5	P	33	Very low	43.3	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	76%	0.757	S	S	*	*				-146.5	126.1	98.5	28.7	-7.3	0	0	0	115	K7	P5-K7 PolarHBondContact O-N 3.24Å
6	L	32.6	Very low	44.4	Very low	172 Å²	172	145.1 Å²	145.1	90%	0.901	74%	0.744	S	S	*	*			trans	-68.4	106.8	157.4	-94.8	101.8	0	0	0	108.7
7	K	37	Very low	45.5	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	73%	0.726	S	S	*	*			trans	-92	115	169.1	-107.2	178.6	177.5	176.9	0	109.8	P5 T9	P5-K7 PolarHBondContact O-N 3.24Å; K7-T9 PolarHBondContact O-N 3.01Å
8	L	37.1	Very low	46.5	Very low	166 Å²	166	138.2 Å²	138.2	87%	0.869	71%	0.709	S	S	*	*			trans	-24.5	105.2	168.5	-74.6	134.8	0	0	0	114.8	S10	L8-S10 PolarHBondContact O-N 3.18Å
9	T	41.9	Very low	47.5	Very low	139 Å²	139	136.7 Å²	136.7	85%	0.853	70%	0.701	S	S	*	*			trans	-75.7	70.8	164.7	48.3	0	0	0	0	110.1	K7	K7-T9 PolarHBondContact O-N 3.01Å
10	S	53.8	Low	48.3	Very low	77 Å²	77	138.9 Å²	138.9	54%	0.538	70%	0.7	S	S	.	*			trans	-119.5	-6.5	178.4	-170.5	0	0	0	0	114.9	L8	L8-S10 PolarHBondContact O-N 3.18Å
11	S	52.4	Low	49.1	Very low	83 Å²	83	135.9 Å²	135.9	58%	0.58	69%	0.692	S	S	*	*	H	α-helix	trans	-81.4	-40.7	178.5	143.6	0	0	0	0	112.8	F13 N15	S11-F13 PolarHBondContact O-N 3.27Å; S11-N15 PolarHBondContact O-N 3.1Å; S11-N15 VanDerWaalsContact O-N 3.14Å
12	R	51.9	Low	50.6	Low	222 Å²	222	129.5 Å²	129.5	84%	0.838	66%	0.662	S	S	*	*	H	α-helix	trans	-67.7	-37.4	-177.1	-82.3	-173.2	175.8	-177.8	-0.9	113	H16	R12-H16 PolarHBondContact O-N 3.19Å; R12-H16 VanDerWaalsContact O-N 3.12Å
13	F	57.5	Low	52.3	Low	154 Å²	154	123.4 Å²	123.4	68%	0.675	64%	0.639	S	S	*	*	H	α-helix	trans	-70.4	-41	-178.9	-153.5	-96.4	0	0	0	111.7	S11 H16 I17	S11-F13 PolarHBondContact O-N 3.27Å; F13-H16 PolarHBondContact O-N 3.14Å; F13-I17 HydrophobicContact CD1-CD1 3.84Å; F13-I17 HydrophobicContact CD1-CG1 4.46Å; F13-I17 HydrophobicContact CE1-CD1 3.88Å; F13-I17 HydrophobicContact CE1-CG1 4.48Å; F13-I17 PolarHBondContact O-N 3.14Å; F13-I17 VanDerWaalsContact O-N 3.14Å
14	L	54.9	Low	54.3	Low	103 Å²	103	121.1 Å²	121.1	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-64.3	-43.5	176.7	-164.7	72.6	0	0	0	111.7	H16 I17 I18	L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.12Å; L14-I17 PolarHBondContact O-N 3.49Å; L14-I18 HydrophobicContact CG-CD1 4.16Å; L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 3.11Å
15	N	56.1	Low	55.9	Low	87 Å²	87	116.3 Å²	116.3	47%	0.465	61%	0.611	S	S	.	*	H	α-helix	trans	-60	-37.5	174.1	-80.6	-4.2	0	0	0	111.9	S11 I18 I19	S11-N15 PolarHBondContact O-N 3.1Å; S11-N15 VanDerWaalsContact O-N 3.14Å; N15-I18 PolarHBondContact O-N 3.31Å; N15-I19 WeakPolarHBondContact O-CB 3.28Å; N15-I19 WeakPolarHBondContact O-CD1 3.17Å; N15-I19 WeakPolarHBondContact O-CG1 3.4Å; N15-I19 PolarHBondContact O-N 3.44Å
16	H	60.5	Low	57.9	Low	118 Å²	118	113.8 Å²	113.8	55%	0.546	60%	0.596	S	S	.	*	H	α-helix	trans	-67.2	-38.2	179.3	-124.7	-16	0	0	0	112.9	R12 F13 L14 R20	R12-H16 PolarHBondContact O-N 3.19Å; R12-H16 VanDerWaalsContact O-N 3.12Å; F13-H16 PolarHBondContact O-N 3.14Å; L14-H16 VanDerWaalsContact C-N 3.26Å; L14-H16 PolarHBondContact O-N 3.12Å; H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.34Å; H16-R20 VanDerWaalsContact O-N 3.1Å
17	I	63.6	Low	60.1	Low	86 Å²	86	112 Å²	112	44%	0.441	58%	0.581	S	S	.	*	H	α-helix	trans	-66.8	-46.3	175.3	-65.4	170.8	0	0	0	110.3	F13 L14 I19 R20 S21	F13-I17 HydrophobicContact CD1-CD1 3.84Å; F13-I17 HydrophobicContact CD1-CG1 4.46Å; F13-I17 HydrophobicContact CE1-CD1 3.88Å; F13-I17 HydrophobicContact CE1-CG1 4.48Å; F13-I17 PolarHBondContact O-N 3.14Å; F13-I17 VanDerWaalsContact O-N 3.14Å; L14-I17 PolarHBondContact O-N 3.49Å; I17-I19 PolarHBondContact O-N 2.96Å; I17-R20 PolarHBondContact O-N 3.25Å; I17-S21 PolarHBondContact O-N 3.45Å; I17-S21 PolarHBondContact O-OG 2.96Å; I17-S21 VanDerWaalsContact O-OG 3.11Å
18	I	63.6	Low	62.2	Low	81 Å²	81	107.6 Å²	107.6	42%	0.415	57%	0.566	S	S	.	*	H	α-helix	trans	-60.6	-45.9	179.1	-67.1	168.5	0	0	0	110.9	L14 N15 R20 S21 I22	L14-I18 HydrophobicContact CG-CD1 4.16Å; L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 3.11Å; N15-I18 PolarHBondContact O-N 3.31Å; I18-R20 VanDerWaalsContact C-N 3.35Å; I18-R20 PolarHBondContact O-N 2.95Å; I18-S21 PolarHBondContact O-N 3.5Å; I18-I22 HydrophobicContact CG2-CD1 3.68Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 2.96Å
19	I	65	Low	64.1	Low	110 Å²	110	104.5 Å²	104.5	56%	0.564	55%	0.549	S	S	*	.	H	α-helix	trans	-62	-41.7	178.4	-68.6	165.3	0	0	0	111.2	N15 I17 I22 G23	N15-I19 WeakPolarHBondContact O-CB 3.28Å; N15-I19 WeakPolarHBondContact O-CD1 3.17Å; N15-I19 WeakPolarHBondContact O-CG1 3.4Å; N15-I19 PolarHBondContact O-N 3.44Å; I17-I19 PolarHBondContact O-N 2.96Å; I19-I22 PolarHBondContact O-N 3.02Å; I19-G23 PolarHBondContact O-N 3.37Å
20	R	63.2	Low	65.9	Low	180 Å²	180	102.2 Å²	102.2	68%	0.679	53%	0.531	S	S	*	.	H	α-helix	trans	-65.5	-42.6	177.1	-78.6	-174	175.7	-165.3	-0.2	112.1	H16 I17 I18 G23 I24	H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.34Å; H16-R20 VanDerWaalsContact O-N 3.1Å; I17-R20 PolarHBondContact O-N 3.25Å; I18-R20 VanDerWaalsContact C-N 3.35Å; I18-R20 PolarHBondContact O-N 2.95Å; R20-G23 PolarHBondContact O-N 3.44Å; R20-I24 WeakPolarHBondContact O-CG1 3.37Å; R20-I24 PolarHBondContact O-N 3.26Å
21	S	66.4	Low	67.2	Low	75 Å²	75	102.7 Å²	102.7	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-41.2	177.6	-60.4	0	0	0	0	112.3	I17 I18 G23 I24 G25	I17-S21 PolarHBondContact O-N 3.45Å; I17-S21 PolarHBondContact O-OG 2.96Å; I17-S21 VanDerWaalsContact O-OG 3.11Å; I18-S21 PolarHBondContact O-N 3.5Å; S21-G23 VanDerWaalsContact C-N 3.33Å; S21-I24 PolarHBondContact O-N 3.4Å; S21-G25 PolarHBondContact O-N 3.02Å
22	I	69.7	Low	68.3	Low	105 Å²	105	104.2 Å²	104.2	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.2	-66.7	168	0	0	0	110.8	I18 I19 S26	I18-I22 HydrophobicContact CG2-CD1 3.68Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 2.96Å; I19-I22 PolarHBondContact O-N 3.02Å; I22-S26 WeakPolarHBondContact O-CB 3.5Å; I22-S26 PolarHBondContact O-N 3.46Å; I22-S26 PolarHBondContact O-OG 2.92Å
23	G	67.7	Low	69.4	Low	40 Å²	40	98.9 Å²	98.9	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-47.2	176.6	0	0	0	0	0	112.8	I19 R20 S21 S26 F27	I19-G23 PolarHBondContact O-N 3.37Å; R20-G23 PolarHBondContact O-N 3.44Å; S21-G23 VanDerWaalsContact C-N 3.33Å; G23-S26 PolarHBondContact O-N 3.11Å; G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.43Å
24	I	74.2	Confident	70.1	Confident	111 Å²	111	95.7 Å²	95.7	57%	0.569	51%	0.505	S	S	*	.	H	α-helix	trans	-66	-43	178.5	-65.1	164.6	0	0	0	110.9	R20 S21 S26 F27 L28	R20-I24 WeakPolarHBondContact O-CG1 3.37Å; R20-I24 PolarHBondContact O-N 3.26Å; S21-I24 PolarHBondContact O-N 3.4Å; I24-S26 PolarHBondContact O-N 3.49Å; I24-F27 PolarHBondContact O-N 3.29Å; I24-L28 HydrophobicContact CG2-CD1 4.27Å; I24-L28 PolarHBondContact O-N 2.95Å; I24-L28 VanDerWaalsContact O-N 3.11Å
25	G	71.2	Confident	70.7	Confident	32 Å²	32	97.4 Å²	97.4	33%	0.33	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-44.5	176.4	0	0	0	0	0	112.5	S21 F27 L28 I29	S21-G25 PolarHBondContact O-N 3.02Å; G25-F27 VanDerWaalsContact C-N 3.34Å; G25-F27 PolarHBondContact O-N 2.99Å; G25-L28 PolarHBondContact O-N 2.75Å; G25-I29 WeakPolarHBondContact O-CG1 3.5Å; G25-I29 PolarHBondContact O-N 3.37Å
26	S	75.8	Confident	70.9	Confident	57 Å²	57	98.4 Å²	98.4	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.5	-57.8	0	0	0	0	112.1	I22 G23 I24 I29 I30	I22-S26 WeakPolarHBondContact O-CB 3.5Å; I22-S26 PolarHBondContact O-N 3.46Å; I22-S26 PolarHBondContact O-OG 2.92Å; G23-S26 PolarHBondContact O-N 3.11Å; I24-S26 PolarHBondContact O-N 3.49Å; S26-I29 PolarHBondContact O-N 2.95Å; S26-I30 VanDerWaalsContact O-CG1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.27Å; S26-I30 PolarHBondContact O-N 3.31Å
27	F	79.3	Confident	70.8	Confident	134 Å²	134	99.4 Å²	99.4	59%	0.588	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-41.6	179.1	-169.8	-99.4	0	0	0	112.4	G23 I24 G25 I30 L31	G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.43Å; I24-F27 PolarHBondContact O-N 3.29Å; G25-F27 VanDerWaalsContact C-N 3.34Å; G25-F27 PolarHBondContact O-N 2.99Å; F27-I30 PolarHBondContact O-N 3.46Å; F27-L31 HydrophobicContact CD1-CD1 4.16Å; F27-L31 HydrophobicContact CE1-CD1 3.51Å; F27-L31 HydrophobicContact CZ-CD1 3.84Å; F27-L31 PolarHBondContact O-N 2.95Å
28	L	80.4	Confident	70.2	Confident	100 Å²	100	101.6 Å²	101.6	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-39.1	177.1	-74.3	167.4	0	0	0	112.6	I24 G25 L31 L32	I24-L28 HydrophobicContact CG2-CD1 4.27Å; I24-L28 PolarHBondContact O-N 2.95Å; I24-L28 VanDerWaalsContact O-N 3.11Å; G25-L28 PolarHBondContact O-N 2.75Å; L28-L31 PolarHBondContact O-N 2.8Å; L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 PolarHBondContact O-N 3.18Å
29	I	78.2	Confident	69.4	Low	101 Å²	101	101.5 Å²	101.5	52%	0.518	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175.6	-67.3	168.8	0	0	0	110.3	G25 S26 L31 L32 L33	G25-I29 WeakPolarHBondContact O-CG1 3.5Å; G25-I29 PolarHBondContact O-N 3.37Å; S26-I29 PolarHBondContact O-N 2.95Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.81Å; I29-L32 PolarHBondContact O-N 3.4Å; I29-L33 HydrophobicContact CG2-CD1 3.95Å; I29-L33 HydrophobicContact CG2-CG 4.35Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 VanDerWaalsContact O-CG 3.27Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.48Å
30	I	79.7	Confident	68.4	Low	91 Å²	91	100.9 Å²	100.9	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-42.1	175.9	-68.4	165.7	0	0	0	110.5	S26 F27 L32 L33 I34	S26-I30 VanDerWaalsContact O-CG1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.27Å; S26-I30 PolarHBondContact O-N 3.31Å; F27-I30 PolarHBondContact O-N 3.46Å; I30-L32 PolarHBondContact O-N 3.03Å; I30-L33 PolarHBondContact O-N 3.34Å; I30-I34 HydrophobicContact CG2-CD1 3.65Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 WeakPolarHBondContact O-CB 3.46Å; I30-I34 VanDerWaalsContact O-CG1 3.26Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.45Å
31	L	79.3	Confident	67.3	Low	87 Å²	87	96.6 Å²	96.6	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-42.7	177.9	-135.1	111	0	0	0	111.8	F27 L28 I29 I34 F35	F27-L31 HydrophobicContact CD1-CD1 4.16Å; F27-L31 HydrophobicContact CE1-CD1 3.51Å; F27-L31 HydrophobicContact CZ-CD1 3.84Å; F27-L31 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 2.8Å; I29-L31 VanDerWaalsContact C-N 3.32Å; I29-L31 PolarHBondContact O-N 2.81Å; L31-I34 PolarHBondContact O-N 3.24Å; L31-F35 WeakPolarHBondContact O-CB 3.31Å; L31-F35 PolarHBondContact O-N 2.87Å
32	L	75.8	Confident	65.9	Low	114 Å²	114	97.9 Å²	97.9	60%	0.597	54%	0.538	S	S	*	.	H	α-helix	trans	-63.4	-39.8	174	-86.7	158.7	0	0	0	112.4	L28 I29 I30 F35 N36	L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 PolarHBondContact O-N 3.18Å; I29-L32 PolarHBondContact O-N 3.4Å; I30-L32 PolarHBondContact O-N 3.03Å; L32-F35 PolarHBondContact O-N 2.69Å; L32-N36 VanDerWaalsContact O-CB 3.31Å; L32-N36 WeakPolarHBondContact O-CB 3.3Å; L32-N36 PolarHBondContact O-N 3.25Å
33	L	74.7	Confident	64.3	Low	110 Å²	110	98.7 Å²	98.7	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-66.9	-41.5	175.3	-71.6	171.8	0	0	0	111.5	I29 I30 N36 H37	I29-L33 HydrophobicContact CG2-CD1 3.95Å; I29-L33 HydrophobicContact CG2-CG 4.35Å; I29-L33 WeakPolarHBondContact O-CB 3.26Å; I29-L33 VanDerWaalsContact O-CG 3.27Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.48Å; I30-L33 PolarHBondContact O-N 3.34Å; L33-N36 PolarHBondContact O-N 2.9Å; L33-H37 VanDerWaalsContact O-CB 3.23Å; L33-H37 WeakPolarHBondContact O-CB 3.31Å; L33-H37 PolarHBondContact O-N 2.76Å
34	I	72.5	Confident	63.1	Low	88 Å²	88	100.2 Å²	100.2	45%	0.451	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-43.4	174.5	-69.5	169.1	0	0	0	110.4	I30 L31 H37 L38	I30-I34 HydrophobicContact CG2-CD1 3.65Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 WeakPolarHBondContact O-CB 3.46Å; I30-I34 VanDerWaalsContact O-CG1 3.26Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.45Å; L31-I34 PolarHBondContact O-N 3.24Å; I34-H37 CarbonylContact O-C 3.53Å; I34-H37 PolarHBondContact O-N 3.44Å; I34-L38 HydrophobicContact CG2-CD1 3.56Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 VanDerWaalsContact O-CB 3.31Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.31Å; I34-L38 PolarHBondContact O-N 2.86Å
35	F	69	Low	61.6	Low	139 Å²	139	100.7 Å²	100.7	61%	0.61	54%	0.541	S	S	*	.	H	α-helix	trans	-64.7	-41.7	177.7	-133.3	-85.6	0	0	0	111.4	L31 L32 L38 S39	L31-F35 WeakPolarHBondContact O-CB 3.31Å; L31-F35 PolarHBondContact O-N 2.87Å; L32-F35 PolarHBondContact O-N 2.69Å; F35-L38 PolarHBondContact O-N 3.48Å; F35-S39 VanDerWaalsContact O-CB 3.3Å; F35-S39 WeakPolarHBondContact O-CB 3.23Å; F35-S39 PolarHBondContact O-N 3.2Å; F35-S39 PolarHBondContact O-OG 3.47Å
36	N	59.3	Low	59.9	Low	108 Å²	108	102.1 Å²	102.1	58%	0.578	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-41.4	172.1	-88.1	-30.5	0	0	0	111.3	L32 L33 S39 I40	L32-N36 VanDerWaalsContact O-CB 3.31Å; L32-N36 WeakPolarHBondContact O-CB 3.3Å; L32-N36 PolarHBondContact O-N 3.25Å; L33-N36 PolarHBondContact O-N 2.9Å; N36-S39 PolarHBondContact O-N 2.81Å; N36-I40 WeakPolarHBondContact O-CG1 3.46Å; N36-I40 PolarHBondContact O-N 2.8Å
37	H	57.9	Low	58.3	Low	139 Å²	139	104.2 Å²	104.2	64%	0.644	54%	0.543	S	S	*	.	H	α-helix	trans	-69.3	-33.7	178.9	-161.4	-45.9	0	0	0	112.5	L33 I34 S39 I40	L33-H37 VanDerWaalsContact O-CB 3.23Å; L33-H37 WeakPolarHBondContact O-CB 3.31Å; L33-H37 PolarHBondContact O-N 2.76Å; I34-H37 CarbonylContact O-C 3.53Å; I34-H37 PolarHBondContact O-N 3.44Å; H37-S39 VanDerWaalsContact C-N 3.35Å; H37-I40 WeakPolarHBondContact O-CB 3.31Å; H37-I40 PolarHBondContact O-N 3.44Å
38	L	51.5	Low	56.2	Low	132 Å²	132	103.9 Å²	103.9	69%	0.691	54%	0.539	S	S	*	.	H	α-helix	trans	-76.3	-22.7	173.4	-75.4	165.7	0	0	0	112.4	I34 F35 I40	I34-L38 HydrophobicContact CG2-CD1 3.56Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 VanDerWaalsContact O-CB 3.31Å; I34-L38 WeakPolarHBondContact O-CB 3.47Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.31Å; I34-L38 PolarHBondContact O-N 2.86Å; F35-L38 PolarHBondContact O-N 3.48Å; L38-I40 VanDerWaalsContact C-N 3.3Å
39	S	47.4	Very low	54.1	Low	78 Å²	78	105.2 Å²	105.2	55%	0.545	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.1	173.4	-56.7	0	0	0	0	112.7	F35 N36 H37 P41	F35-S39 VanDerWaalsContact O-CB 3.3Å; F35-S39 WeakPolarHBondContact O-CB 3.23Å; F35-S39 PolarHBondContact O-N 3.2Å; F35-S39 PolarHBondContact O-OG 3.47Å; N36-S39 PolarHBondContact O-N 2.81Å; H37-S39 VanDerWaalsContact C-N 3.35Å; S39-P41 WeakPolarHBondContact O-CD 3.37Å
40	I	44.1	Very low	51.8	Low	98 Å²	98	108.7 Å²	108.7	50%	0.503	55%	0.546	S	S	.	.	S	Bend	trans	-71.4	120.8	166.7	-60.1	169.5	0	0	0	106.2	N36 H37 L38 S42	N36-I40 WeakPolarHBondContact O-CG1 3.46Å; N36-I40 PolarHBondContact O-N 2.8Å; H37-I40 WeakPolarHBondContact O-CB 3.31Å; H37-I40 PolarHBondContact O-N 3.44Å; L38-I40 VanDerWaalsContact C-N 3.3Å; I40-S42 PolarHBondContact O-N 3.25Å
41	P	38.8	Very low	49.7	Very low	90 Å²	90	107.5 Å²	107.5	58%	0.584	55%	0.546	S	S	*	.			trans	-61.1	100.3	177	-17.5	29.8	0	0	0	109.6	S39 D43	S39-P41 WeakPolarHBondContact O-CD 3.37Å; P41-D43 PolarHBondContact O-N 3.18Å
42	S	36.8	Very low	47.8	Very low	102 Å²	102	111.3 Å²	111.3	71%	0.713	57%	0.566	S	S	*	*			trans	-71.1	100.2	159.8	52.5	0	0	0	0	106.6	I40	I40-S42 PolarHBondContact O-N 3.25Å
43	D	37.5	Very low	46	Very low	121 Å²	121	109.5 Å²	109.5	65%	0.647	58%	0.576	S	S	*	*			trans	166.8	78.7	135.6	-80.4	-19.6	0	0	0	109.5	P41 H45	P41-D43 PolarHBondContact O-N 3.18Å; D43-H45 PolarHBondContact O-N 3.49Å
44	I	41.7	Very low	43.9	Very low	73 Å²	73	108.5 Å²	108.5	37%	0.374	57%	0.574	S	S	.	*			trans	-84.2	103	154.6	-53.9	177.7	0	0	0	106.1	I46 Y59 I80	I44-I46 PolarHBondContact O-N 3.2Å; I44-Y59 HydrophobicContact CB-CD1 4.4Å; I44-Y59 HydrophobicContact CB-CE1 4.14Å; I44-Y59 HydrophobicContact CG2-CD1 3.12Å; I44-Y59 HydrophobicContact CG2-CE1 3.24Å; I44-Y59 HydrophobicContact CG2-CG 4.25Å; I44-I80 HydrophobicContact CD1-CD1 4.33Å
45	H	42.3	Very low	41.8	Very low	121 Å²	121	109.5 Å²	109.5	56%	0.56	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-63.3	118.1	173.2	-74	-69.3	0	0	0	110.4	D43	D43-H45 PolarHBondContact O-N 3.49Å
46	I	37.1	Very low	40.4	Very low	62 Å²	62	104.8 Å²	104.8	32%	0.318	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	121	179.9	-59.8	169.5	0	0	0	108.4	I44 Y48 K57 Y59	I44-I46 PolarHBondContact O-N 3.2Å; I46-Y48 HydrophobicContact CB-CE2 4.32Å; I46-Y48 HydrophobicContact CG2-CD2 4.19Å; I46-Y48 HydrophobicContact CG2-CE1 4.28Å; I46-Y48 HydrophobicContact CG2-CE2 3.79Å; I46-K57 HydrophobicContact CG2-CB 4.24Å; I46-K57 HydrophobicContact CG2-CG 4.09Å; I46-Y59 HydrophobicContact CG1-CD1 4.49Å; I46-Y59 HydrophobicContact CG1-CE1 3.69Å
47	H	42.1	Very low	39.5	Very low	100 Å²	100	105 Å²	105	46%	0.463	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	131.4	164.5	-73.5	-89	0	0	0	109.8	Y49 R58	H47-Y49 HydrophobicContact CB-CD2 4.3Å; H47-Y49 HydrophobicContact CB-CE2 3.63Å; H47-R58 PolarHBondContact N-O 2.97Å; H47-R58 PolarHBondContact O-N 3.09Å
48	Y	34.4	Very low	39.1	Very low	127 Å²	127	101.7 Å²	101.7	50%	0.498	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.3	176.5	-65.4	-91.4	0	0	0	109.5	I46	I46-Y48 HydrophobicContact CB-CE2 4.32Å; I46-Y48 HydrophobicContact CG2-CD2 4.19Å; I46-Y48 HydrophobicContact CG2-CE1 4.28Å; I46-Y48 HydrophobicContact CG2-CE2 3.79Å
49	Y	36.2	Very low	39.3	Very low	128 Å²	128	96.7 Å²	96.7	50%	0.502	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.3	170.2	-66.1	-86.6	0	0	0	110.5	H47 I56 R58	H47-Y49 HydrophobicContact CB-CD2 4.3Å; H47-Y49 HydrophobicContact CB-CE2 3.63Å; Y49-I56 PolarHBondContact N-O 3.3Å; Y49-I56 PolarHBondContact O-N 2.65Å; Y49-R58 HydrophobicContact CD2-CB 3.91Å; Y49-R58 HydrophobicContact CE2-CB 4.29Å
50	Y	30.3	Very low	40.6	Very low	175 Å²	175	96.3 Å²	96.3	69%	0.686	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	175.3	-69.4	-93.4	0	0	0	109.5	Q55	Y50-Q55 HydrophobicContact CD1-CG 4.28Å; Y50-Q55 HydrophobicContact CE1-CG 3.82Å; Y50-Q55 PolarHBondContact OH-NE2 3.2Å
51	S	34.6	Very low	42.3	Very low	66 Å²	66	92.5 Å²	92.5	46%	0.462	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	124.7	168.5	-177	0	0	0	0	109	G53 T54	S51-G53 VanDerWaalsContact C-N 3.27Å; S51-G53 PolarHBondContact O-N 3.45Å; S51-T54 PolarHBondContact N-O 3.29Å; S51-T54 PolarHBondContact O-N 3.12Å; S51-T54 PolarHBondContact O-OG1 2.88Å
52	N	39	Very low	44.5	Very low	166 Å²	166	89.3 Å²	89.3	89%	0.888	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	43.5	-176.7	-69.9	-5.7	0	0	0	115	T54	N52-T54 VanDerWaalsContact C-N 3.3Å; N52-T54 PolarHBondContact O-N 3.37Å
53	G	38.3	Very low	46.8	Very low	77 Å²	77	88.8 Å²	88.8	79%	0.794	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-1.8	172	0	0	0	0	0	116.1	S51	S51-G53 VanDerWaalsContact C-N 3.27Å; S51-G53 PolarHBondContact O-N 3.45Å
54	T	31.7	Very low	49.2	Very low	88 Å²	88	83.5 Å²	83.5	54%	0.54	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.1	172.5	46.2	0	0	0	0	111.5	S51 N52	S51-T54 PolarHBondContact N-O 3.29Å; S51-T54 PolarHBondContact O-N 3.12Å; S51-T54 PolarHBondContact O-OG1 2.88Å; N52-T54 VanDerWaalsContact C-N 3.3Å; N52-T54 PolarHBondContact O-N 3.37Å
55	Q	28.8	Very low	51.5	Low	110 Å²	110	80 Å²	80	51%	0.514	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.2	170.7	-79.8	-136.9	-10	0	0	109.7	Y50	Y50-Q55 HydrophobicContact CD1-CG 4.28Å; Y50-Q55 HydrophobicContact CE1-CG 3.82Å; Y50-Q55 PolarHBondContact OH-NE2 3.2Å
56	I	38.1	Very low	53.9	Low	39 Å²	39	77 Å²	77	20%	0.2	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.1	177.4	-57.7	167.9	0	0	0	107.7	Y49 R58 L86	Y49-I56 PolarHBondContact N-O 3.3Å; Y49-I56 PolarHBondContact O-N 2.65Å; I56-R58 PolarHBondContact O-N 3.49Å; I56-L86 HydrophobicContact CD1-CD1 3.84Å; I56-L86 HydrophobicContact CG2-CD1 3.7Å
57	K	40.5	Very low	56.3	Low	112 Å²	112	77.9 Å²	77.9	49%	0.487	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	112.5	168.1	-70.5	-179.1	-179.3	176	0	107.4	I46 Y59 S83	I46-K57 HydrophobicContact CG2-CB 4.24Å; I46-K57 HydrophobicContact CG2-CG 4.09Å; K57-Y59 HydrophobicContact CB-CE2 4.39Å; K57-S83 WeakPolarHBondContact O-CB 3.47Å; K57-S83 PolarHBondContact O-OG 3.06Å; K57-S83 VanDerWaalsContact O-OG 3.06Å
58	R	49.2	Very low	58.6	Low	70 Å²	70	73.2 Å²	73.2	26%	0.264	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	176.6	-157.9	177.4	-171.5	164.2	5.6	109.3	H47 Y49 I56 L86	H47-R58 PolarHBondContact N-O 2.97Å; H47-R58 PolarHBondContact O-N 3.09Å; Y49-R58 HydrophobicContact CD2-CB 3.91Å; Y49-R58 HydrophobicContact CE2-CB 4.29Å; I56-R58 PolarHBondContact O-N 3.49Å; R58-L86 PolarHBondContact NH2-O 3.48Å
59	Y	57.5	Low	61.5	Low	27 Å²	27	68.2 Å²	68.2	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142	-179.9	-67.3	-76.1	0	0	0	110.2	I44 I46 K57 I61 V64 I80 N84	I44-Y59 HydrophobicContact CB-CD1 4.4Å; I44-Y59 HydrophobicContact CB-CE1 4.14Å; I44-Y59 HydrophobicContact CG2-CD1 3.12Å; I44-Y59 HydrophobicContact CG2-CE1 3.24Å; I44-Y59 HydrophobicContact CG2-CG 4.25Å; I46-Y59 HydrophobicContact CG1-CD1 4.49Å; I46-Y59 HydrophobicContact CG1-CE1 3.69Å; K57-Y59 HydrophobicContact CB-CE2 4.39Å; Y59-I61 PolarHBondContact O-N 3.11Å; Y59-I61 VanDerWaalsContact O-N 3.16Å; Y59-V64 HydrophobicContact CG-CG2 4.41Å; Y59-I80 HydrophobicContact CD2-CB 4.41Å; Y59-I80 HydrophobicContact CD2-CG2 3.59Å; Y59-I80 HydrophobicContact CE2-CB 4.05Å; Y59-I80 HydrophobicContact CE2-CG1 4.04Å; Y59-I80 HydrophobicContact CE2-CG2 3.64Å; Y59-I80 HydrophobicContact CG-CG2 4.14Å; Y59-N84 PolarHBondContact N-OD1 3.27Å; Y59-N84 PolarHBondContact O-OD1 3.37Å
60	N	74.5	Confident	64	Low	71 Å²	71	71.3 Å²	71.3	38%	0.38	36%	0.356	S	S	.	.			trans	-65.6	118.2	172.5	-174.8	-21.2	0	0	0	109	S62 H63 V64	N60-S62 PolarHBondContact ND2-OG 2.92Å; N60-S62 PolarHBondContact O-N 3.05Å; N60-S62 VanDerWaalsContact O-N 3.11Å; N60-S62 PolarHBondContact OD1-N 3.28Å; N60-S62 VanDerWaalsContact OD1-N 3.12Å; N60-S62 PolarHBondContact OD1-OG 2.88Å; N60-H63 PolarHBondContact O-N 3.3Å; N60-V64 PolarHBondContact O-N 3Å
61	I	80.1	Confident	66.5	Low	17 Å²	17	65.3 Å²	65.3	9%	0.087	34%	0.336	C	S	.	.	H	α-helix	trans	-54	-34.9	-176.6	-169.9	61	0	0	0	112.4	Y59 H63 V64 C65 L87 Y108 I391 D394	Y59-I61 PolarHBondContact O-N 3.11Å; Y59-I61 VanDerWaalsContact O-N 3.16Å; I61-H63 PolarHBondContact O-N 3.19Å; I61-V64 PolarHBondContact O-N 3.46Å; I61-C65 WeakPolarHBondContact O-CB 3.4Å; I61-C65 PolarHBondContact O-N 3.06Å; I61-C65 PolarHBondContact O-SG 3.42Å; I61-L87 HydrophobicContact CB-CD1 3.94Å; I61-L87 HydrophobicContact CG1-CD1 4.41Å; I61-L87 HydrophobicContact CG2-CD1 4.28Å; I61-Y108 HydrophobicContact CG2-CE1 4.38Å; I61-I391 HydrophobicContact CD1-CD1 3.73Å; I61-D394 HydrophobicContact CD1-CB 4.15Å
62	S	85.1	Confident	68.2	Low	24 Å²	24	66.2 Å²	66.2	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-50.2	176.5	58.1	0	0	0	0	112.2	N60 V64 C65 E66	N60-S62 PolarHBondContact ND2-OG 2.92Å; N60-S62 PolarHBondContact O-N 3.05Å; N60-S62 VanDerWaalsContact O-N 3.11Å; N60-S62 PolarHBondContact OD1-N 3.28Å; N60-S62 VanDerWaalsContact OD1-N 3.12Å; N60-S62 PolarHBondContact OD1-OG 2.88Å; S62-V64 VanDerWaalsContact C-N 3.33Å; S62-V64 PolarHBondContact O-N 3.08Å; S62-C65 PolarHBondContact O-N 3.23Å; S62-E66 WeakPolarHBondContact O-CB 3.33Å; S62-E66 VanDerWaalsContact O-CG 3.27Å; S62-E66 WeakPolarHBondContact O-CG 3.33Å; S62-E66 PolarHBondContact O-N 2.84Å
63	H	84.4	Confident	69.1	Low	91 Å²	91	63.7 Å²	63.7	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-41.2	-178.5	-69.4	67	0	0	0	111.1	N60 I61 C65 Y67	N60-H63 PolarHBondContact O-N 3.3Å; I61-H63 PolarHBondContact O-N 3.19Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.5Å; H63-Y67 WeakPolarHBondContact O-CB 3.34Å; H63-Y67 PolarHBondContact O-N 3.07Å
64	V	86.7	Confident	69.9	Low	9 Å²	9	61.2 Å²	61.2	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-47	176.6	173.7	0	0	0	0	110.9	Y59 N60 I61 S62 Y67 L68 F81 I391	Y59-V64 HydrophobicContact CG-CG2 4.41Å; N60-V64 PolarHBondContact O-N 3Å; I61-V64 PolarHBondContact O-N 3.46Å; S62-V64 VanDerWaalsContact C-N 3.33Å; S62-V64 PolarHBondContact O-N 3.08Å; V64-Y67 PolarHBondContact O-N 3.37Å; V64-L68 HydrophobicContact CG1-CD1 3.89Å; V64-L68 VanDerWaalsContact O-CG 3.27Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.11Å; V64-F81 HydrophobicContact CG1-CD1 4Å; V64-F81 HydrophobicContact CG1-CE1 3.48Å; V64-F81 VanDerWaalsContact CG1-CE1 3.48Å; V64-I391 HydrophobicContact CG1-CD1 3.9Å; V64-I391 HydrophobicContact CG1-CG1 4.41Å
65	C	91.4	Very high	71	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-71.7	-42.4	-177.8	-63.4	0	0	0	0	112.5	I61 S62 H63 Y67 L68 F69 C395 Y398	I61-C65 WeakPolarHBondContact O-CB 3.4Å; I61-C65 PolarHBondContact O-N 3.06Å; I61-C65 PolarHBondContact O-SG 3.42Å; S62-C65 PolarHBondContact O-N 3.23Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.5Å; C65-Y67 VanDerWaalsContact C-N 3.26Å; C65-Y67 PolarHBondContact O-N 3.33Å; C65-L68 CarbonylContact O-C 3.46Å; C65-L68 PolarHBondContact O-N 2.98Å; C65-L68 VanDerWaalsContact O-N 3.07Å; C65-F69 HydrophobicContact CB-CE2 3.93Å; C65-F69 HydrophobicContact CB-CZ 4.09Å; C65-F69 WeakPolarHBondContact O-CD2 3.49Å; C65-F69 WeakPolarHBondContact O-CG 3.49Å; C65-F69 PolarHBondContact O-N 3.33Å; C65-C395 WeakPolarHBondContact CA-SG 3.19Å; C65-C395 HydrophobicContact CB-CB 3.62Å; C65-C395 WeakPolarHBondContact CB-SG 3.5Å; C65-C395 WeakPolarHBondContact SG-CA 3.27Å; C65-C395 WeakPolarHBondContact SG-CB 3.39Å; C65-C395 CovalentContact SG-SG 2.05Å; C65-C395 PolarHBondContact SG-SG 3.34Å; C65-Y398 HydrophobicContact CB-CD1 3.36Å; C65-Y398 HydrophobicContact CB-CE1 3.91Å; C65-Y398 HydrophobicContact CB-CG 4.08Å
66	E	91.5	Very high	71.8	Confident	59 Å²	59	67.6 Å²	67.6	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-40.1	172.6	-72.6	-63	145.9	0	0	112	S62 R70 Y398	S62-E66 WeakPolarHBondContact O-CB 3.33Å; S62-E66 VanDerWaalsContact O-CG 3.27Å; S62-E66 WeakPolarHBondContact O-CG 3.33Å; S62-E66 PolarHBondContact O-N 2.84Å; E66-R70 WeakPolarHBondContact O-CG 3.28Å; E66-R70 PolarHBondContact O-N 3.02Å; E66-R70 IonicContact OE2-NH2 3.64Å; E66-Y398 HydrophobicContact CG-CE1 4.12Å; E66-Y398 WeakPolarHBondContact OE1-CE1 3.37Å; E66-Y398 PolarHBondContact OE1-OH 2.83Å
67	Y	88.8	Confident	72.4	Confident	80 Å²	80	65.8 Å²	65.8	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-46.1	172.9	177.4	-86.8	0	0	0	112	H63 V64 C65 F69 R70 N71 V74	H63-Y67 WeakPolarHBondContact O-CB 3.34Å; H63-Y67 PolarHBondContact O-N 3.07Å; V64-Y67 PolarHBondContact O-N 3.37Å; C65-Y67 VanDerWaalsContact C-N 3.26Å; C65-Y67 PolarHBondContact O-N 3.33Å; Y67-F69 VanDerWaalsContact C-N 3.33Å; Y67-F69 PolarHBondContact O-N 3.27Å; Y67-R70 PolarHBondContact O-N 3.32Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.46Å; Y67-N71 HydrophobicContact CE1-CB 4.04Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.48Å; Y67-N71 PolarHBondContact O-N 2.93Å; Y67-N71 VanDerWaalsContact O-N 3.08Å; Y67-N71 PolarHBondContact O-ND2 2.84Å; Y67-V74 HydrophobicContact CE1-CG1 4.14Å; Y67-V74 HydrophobicContact CE1-CG2 4.26Å
68	L	90.8	Very high	72.8	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-71.5	-23.8	-177.9	-70.7	170.5	0	0	0	113.8	V64 C65 R70 V74 F81 L370 P371 I391	V64-L68 HydrophobicContact CG1-CD1 3.89Å; V64-L68 VanDerWaalsContact O-CG 3.27Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.11Å; C65-L68 CarbonylContact O-C 3.46Å; C65-L68 PolarHBondContact O-N 2.98Å; C65-L68 VanDerWaalsContact O-N 3.07Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-V74 HydrophobicContact CD2-CG2 3.93Å; L68-F81 HydrophobicContact CD1-CE1 3.7Å; L68-F81 HydrophobicContact CD1-CZ 3.67Å; L68-F81 HydrophobicContact CD2-CE1 4.44Å; L68-F81 HydrophobicContact CD2-CZ 3.67Å; L68-F81 HydrophobicContact CG-CE1 4.4Å; L68-F81 HydrophobicContact CG-CZ 4.1Å; L68-L370 HydrophobicContact CB-CB 4.33Å; L68-L370 HydrophobicContact CB-CD1 3.65Å; L68-L370 HydrophobicContact CD1-CD1 3.65Å; L68-L370 HydrophobicContact CG-CD1 4.2Å; L68-P371 WeakPolarHBondContact O-CD 3.15Å; L68-P371 WeakPolarHBondContact O-CG 3.06Å; L68-I391 HydrophobicContact CD1-CG1 3.74Å
69	F	93.5	Very high	72.8	Confident	23 Å²	23	72 Å²	72	10%	0.101	36%	0.355	C	S	.	.	H	α-helix	trans	-72.2	-24.9	171.5	-62.6	-41.7	0	0	0	112.7	C65 Y67 L370 P371 P374 C395 Y398 Y399	C65-F69 HydrophobicContact CB-CE2 3.93Å; C65-F69 HydrophobicContact CB-CZ 4.09Å; C65-F69 WeakPolarHBondContact O-CD2 3.49Å; C65-F69 WeakPolarHBondContact O-CG 3.49Å; C65-F69 PolarHBondContact O-N 3.33Å; Y67-F69 VanDerWaalsContact C-N 3.33Å; Y67-F69 PolarHBondContact O-N 3.27Å; F69-L370 HydrophobicContact CD1-CB 4.13Å; F69-L370 WeakPolarHBondContact CD1-O 3.26Å; F69-L370 HydrophobicContact CE1-CB 4.36Å; F69-L370 HydrophobicContact CE1-CD2 4.09Å; F69-P371 WeakPolarHBondContact O-CA 3.28Å; F69-P374 HydrophobicContact CB-CG 4.37Å; F69-P374 HydrophobicContact CD1-CG 4.22Å; F69-P374 HydrophobicContact CG-CG 4.26Å; F69-C395 HydrophobicContact CE1-CB 4.22Å; F69-C395 HydrophobicContact CZ-CB 4.07Å; F69-C395 VanDerWaalsContact CZ-O 3.31Å; F69-C395 WeakPolarHBondContact CZ-O 3.19Å; F69-Y398 AromaticContact CE2-CD1 3.8Å; F69-Y398 HydrophobicContact CE2-CD1 3.8Å; F69-Y398 HydrophobicContact CE2-CE1 4.03Å; F69-Y398 HydrophobicContact CZ-CD1 4.25Å; F69-Y399 HydrophobicContact CZ-CG 4.44Å
70	R	89.8	Confident	72.5	Confident	192 Å²	192	72.3 Å²	72.3	73%	0.725	36%	0.358	S	S	*	.	H	α-helix	trans	-96.1	-26.6	-177.8	-63.6	178.2	-166.8	-173.7	5	113.3	E66 Y67 L68	E66-R70 WeakPolarHBondContact O-CG 3.28Å; E66-R70 PolarHBondContact O-N 3.02Å; E66-R70 IonicContact OE2-NH2 3.64Å; Y67-R70 PolarHBondContact O-N 3.32Å; L68-R70 VanDerWaalsContact C-N 3.3Å
71	N	82.9	Confident	71.4	Confident	50 Å²	50	70.2 Å²	70.2	27%	0.267	35%	0.346	S	S	.	.			trans	-115.6	122	-171.9	-63.9	-64.9	0	0	0	112.3	Y67	Y67-N71 VanDerWaalsContact CD2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.46Å; Y67-N71 HydrophobicContact CE1-CB 4.04Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.48Å; Y67-N71 PolarHBondContact O-N 2.93Å; Y67-N71 VanDerWaalsContact O-N 3.08Å; Y67-N71 PolarHBondContact O-ND2 2.84Å
72	S	68.9	Low	69.8	Low	84 Å²	84	76.7 Å²	76.7	59%	0.587	38%	0.375	S	S	*	.	S	Bend	trans	-84.2	-26.8	175.3	61.3	0	0	0	0	113.4
73	T	59.7	Low	68	Low	113 Å²	113	76.4 Å²	76.4	69%	0.693	37%	0.374	S	S	*	.			trans	-99	112.7	-176.6	42.2	0	0	0	0	110.4
74	V	54.7	Low	66.3	Low	25 Å²	25	72.1 Å²	72.1	15%	0.152	35%	0.354	C	S	.	.			trans	-138.8	88.5	176.4	-150.8	0	0	0	0	112	Y67 L68 S77	Y67-V74 HydrophobicContact CE1-CG1 4.14Å; Y67-V74 HydrophobicContact CE1-CG2 4.26Å; L68-V74 HydrophobicContact CD2-CG2 3.93Å; V74-S77 WeakPolarHBondContact CB-OG 3.15Å; V74-S77 WeakPolarHBondContact CG1-OG 3.33Å; V74-S77 PolarHBondContact O-OG 3.15Å
75	N	53.4	Low	64.5	Low	158 Å²	158	76.9 Å²	76.9	85%	0.845	38%	0.376	S	S	*	.	S	Bend	trans	-82.2	-20.6	175	-81.8	-7.7	0	0	0	113.8
76	H	46.2	Very low	62.4	Low	174 Å²	174	79.9 Å²	79.9	81%	0.806	39%	0.391	S	S	*	.	S	Bend	trans	-107.5	20.2	-174.1	-74.7	-12.3	0	0	0	115.5
77	S	51	Low	60.5	Low	2 Å²	2	80.3 Å²	80.3	1%	0.014	40%	0.395	C	S	.	.			trans	-106.8	-4.9	-169.5	59	0	0	0	0	116.8	V74 E79 I80 F81	V74-S77 WeakPolarHBondContact CB-OG 3.15Å; V74-S77 WeakPolarHBondContact CG1-OG 3.33Å; V74-S77 PolarHBondContact O-OG 3.15Å; S77-E79 VanDerWaalsContact C-N 3.3Å; S77-E79 PolarHBondContact O-N 3.45Å; S77-I80 PolarHBondContact O-N 2.85Å; S77-F81 VanDerWaalsContact CB-CZ 3.47Å; S77-F81 WeakPolarHBondContact O-CD2 3.33Å; S77-F81 WeakPolarHBondContact O-CE2 3.33Å; S77-F81 WeakPolarHBondContact O-CG 3.35Å; S77-F81 PolarHBondContact O-N 3.19Å; S77-F81 WeakPolarHBondContact OG-CE2 3.4Å
78	H	50	Low	59	Low	131 Å²	131	78.4 Å²	78.4	61%	0.606	39%	0.387	S	S	*	.	H	α-helix	trans	-58.3	-42.1	179.6	-88.9	-88.8	0	0	0	112.4	K367	H78-K367 PolarHBondContact NE2-NZ 3.02Å; H78-K367 VanDerWaalsContact NE2-NZ 3.15Å
79	E	48.6	Very low	57.5	Low	180 Å²	180	83 Å²	83	84%	0.841	41%	0.412	S	S	*	.	H	α-helix	trans	-73.5	-26.1	178.8	-65.1	179	179	0	0	113.8	S77	S77-E79 VanDerWaalsContact C-N 3.3Å; S77-E79 PolarHBondContact O-N 3.45Å
80	I	50.2	Low	55.9	Low	34 Å²	34	87.5 Å²	87.5	17%	0.174	44%	0.437	C	S	.	.	H	α-helix	trans	-71.2	-35.4	-177.4	-66.3	177.3	0	0	0	110.9	I44 Y59 S77 S83	I44-I80 HydrophobicContact CD1-CD1 4.33Å; Y59-I80 HydrophobicContact CD2-CB 4.41Å; Y59-I80 HydrophobicContact CD2-CG2 3.59Å; Y59-I80 HydrophobicContact CE2-CB 4.05Å; Y59-I80 HydrophobicContact CE2-CG1 4.04Å; Y59-I80 HydrophobicContact CE2-CG2 3.64Å; Y59-I80 HydrophobicContact CG-CG2 4.14Å; S77-I80 PolarHBondContact O-N 2.85Å; I80-S83 PolarHBondContact O-OG 3.15Å
81	F	50.8	Low	54.6	Low	28 Å²	28	80 Å²	80	12%	0.123	42%	0.419	C	S	.	.	H	α-helix	trans	-89.5	-29.8	-164.8	-62	-46.3	0	0	0	116.2	V64 L68 S77 S83 N84 K367 I391	V64-F81 HydrophobicContact CG1-CD1 4Å; V64-F81 HydrophobicContact CG1-CE1 3.48Å; V64-F81 VanDerWaalsContact CG1-CE1 3.48Å; L68-F81 HydrophobicContact CD1-CE1 3.7Å; L68-F81 HydrophobicContact CD1-CZ 3.67Å; L68-F81 HydrophobicContact CD2-CE1 4.44Å; L68-F81 HydrophobicContact CD2-CZ 3.67Å; L68-F81 HydrophobicContact CG-CE1 4.4Å; L68-F81 HydrophobicContact CG-CZ 4.1Å; S77-F81 VanDerWaalsContact CB-CZ 3.47Å; S77-F81 WeakPolarHBondContact O-CD2 3.33Å; S77-F81 WeakPolarHBondContact O-CE2 3.33Å; S77-F81 WeakPolarHBondContact O-CG 3.35Å; S77-F81 PolarHBondContact O-N 3.19Å; S77-F81 WeakPolarHBondContact OG-CE2 3.4Å; F81-S83 PolarHBondContact O-N 2.87Å; F81-N84 PolarHBondContact O-N 3.03Å; F81-K367 HydrophobicContact CE2-CD 4.19Å; F81-I391 HydrophobicContact CB-CB 4.47Å; F81-I391 HydrophobicContact CD1-CB 4.24Å; F81-I391 HydrophobicContact CD1-CD1 3.96Å; F81-I391 HydrophobicContact CD1-CG1 3.62Å; F81-I391 HydrophobicContact CD1-CG2 4.48Å; F81-I391 HydrophobicContact CD2-CG2 4.27Å; F81-I391 HydrophobicContact CE1-CD1 4.36Å; F81-I391 HydrophobicContact CE1-CG1 3.86Å; F81-I391 HydrophobicContact CG-CB 4.29Å; F81-I391 HydrophobicContact CG-CG1 4.16Å; F81-I391 HydrophobicContact CG-CG2 4.23Å; F81-I391 HydrophobicContact CZ-CG1 4.5Å
82	E	48.3	Very low	54.1	Low	152 Å²	152	80.6 Å²	80.6	71%	0.71	42%	0.419	S	S	*	.	H	α-helix	trans	-61.2	-32.6	177.4	-71.8	-175.6	171.1	0	0	111.3	N84 Q85	E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 3.33Å; E82-Q85 PolarHBondContact O-N 3.23Å
83	S	46.6	Very low	54.7	Low	19 Å²	19	77.4 Å²	77.4	13%	0.133	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-63.9	-25.7	179.1	72.8	0	0	0	0	115.1	K57 I80 F81	K57-S83 WeakPolarHBondContact O-CB 3.47Å; K57-S83 PolarHBondContact O-OG 3.06Å; K57-S83 VanDerWaalsContact O-OG 3.06Å; I80-S83 PolarHBondContact O-OG 3.15Å; F81-S83 PolarHBondContact O-N 2.87Å
84	N	48.5	Very low	55.9	Low	1 Å²	1	75.4 Å²	75.4	1%	0.005	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-84.7	-15.8	-176.2	-82.5	-21.4	0	0	0	114	Y59 F81 E82 L86 L87	Y59-N84 PolarHBondContact N-OD1 3.27Å; Y59-N84 PolarHBondContact O-OD1 3.37Å; F81-N84 PolarHBondContact O-N 3.03Å; E82-N84 VanDerWaalsContact C-N 3.29Å; E82-N84 PolarHBondContact O-N 3.33Å; N84-L86 PolarHBondContact O-N 3.18Å; N84-L87 PolarHBondContact O-N 3.28Å
85	Q	48.8	Very low	57.7	Low	109 Å²	109	74.6 Å²	74.6	51%	0.509	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-55.5	-22.6	175.8	-78.2	-178.1	-20.5	0	0	112.8	E82 L87 W88 P390	E82-Q85 PolarHBondContact O-N 3.23Å; Q85-L87 PolarHBondContact O-N 3.16Å; Q85-L87 VanDerWaalsContact O-N 3.14Å; Q85-W88 PolarHBondContact O-N 2.87Å; Q85-W88 VanDerWaalsContact O-N 3.15Å; Q85-P390 HydrophobicContact CG-CG 4.29Å
86	L	46.6	Very low	59.5	Low	62 Å²	62	70 Å²	70	33%	0.325	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-63.7	-11.3	175.1	-67.4	165.2	0	0	0	114.7	I56 R58 N84 W88	I56-L86 HydrophobicContact CD1-CD1 3.84Å; I56-L86 HydrophobicContact CG2-CD1 3.7Å; R58-L86 PolarHBondContact NH2-O 3.48Å; N84-L86 PolarHBondContact O-N 3.18Å; L86-W88 PolarHBondContact O-N 2.86Å
87	L	52.4	Low	61.8	Low	69 Å²	69	64.7 Å²	64.7	36%	0.361	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64	-25.9	171.3	-80	161.2	0	0	0	112.1	I61 N84 Q85	I61-L87 HydrophobicContact CB-CD1 3.94Å; I61-L87 HydrophobicContact CG1-CD1 4.41Å; I61-L87 HydrophobicContact CG2-CD1 4.28Å; N84-L87 PolarHBondContact O-N 3.28Å; Q85-L87 PolarHBondContact O-N 3.16Å; Q85-L87 VanDerWaalsContact O-N 3.14Å
88	W	58.2	Low	63.8	Low	39 Å²	39	69.5 Å²	69.5	15%	0.148	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-124.3	51.9	-171.8	-61.2	109.9	0	0	0	110.8	Q85 L86 F92 F93 F104 R138 R141 E397	Q85-W88 PolarHBondContact O-N 2.87Å; Q85-W88 VanDerWaalsContact O-N 3.15Å; L86-W88 PolarHBondContact O-N 2.86Å; W88-F92 AromaticContact CE3-CD1 3.4Å; W88-F92 HydrophobicContact CE3-CD1 3.4Å; W88-F92 VanDerWaalsContact CE3-CD1 3.4Å; W88-F92 AromaticContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CG 4.35Å; W88-F92 HydrophobicContact CH2-CE1 4.15Å; W88-F92 AromaticContact CZ3-CD1 3.44Å; W88-F92 HydrophobicContact CZ3-CD1 3.44Å; W88-F92 VanDerWaalsContact CZ3-CD1 3.44Å; W88-F92 AromaticContact CZ3-CE1 3.24Å; W88-F92 HydrophobicContact CZ3-CE1 3.24Å; W88-F92 HydrophobicContact CZ3-CZ 4.37Å; W88-F93 HydrophobicContact CB-CE2 3.83Å; W88-F93 HydrophobicContact CB-CZ 4.05Å; W88-F93 HydrophobicContact CD2-CZ 4.03Å; W88-F93 HydrophobicContact CE3-CE1 4.05Å; W88-F93 AromaticContact CE3-CE2 3.99Å; W88-F93 HydrophobicContact CE3-CE2 3.99Å; W88-F93 AromaticContact CE3-CZ 3.38Å; W88-F93 HydrophobicContact CE3-CZ 3.38Å; W88-F93 HydrophobicContact CG-CZ 4.33Å; W88-F93 HydrophobicContact CZ3-CE1 4.24Å; W88-F93 HydrophobicContact CZ3-CZ 4.02Å; W88-F104 HydrophobicContact CZ3-CD2 4.38Å; W88-F104 AromaticContact CZ3-CE2 3.82Å; W88-F104 HydrophobicContact CZ3-CE2 3.82Å; W88-R138 HydrophobicContact CH2-CG 4.38Å; W88-R138 HydrophobicContact CZ3-CG 4.41Å; W88-R141 VanDerWaalsContact CH2-NH1 3.25Å; W88-E397 WeakPolarHBondContact CH2-OE1 3.48Å; W88-E397 VanDerWaalsContact CZ2-OE1 3.31Å; W88-E397 WeakPolarHBondContact CZ2-OE1 3.27Å
89	N	57.8	Low	65.7	Low	98 Å²	98	71.1 Å²	71.1	52%	0.524	37%	0.366	S	S	.	.			trans	-52.6	143.1	170	-80.7	-5.2	0	0	0	109.7	G91 F92	N89-G91 PolarHBondContact O-N 3.39Å; N89-F92 VanDerWaalsContact O-CB 3.23Å; N89-F92 WeakPolarHBondContact O-CB 3.3Å; N89-F92 PolarHBondContact O-N 3.13Å
90	D	59.6	Low	67.8	Low	118 Å²	118	67.3 Å²	67.3	63%	0.631	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.9	-31.4	-176.3	-69	-27.8	0	0	0	113.1	F92 F93 K134	D90-F92 PolarHBondContact O-N 2.05Å; D90-F93 PolarHBondContact O-N 2.9Å; D90-F93 VanDerWaalsContact O-N 3.17Å; D90-K134 WeakPolarHBondContact OD1-CE 3.42Å; D90-K134 IonicContact OD1-NZ 2.93Å; D90-K134 PolarHBondContact OD1-NZ 3.27Å
91	G	62.8	Low	69.8	Low	33 Å²	33	66 Å²	66	34%	0.34	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.8	174.2	0	0	0	0	0	114.6	N89 F93 N94 R100	N89-G91 PolarHBondContact O-N 3.39Å; G91-F93 PolarHBondContact O-N 3.16Å; G91-N94 PolarHBondContact O-N 3.37Å; G91-R100 VanDerWaalsContact O-CD 3.31Å; G91-R100 WeakPolarHBondContact O-CD 3.07Å; G91-R100 PolarHBondContact O-NH1 2.86Å
92	F	72.1	Confident	71.8	Confident	63 Å²	63	69.5 Å²	69.5	28%	0.276	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.8	179.4	-163.5	-101.1	0	0	0	112.7	W88 N89 D90 F104	W88-F92 AromaticContact CE3-CD1 3.4Å; W88-F92 HydrophobicContact CE3-CD1 3.4Å; W88-F92 VanDerWaalsContact CE3-CD1 3.4Å; W88-F92 AromaticContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CG 4.35Å; W88-F92 HydrophobicContact CH2-CE1 4.15Å; W88-F92 AromaticContact CZ3-CD1 3.44Å; W88-F92 HydrophobicContact CZ3-CD1 3.44Å; W88-F92 VanDerWaalsContact CZ3-CD1 3.44Å; W88-F92 AromaticContact CZ3-CE1 3.24Å; W88-F92 HydrophobicContact CZ3-CE1 3.24Å; W88-F92 HydrophobicContact CZ3-CZ 4.37Å; N89-F92 VanDerWaalsContact O-CB 3.23Å; N89-F92 WeakPolarHBondContact O-CB 3.3Å; N89-F92 PolarHBondContact O-N 3.13Å; D90-F92 PolarHBondContact O-N 2.05Å; F92-F104 AromaticContact CD1-CD2 3.52Å; F92-F104 HydrophobicContact CD1-CD2 3.52Å; F92-F104 AromaticContact CD1-CE2 3.96Å; F92-F104 HydrophobicContact CD1-CE2 3.96Å; F92-F104 HydrophobicContact CE1-CB 4.27Å; F92-F104 AromaticContact CE1-CD2 3.22Å; F92-F104 HydrophobicContact CE1-CD2 3.22Å; F92-F104 AromaticContact CE1-CE2 3.82Å; F92-F104 HydrophobicContact CE1-CE2 3.82Å; F92-F104 HydrophobicContact CE1-CG 4.1Å; F92-F104 HydrophobicContact CZ-CB 4.45Å; F92-F104 HydrophobicContact CZ-CD2 4.17Å
93	F	82.1	Confident	73.8	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.075	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-93.2	3.2	-178.5	-62.6	-82.9	0	0	0	114	W88 D90 G91 L95 F104 K134 R138	W88-F93 HydrophobicContact CB-CE2 3.83Å; W88-F93 HydrophobicContact CB-CZ 4.05Å; W88-F93 HydrophobicContact CD2-CZ 4.03Å; W88-F93 HydrophobicContact CE3-CE1 4.05Å; W88-F93 AromaticContact CE3-CE2 3.99Å; W88-F93 HydrophobicContact CE3-CE2 3.99Å; W88-F93 AromaticContact CE3-CZ 3.38Å; W88-F93 HydrophobicContact CE3-CZ 3.38Å; W88-F93 HydrophobicContact CG-CZ 4.33Å; W88-F93 HydrophobicContact CZ3-CE1 4.24Å; W88-F93 HydrophobicContact CZ3-CZ 4.02Å; D90-F93 PolarHBondContact O-N 2.9Å; D90-F93 VanDerWaalsContact O-N 3.17Å; G91-F93 PolarHBondContact O-N 3.16Å; F93-L95 PolarHBondContact O-N 3.4Å; F93-F104 AromaticContact CD1-CE2 3.91Å; F93-F104 HydrophobicContact CD1-CE2 3.91Å; F93-F104 AromaticContact CE1-CE2 3.8Å; F93-F104 HydrophobicContact CE1-CE2 3.8Å; F93-F104 HydrophobicContact CE1-CZ 4.4Å; F93-K134 HydrophobicContact CD1-CB 4.14Å; F93-K134 HydrophobicContact CD1-CG 4.01Å; F93-K134 HydrophobicContact CD2-CD 3.82Å; F93-K134 HydrophobicContact CD2-CG 3.81Å; F93-K134 HydrophobicContact CE1-CB 3.81Å; F93-K134 HydrophobicContact CE1-CG 4.02Å; F93-K134 HydrophobicContact CE2-CB 4.33Å; F93-K134 HydrophobicContact CE2-CD 3.53Å; F93-K134 HydrophobicContact CE2-CG 3.82Å; F93-K134 HydrophobicContact CG-CD 4.42Å; F93-K134 HydrophobicContact CG-CG 3.9Å; F93-K134 HydrophobicContact CZ-CB 3.91Å; F93-K134 HydrophobicContact CZ-CD 3.91Å; F93-K134 HydrophobicContact CZ-CG 3.93Å; F93-R138 HydrophobicContact CE1-CG 3.95Å; F93-R138 HydrophobicContact CZ-CG 4.45Å
94	N	85.4	Confident	75.9	Confident	71 Å²	71	65.3 Å²	65.3	38%	0.38	33%	0.332	S	S	.	.			trans	-76.1	77	170.9	-174	6.7	0	0	0	110.6	G91 S96 N97	G91-N94 PolarHBondContact O-N 3.37Å; N94-S96 PolarHBondContact O-N 3.27Å; N94-S96 PolarHBondContact OD1-N 3.42Å; N94-S96 PolarHBondContact OD1-OG 2.93Å; N94-N97 PolarHBondContact O-N 3.03Å
95	L	91.4	Very high	78	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.042	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-0.5	-176.6	-57	-172	0	0	0	113.9	F93 F104 C172	F93-L95 PolarHBondContact O-N 3.4Å; L95-F104 HydrophobicContact CD1-CD1 4.03Å; L95-F104 HydrophobicContact CD1-CE1 4.13Å; L95-F104 HydrophobicContact CD1-CG 4.34Å; L95-F104 HydrophobicContact CD2-CB 3.57Å; L95-F104 HydrophobicContact CD2-CD1 4.02Å; L95-F104 HydrophobicContact CD2-CD2 3.8Å; L95-F104 HydrophobicContact CD2-CG 3.53Å; L95-C172 HydrophobicContact CB-CB 4.05Å
96	S	92.2	Very high	79.9	Confident	63 Å²	63	64.7 Å²	64.7	44%	0.441	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.6	168.4	73.1	0	0	0	0	112.3	N94 P98	N94-S96 PolarHBondContact O-N 3.27Å; N94-S96 PolarHBondContact OD1-N 3.42Å; N94-S96 PolarHBondContact OD1-OG 2.93Å; S96-P98 WeakPolarHBondContact O-CD 3.25Å
97	N	93.5	Very high	81.5	Confident	62 Å²	62	62 Å²	62	33%	0.332	32%	0.315	S	S	.	.	S	Bend	trans	-82.4	119.9	175.8	179.3	-64.8	0	0	0	110	N94 Y99 R100 C101	N94-N97 PolarHBondContact O-N 3.03Å; N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 3.11Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.46Å; N97-Y99 PolarHBondContact OD1-N 3.33Å; N97-R100 HydrophobicContact CB-CB 4.1Å; N97-R100 HydrophobicContact CB-CG 4.1Å; N97-R100 PolarHBondContact O-N 3.06Å; N97-R100 VanDerWaalsContact O-N 3.16Å; N97-R100 PolarHBondContact OD1-N 3.02Å; N97-C101 WeakPolarHBondContact O-CB 3.2Å; N97-C101 PolarHBondContact O-N 3.36Å
98	P	93	Very high	82.7	Confident	102 Å²	102	64.6 Å²	64.6	66%	0.662	32%	0.322	S	S	*	.	H	α-helix	trans	-58.2	-39.7	-176.5	-27.4	35.5	0	0	0	114.3	S96 C101 E102	S96-P98 WeakPolarHBondContact O-CD 3.25Å; P98-C101 WeakPolarHBondContact O-CB 3.49Å; P98-C101 PolarHBondContact O-N 2.81Å; P98-E102 PolarHBondContact O-N 3.1Å
99	Y	91.6	Very high	83.9	Confident	165 Å²	165	65.5 Å²	65.5	65%	0.647	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-44.9	177.8	174.2	-96.1	0	0	0	111.6	N97 C101 E102 Q103	N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 3.11Å; N97-Y99 WeakPolarHBondContact OD1-CB 3.46Å; N97-Y99 PolarHBondContact OD1-N 3.33Å; Y99-C101 VanDerWaalsContact C-N 3.32Å; Y99-C101 PolarHBondContact O-N 3.06Å; Y99-E102 PolarHBondContact O-N 3.13Å; Y99-Q103 HydrophobicContact CD1-CG 4.41Å; Y99-Q103 HydrophobicContact CE1-CG 3.99Å; Y99-Q103 HydrophobicContact CE2-CG 4.33Å; Y99-Q103 WeakPolarHBondContact O-CG 3.34Å; Y99-Q103 PolarHBondContact O-N 3.44Å; Y99-Q103 VanDerWaalsContact O-N 3.08Å
100	R	91.2	Very high	85.2	Confident	100 Å²	100	64.8 Å²	64.8	38%	0.377	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-37.3	176.7	-66.2	-171.4	178.3	175.6	4.9	111.8	G91 N97 Q103 F104	G91-R100 VanDerWaalsContact O-CD 3.31Å; G91-R100 WeakPolarHBondContact O-CD 3.07Å; G91-R100 PolarHBondContact O-NH1 2.86Å; N97-R100 HydrophobicContact CB-CB 4.1Å; N97-R100 HydrophobicContact CB-CG 4.1Å; N97-R100 PolarHBondContact O-N 3.06Å; N97-R100 VanDerWaalsContact O-N 3.16Å; N97-R100 PolarHBondContact OD1-N 3.02Å; R100-Q103 PolarHBondContact O-N 3.2Å; R100-F104 VanDerWaalsContact O-CB 3.26Å; R100-F104 WeakPolarHBondContact O-CB 3.31Å; R100-F104 PolarHBondContact O-N 3.08Å
101	C	93.8	Very high	86.5	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-57.7	-50.3	173.5	170.7	0	0	0	0	111.9	N97 P98 Y99 Q103 F104 K105 C172	N97-C101 WeakPolarHBondContact O-CB 3.2Å; N97-C101 PolarHBondContact O-N 3.36Å; P98-C101 WeakPolarHBondContact O-CB 3.49Å; P98-C101 PolarHBondContact O-N 2.81Å; Y99-C101 VanDerWaalsContact C-N 3.32Å; Y99-C101 PolarHBondContact O-N 3.06Å; C101-Q103 PolarHBondContact O-N 3.15Å; C101-F104 WeakPolarHBondContact O-CB 3.02Å; C101-F104 PolarHBondContact O-N 3.31Å; C101-K105 WeakPolarHBondContact O-CG 3.45Å; C101-K105 PolarHBondContact O-N 3.48Å; C101-K105 VanDerWaalsContact O-N 3.13Å; C101-C172 WeakPolarHBondContact CA-SG 3.21Å; C101-C172 HydrophobicContact CB-CB 3.86Å; C101-C172 WeakPolarHBondContact CB-SG 3.23Å; C101-C172 VanDerWaalsContact SG-C 3.51Å; C101-C172 WeakPolarHBondContact SG-CA 3.35Å; C101-C172 WeakPolarHBondContact SG-CB 3.5Å; C101-C172 PolarHBondContact SG-O 3.39Å; C101-C172 CovalentContact SG-SG 2.02Å; C101-C172 PolarHBondContact SG-SG 2.72Å
102	E	92.2	Very high	87.7	Confident	102 Å²	102	62.9 Å²	62.9	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-44.9	177.9	-68.9	-50.3	136.5	0	0	111.8	P98 Y99 F104 K105 L106	P98-E102 PolarHBondContact O-N 3.1Å; Y99-E102 PolarHBondContact O-N 3.13Å; E102-F104 VanDerWaalsContact C-N 3.31Å; E102-F104 PolarHBondContact O-N 3.4Å; E102-K105 VanDerWaalsContact CD-NZ 3.26Å; E102-K105 PolarHBondContact O-N 3.34Å; E102-K105 WeakPolarHBondContact OE1-CE 3.37Å; E102-K105 IonicContact OE1-NZ 2.73Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; E102-K105 WeakPolarHBondContact OE2-CE 3.04Å; E102-K105 IonicContact OE2-NZ 2.73Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å; E102-K105 VanDerWaalsContact OE2-NZ 3.14Å; E102-L106 WeakPolarHBondContact O-CG 3.43Å
103	Q	89.7	Confident	88.4	Confident	83 Å²	83	64.5 Å²	64.5	39%	0.388	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-37.8	176.7	-66.9	-58.2	-46.8	0	0	112.8	Y99 R100 C101 K105 L106	Y99-Q103 HydrophobicContact CD1-CG 4.41Å; Y99-Q103 HydrophobicContact CE1-CG 3.99Å; Y99-Q103 HydrophobicContact CE2-CG 4.33Å; Y99-Q103 WeakPolarHBondContact O-CG 3.34Å; Y99-Q103 PolarHBondContact O-N 3.44Å; Y99-Q103 VanDerWaalsContact O-N 3.08Å; R100-Q103 PolarHBondContact O-N 3.2Å; C101-Q103 PolarHBondContact O-N 3.15Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 2.75Å; Q103-L106 PolarHBondContact O-N 2.81Å
104	F	91.5	Very high	88.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-38.6	178.4	-175.4	-92	0	0	0	112	W88 F92 F93 L95 R100 C101 E102 L106 S137 R138 R141 F173	W88-F104 HydrophobicContact CZ3-CD2 4.38Å; W88-F104 AromaticContact CZ3-CE2 3.82Å; W88-F104 HydrophobicContact CZ3-CE2 3.82Å; F92-F104 AromaticContact CD1-CD2 3.52Å; F92-F104 HydrophobicContact CD1-CD2 3.52Å; F92-F104 AromaticContact CD1-CE2 3.96Å; F92-F104 HydrophobicContact CD1-CE2 3.96Å; F92-F104 HydrophobicContact CE1-CB 4.27Å; F92-F104 AromaticContact CE1-CD2 3.22Å; F92-F104 HydrophobicContact CE1-CD2 3.22Å; F92-F104 AromaticContact CE1-CE2 3.82Å; F92-F104 HydrophobicContact CE1-CE2 3.82Å; F92-F104 HydrophobicContact CE1-CG 4.1Å; F92-F104 HydrophobicContact CZ-CB 4.45Å; F92-F104 HydrophobicContact CZ-CD2 4.17Å; F93-F104 AromaticContact CD1-CE2 3.91Å; F93-F104 HydrophobicContact CD1-CE2 3.91Å; F93-F104 AromaticContact CE1-CE2 3.8Å; F93-F104 HydrophobicContact CE1-CE2 3.8Å; F93-F104 HydrophobicContact CE1-CZ 4.4Å; L95-F104 HydrophobicContact CD1-CD1 4.03Å; L95-F104 HydrophobicContact CD1-CE1 4.13Å; L95-F104 HydrophobicContact CD1-CG 4.34Å; L95-F104 HydrophobicContact CD2-CB 3.57Å; L95-F104 HydrophobicContact CD2-CD1 4.02Å; L95-F104 HydrophobicContact CD2-CD2 3.8Å; L95-F104 HydrophobicContact CD2-CG 3.53Å; R100-F104 VanDerWaalsContact O-CB 3.26Å; R100-F104 WeakPolarHBondContact O-CB 3.31Å; R100-F104 PolarHBondContact O-N 3.08Å; C101-F104 WeakPolarHBondContact O-CB 3.02Å; C101-F104 PolarHBondContact O-N 3.31Å; E102-F104 VanDerWaalsContact C-N 3.31Å; E102-F104 PolarHBondContact O-N 3.4Å; F104-L106 VanDerWaalsContact C-N 3.3Å; F104-L106 PolarHBondContact O-N 3.02Å; F104-S137 VanDerWaalsContact CE1-O 3.29Å; F104-S137 WeakPolarHBondContact CE1-O 3.42Å; F104-S137 VanDerWaalsContact CZ-C 3.5Å; F104-S137 WeakPolarHBondContact CZ-O 3.45Å; F104-R138 HydrophobicContact CZ-CG 4.39Å; F104-R141 HydrophobicContact CD1-CG 4.08Å; F104-R141 HydrophobicContact CE1-CB 3.77Å; F104-R141 HydrophobicContact CE1-CG 3.71Å; F104-R141 HydrophobicContact CZ-CB 4.27Å; F104-R141 HydrophobicContact CZ-CG 4.32Å; F104-R141 WeakPolarHBondContact O-CD 3.23Å; F104-R141 PolarHBondContact O-NE 2.72Å; F104-F173 HydrophobicContact CD1-CE2 4.35Å; F104-F173 HydrophobicContact CD1-CZ 4Å; F104-F173 HydrophobicContact CE1-CE2 4.1Å; F104-F173 AromaticContact CE1-CZ 3.84Å; F104-F173 HydrophobicContact CE1-CZ 3.84Å
105	K	91.8	Very high	88.6	Confident	52 Å²	52	65 Å²	65	23%	0.226	34%	0.341	C	S	.	.	H	α-helix	trans	-69.1	-24.3	-178.7	-70.8	-177	-63.7	-173	0	113.8	C101 E102 Q103 C172 F173	C101-K105 WeakPolarHBondContact O-CG 3.45Å; C101-K105 PolarHBondContact O-N 3.48Å; C101-K105 VanDerWaalsContact O-N 3.13Å; E102-K105 VanDerWaalsContact CD-NZ 3.26Å; E102-K105 PolarHBondContact O-N 3.34Å; E102-K105 WeakPolarHBondContact OE1-CE 3.37Å; E102-K105 IonicContact OE1-NZ 2.73Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; E102-K105 WeakPolarHBondContact OE2-CE 3.04Å; E102-K105 IonicContact OE2-NZ 2.73Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å; E102-K105 VanDerWaalsContact OE2-NZ 3.14Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 2.75Å; K105-C172 PolarHBondContact NZ-O 3.07Å; K105-F173 HydrophobicContact CD-CD1 4.18Å; K105-F173 HydrophobicContact CD-CE1 4.37Å; K105-F173 HydrophobicContact CG-CD1 4.13Å; K105-F173 HydrophobicContact CG-CE1 3.82Å; K105-F173 HydrophobicContact CG-CZ 4.35Å
106	L	88.8	Confident	88.8	Confident	45 Å²	45	71.8 Å²	71.8	24%	0.236	37%	0.37	C	S	.	.			trans	-76	136.9	-176.6	-63.4	175	0	0	0	112.6	E102 Q103 F104 H110 R141	E102-L106 WeakPolarHBondContact O-CG 3.43Å; Q103-L106 PolarHBondContact O-N 2.81Å; F104-L106 VanDerWaalsContact C-N 3.3Å; F104-L106 PolarHBondContact O-N 3.02Å; L106-H110 CarbonylContact C-O 3.58Å; L106-H110 WeakPolarHBondContact CA-O 3.02Å; L106-R141 PolarHBondContact O-NH2 3.11Å
107	F	81.1	Confident	89	Confident	5 Å²	5	71.3 Å²	71.3	2%	0.022	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-99.8	107.2	170.6	-53.9	-39.1	0	0	0	111.2	G109 H110 V112 R141 M401 V404 I405	F107-G109 PolarHBondContact O-N 3.5Å; F107-G109 VanDerWaalsContact O-N 3.07Å; F107-H110 PolarHBondContact N-O 3.1Å; F107-H110 WeakPolarHBondContact O-CB 3.27Å; F107-H110 PolarHBondContact O-N 2.89Å; F107-H110 PolarHBondContact O-ND1 3.28Å; F107-V112 HydrophobicContact CD2-CG2 3.69Å; F107-V112 HydrophobicContact CE2-CG2 3.04Å; F107-V112 HydrophobicContact CZ-CG2 3.81Å; F107-R141 HydrophobicContact CE1-CG 3.65Å; F107-R141 HydrophobicContact CZ-CG 4.32Å; F107-R141 VanDerWaalsContact CZ-O 3.3Å; F107-R141 WeakPolarHBondContact CZ-O 3.43Å; F107-M401 HydrophobicContact CB-SD 4.3Å; F107-M401 HydrophobicContact CD1-CE 3.76Å; F107-M401 HydrophobicContact CD1-CG 4.22Å; F107-M401 HydrophobicContact CD1-SD 3.22Å; F107-M401 WeakPolarHBondContact CD1-SD 3.3Å; F107-M401 HydrophobicContact CD2-CE 4.32Å; F107-M401 HydrophobicContact CD2-SD 3.3Å; F107-M401 WeakPolarHBondContact CD2-SD 3.42Å; F107-M401 HydrophobicContact CE1-CE 3.07Å; F107-M401 HydrophobicContact CE1-CG 4.45Å; F107-M401 HydrophobicContact CE1-SD 3.17Å; F107-M401 WeakPolarHBondContact CE1-SD 3.25Å; F107-M401 HydrophobicContact CE2-CE 3.67Å; F107-M401 HydrophobicContact CE2-SD 3.18Å; F107-M401 WeakPolarHBondContact CE2-SD 3.43Å; F107-M401 HydrophobicContact CG-CE 4.37Å; F107-M401 HydrophobicContact CG-CG 4.45Å; F107-M401 HydrophobicContact CG-SD 3.34Å; F107-M401 WeakPolarHBondContact CG-SD 3.36Å; F107-M401 HydrophobicContact CZ-CE 3.1Å; F107-M401 HydrophobicContact CZ-SD 3.23Å; F107-M401 WeakPolarHBondContact CZ-SD 3.21Å; F107-V404 HydrophobicContact CE2-CG1 4.47Å; F107-I405 HydrophobicContact CB-CD1 3.98Å; F107-I405 HydrophobicContact CB-CG1 4.41Å
108	Y	77.4	Confident	89.1	Confident	125 Å²	125	68.7 Å²	68.7	49%	0.49	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	38	-175.8	-57.8	-70.8	0	0	0	111.9	I61 H110 Y398 I405	I61-Y108 HydrophobicContact CG2-CE1 4.38Å; Y108-H110 PolarHBondContact O-ND1 3.03Å; Y108-H110 VanDerWaalsContact O-ND1 3.15Å; Y108-Y398 HydrophobicContact CE2-CD2 4.12Å; Y108-Y398 HydrophobicContact CE2-CE2 4.44Å; Y108-Y398 AromaticContact CZ-CD2 3.97Å; Y108-Y398 VanDerWaalsContact OH-CD2 3.25Å; Y108-Y398 WeakPolarHBondContact OH-CD2 3.38Å; Y108-I405 HydrophobicContact CD2-CD1 3.87Å
109	G	82.5	Confident	89.3	Confident	58 Å²	58	69 Å²	69	60%	0.598	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-3.1	-176.3	0	0	0	0	0	116.4	F107	F107-G109 PolarHBondContact O-N 3.5Å; F107-G109 VanDerWaalsContact O-N 3.07Å
110	H	85.1	Confident	89.6	Confident	82 Å²	82	67.6 Å²	67.6	38%	0.38	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-99.3	131.7	-178.5	-57.9	79.3	0	0	0	111.6	L106 F107 Y108	L106-H110 CarbonylContact C-O 3.58Å; L106-H110 WeakPolarHBondContact CA-O 3.02Å; F107-H110 PolarHBondContact N-O 3.1Å; F107-H110 WeakPolarHBondContact O-CB 3.27Å; F107-H110 PolarHBondContact O-N 2.89Å; F107-H110 PolarHBondContact O-ND1 3.28Å; Y108-H110 PolarHBondContact O-ND1 3.03Å; Y108-H110 VanDerWaalsContact O-ND1 3.15Å
111	S	87.6	Confident	89.9	Confident	69 Å²	69	64.4 Å²	64.4	48%	0.483	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-75.3	151.3	162.9	55.5	0	0	0	0	110	N113 M408	S111-N113 PolarHBondContact O-N 2.77Å; S111-M408 WeakPolarHBondContact O-CE 3.35Å
112	V	88.6	Confident	90.1	Very high	43 Å²	43	65 Å²	65	26%	0.261	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-75.6	124.4	172.2	-178.1	0	0	0	0	110.2	F107 V404 M408	F107-V112 HydrophobicContact CD2-CG2 3.69Å; F107-V112 HydrophobicContact CE2-CG2 3.04Å; F107-V112 HydrophobicContact CZ-CG2 3.81Å; V112-V404 HydrophobicContact CG1-CG1 4.37Å; V112-V404 HydrophobicContact CG2-CG1 4.39Å; V112-M408 HydrophobicContact CG1-SD 4.41Å
113	N	85.2	Confident	90.4	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-94.5	147	173.7	-66.4	-16.4	0	0	0	109.8	S111 M408	S111-N113 PolarHBondContact O-N 2.77Å; N113-M408 HydrophobicContact CB-CE 3.64Å; N113-M408 HydrophobicContact CB-CG 4.44Å; N113-M408 HydrophobicContact CB-SD 4.39Å; N113-M408 VanDerWaalsContact N-CE 3.31Å; N113-M408 PolarHBondContact N-SD 3.15Å; N113-M408 VanDerWaalsContact N-SD 3.42Å
114	L	83.1	Confident	90.9	Very high	81 Å²	81	56.2 Å²	56.2	42%	0.424	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-77.4	133.6	179	-57.4	177.8	0	0	0	110.2	P146	L114-P146 HydrophobicContact CD2-CG 4.34Å
115	S	90.3	Very high	91.2	Very high	18 Å²	18	56.2 Å²	56.2	13%	0.126	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-85	147.4	157.4	74.5	0	0	0	0	110.1	E117 E118 E119	S115-E117 PolarHBondContact O-N 3.46Å; S115-E118 VanDerWaalsContact CB-OE2 3.3Å; S115-E118 WeakPolarHBondContact CB-OE2 3.41Å; S115-E118 PolarHBondContact N-OE2 3.19Å; S115-E118 VanDerWaalsContact N-OE2 3.12Å; S115-E118 PolarHBondContact O-N 2.83Å; S115-E118 WeakPolarHBondContact OG-CB 3.2Å; S115-E118 VanDerWaalsContact OG-CD 3.27Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 2.57Å; S115-E118 PolarHBondContact OG-OE2 3.15Å; S115-E119 PolarHBondContact O-N 3.29Å; S115-E119 VanDerWaalsContact O-N 3.13Å
116	K	94	Very high	91.5	Very high	150 Å²	150	53.9 Å²	53.9	65%	0.652	28%	0.281	S	S	*	.	H	α-helix	trans	-61.8	-32.6	176.4	-175.9	173.2	-178.6	176.9	0	112	Q120	K116-Q120 WeakPolarHBondContact O-CB 2.91Å; K116-Q120 VanDerWaalsContact O-CG 3.25Å; K116-Q120 WeakPolarHBondContact O-CG 2.99Å; K116-Q120 PolarHBondContact O-N 3.37Å; K116-Q120 VanDerWaalsContact O-N 3.15Å
117	E	96.3	Very high	92	Very high	54 Å²	54	51.8 Å²	51.8	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-67.2	-44.3	178.1	179.9	168.8	-157.6	0	0	111.9	S115 Q120 F121 W231 V234 K238	S115-E117 PolarHBondContact O-N 3.46Å; E117-Q120 PolarHBondContact O-N 3.37Å; E117-F121 PolarHBondContact O-N 3.37Å; E117-W231 PolarHBondContact OE2-NE1 3.1Å; E117-V234 HydrophobicContact CG-CG1 3.93Å; E117-K238 HydrophobicContact CG-CD 4.47Å; E117-K238 IonicContact OE1-NZ 2.67Å; E117-K238 PolarHBondContact OE1-NZ 2.85Å
118	E	97.4	Very high	92.8	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-45.8	175.2	-70.8	167.9	108.2	0	0	111.6	S115 Q120 F121 R145 H147 N230 W231 V234	S115-E118 VanDerWaalsContact CB-OE2 3.3Å; S115-E118 WeakPolarHBondContact CB-OE2 3.41Å; S115-E118 PolarHBondContact N-OE2 3.19Å; S115-E118 VanDerWaalsContact N-OE2 3.12Å; S115-E118 PolarHBondContact O-N 2.83Å; S115-E118 WeakPolarHBondContact OG-CB 3.2Å; S115-E118 VanDerWaalsContact OG-CD 3.27Å; S115-E118 WeakPolarHBondContact OG-CG 3.4Å; S115-E118 PolarHBondContact OG-N 2.57Å; S115-E118 PolarHBondContact OG-OE2 3.15Å; E118-Q120 VanDerWaalsContact C-N 3.26Å; E118-Q120 PolarHBondContact O-N 3.42Å; E118-F121 CarbonylContact O-C 3.54Å; E118-F121 VanDerWaalsContact O-C 3.23Å; E118-F121 PolarHBondContact O-N 3.33Å; E118-R145 IonicContact OE1-CZ 3.93Å; E118-R145 IonicContact OE1-NE 3.15Å; E118-R145 PolarHBondContact OE1-NE 2.9Å; E118-R145 VanDerWaalsContact OE1-NE 3.15Å; E118-R145 IonicContact OE1-NH2 3.86Å; E118-H147 PolarHBondContact O-CD2 2.94Å; E118-H147 PolarHBondContact O-NE2 3.03Å; E118-N230 VanDerWaalsContact CG-ND2 3.34Å; E118-N230 WeakPolarHBondContact CG-ND2 3.43Å; E118-N230 VanDerWaalsContact OE1-CB 3.26Å; E118-N230 WeakPolarHBondContact OE1-CB 3.44Å; E118-N230 PolarHBondContact OE1-ND2 3.37Å; E118-W231 HydrophobicContact CG-CB 3.87Å; E118-W231 HydrophobicContact CG-CG 4.16Å; E118-W231 PolarHBondContact OE1-N 2.88Å; E118-W231 VanDerWaalsContact OE1-N 3.17Å; E118-V234 HydrophobicContact CG-CG2 4.25Å
119	E	96.1	Very high	93.7	Very high	109 Å²	109	47.3 Å²	47.3	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-36.6	179.6	-174.3	178.6	-158.1	0	0	112.7	S115 F121	S115-E119 PolarHBondContact O-N 3.29Å; S115-E119 VanDerWaalsContact O-N 3.13Å; E119-F121 VanDerWaalsContact C-N 3.28Å; E119-F121 PolarHBondContact O-N 3Å
120	Q	97.3	Very high	94.2	Very high	135 Å²	135	47.7 Å²	47.7	63%	0.631	25%	0.245	S	C	*	.	H	α-helix	trans	-79.1	-9.9	177.9	-70.2	179.9	-36.3	0	0	113.9	K116 E117 E118	K116-Q120 WeakPolarHBondContact O-CB 2.91Å; K116-Q120 VanDerWaalsContact O-CG 3.25Å; K116-Q120 WeakPolarHBondContact O-CG 2.99Å; K116-Q120 PolarHBondContact O-N 3.37Å; K116-Q120 VanDerWaalsContact O-N 3.15Å; E117-Q120 PolarHBondContact O-N 3.37Å; E118-Q120 VanDerWaalsContact C-N 3.26Å; E118-Q120 PolarHBondContact O-N 3.42Å
121	F	98.1	Very high	94.4	Very high	33 Å²	33	49 Å²	49	15%	0.145	25%	0.252	C	S	.	.	S	Bend	trans	-130.8	68.1	179.1	-159.5	-86.6	0	0	0	111.2	E117 E118 E119 L123 K215 Y216 V234 L237 K238	E117-F121 PolarHBondContact O-N 3.37Å; E118-F121 CarbonylContact O-C 3.54Å; E118-F121 VanDerWaalsContact O-C 3.23Å; E118-F121 PolarHBondContact O-N 3.33Å; E119-F121 VanDerWaalsContact C-N 3.28Å; E119-F121 PolarHBondContact O-N 3Å; F121-L123 HydrophobicContact CD1-CD2 3.82Å; F121-L123 HydrophobicContact CE1-CD2 3.86Å; F121-L123 PolarHBondContact O-N 3.47Å; F121-K215 HydrophobicContact CD1-CB 4.14Å; F121-K215 HydrophobicContact CD1-CG 4.23Å; F121-K215 HydrophobicContact CD2-CB 4.32Å; F121-K215 HydrophobicContact CD2-CG 3.85Å; F121-K215 HydrophobicContact CE1-CB 3.75Å; F121-K215 HydrophobicContact CE1-CG 4.27Å; F121-K215 HydrophobicContact CE2-CB 3.95Å; F121-K215 HydrophobicContact CE2-CG 3.89Å; F121-K215 HydrophobicContact CG-CB 4.42Å; F121-K215 HydrophobicContact CG-CG 4.03Å; F121-K215 HydrophobicContact CZ-CB 3.66Å; F121-K215 HydrophobicContact CZ-CG 4.11Å; F121-Y216 AromaticContact CE1-CD2 3.87Å; F121-Y216 HydrophobicContact CE1-CD2 3.87Å; F121-Y216 HydrophobicContact CE1-CE2 4.43Å; F121-Y216 AromaticContact CZ-CD2 3.73Å; F121-Y216 HydrophobicContact CZ-CD2 3.73Å; F121-Y216 AromaticContact CZ-CE2 3.86Å; F121-Y216 HydrophobicContact CZ-CE2 3.86Å; F121-V234 HydrophobicContact CB-CG1 3.63Å; F121-V234 HydrophobicContact CB-CG2 4.36Å; F121-V234 HydrophobicContact CD1-CB 4.38Å; F121-V234 HydrophobicContact CD1-CG1 4Å; F121-V234 HydrophobicContact CD1-CG2 4.13Å; F121-V234 HydrophobicContact CG-CG1 3.96Å; F121-L237 HydrophobicContact CE1-CB 3.83Å; F121-L237 HydrophobicContact CZ-CB 4.19Å; F121-K238 HydrophobicContact CD2-CD 4.07Å; F121-K238 HydrophobicContact CD2-CG 3.68Å; F121-K238 HydrophobicContact CE2-CD 4.47Å; F121-K238 HydrophobicContact CE2-CG 3.59Å; F121-K238 HydrophobicContact CG-CD 4.39Å; F121-K238 HydrophobicContact CG-CG 4.2Å; F121-K238 HydrophobicContact CZ-CG 4.04Å
122	P	98.3	Very high	94.3	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.123	24%	0.236	C	C	.	.			trans	-63	142.2	-177.6	-20.5	32.6	0	0	0	112.6	H147 W214 K215	P122-H147 VanDerWaalsContact CB-O 3.32Å; P122-H147 WeakPolarHBondContact CB-O 3.32Å; P122-W214 HydrophobicContact CB-CB 4.35Å; P122-W214 CarbonylContact O-C 3.57Å; P122-W214 WeakPolarHBondContact O-CA 3.44Å; P122-W214 WeakPolarHBondContact O-CB 3.31Å; P122-K215 PolarHBondContact O-N 3.48Å
123	L	98.8	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.2	175.2	-56.6	-176.4	0	0	0	110.4	F121 F125 N148 L149 L218 L233 V234 L237	F121-L123 HydrophobicContact CD1-CD2 3.82Å; F121-L123 HydrophobicContact CE1-CD2 3.86Å; F121-L123 PolarHBondContact O-N 3.47Å; L123-F125 HydrophobicContact CB-CE2 3.83Å; L123-F125 HydrophobicContact CB-CZ 4.19Å; L123-F125 HydrophobicContact CD1-CZ 4.18Å; L123-N148 PolarHBondContact N-OD1 3.15Å; L123-N148 CarbonylContact O-C 3.23Å; L123-N148 VanDerWaalsContact O-CA 3.23Å; L123-N148 WeakPolarHBondContact O-CA 3.49Å; L123-N148 VanDerWaalsContact O-CB 3.23Å; L123-N148 WeakPolarHBondContact O-CB 3.42Å; L123-N148 PolarHBondContact O-OD1 3.2Å; L123-L149 PolarHBondContact O-N 3.45Å; L123-L218 HydrophobicContact CB-CD1 4.27Å; L123-L218 HydrophobicContact CD1-CD1 4.2Å; L123-L218 HydrophobicContact CD2-CD1 4.48Å; L123-L233 HydrophobicContact CD1-CB 3.87Å; L123-L233 HydrophobicContact CD1-CD1 4.41Å; L123-V234 HydrophobicContact CD1-CG2 4.13Å; L123-V234 HydrophobicContact CD2-CG2 4.48Å; L123-V234 HydrophobicContact CG-CG2 4.19Å; L123-L237 HydrophobicContact CD1-CD1 4.2Å; L123-L237 HydrophobicContact CD2-CD1 3.56Å
124	A	98.9	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.2	168.1	0	0	0	0	0	111.2	L149 L206 W214 Y216 I217 L218	A124-L149 CarbonylContact C-O 3.59Å; A124-L149 WeakPolarHBondContact CA-O 3.35Å; A124-L206 HydrophobicContact CB-CD1 4.22Å; A124-L206 HydrophobicContact CB-CD2 4.26Å; A124-W214 HydrophobicContact CB-CB 3.99Å; A124-W214 HydrophobicContact CB-CD2 3.54Å; A124-W214 HydrophobicContact CB-CE3 3.97Å; A124-W214 HydrophobicContact CB-CG 3.54Å; A124-Y216 PolarHBondContact N-O 3.21Å; A124-I217 HydrophobicContact CB-CB 4.08Å; A124-I217 HydrophobicContact CB-CG1 4.12Å; A124-I217 CarbonylContact O-C 3.58Å; A124-I217 VanDerWaalsContact O-CA 3.3Å; A124-I217 WeakPolarHBondContact O-CA 3.35Å; A124-L218 PolarHBondContact O-N 3.23Å
125	F	98.9	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.9	176.8	-63.7	-92.2	0	0	0	110.9	L123 I127 I143 N148 L149 Y150 C151 L218 V220 L233 F380	L123-F125 HydrophobicContact CB-CE2 3.83Å; L123-F125 HydrophobicContact CB-CZ 4.19Å; L123-F125 HydrophobicContact CD1-CZ 4.18Å; F125-I127 HydrophobicContact CB-CD1 4.28Å; F125-I127 HydrophobicContact CB-CG1 4.1Å; F125-I143 HydrophobicContact CD1-CD1 4.14Å; F125-I143 HydrophobicContact CG-CD1 4.23Å; F125-N148 HydrophobicContact CE2-CB 4.47Å; F125-L149 PolarHBondContact N-O 3.42Å; F125-Y150 HydrophobicContact CB-CD1 3.68Å; F125-Y150 HydrophobicContact CB-CE1 4.1Å; F125-Y150 AromaticContact CD2-CD1 3.64Å; F125-Y150 HydrophobicContact CD2-CD1 3.64Å; F125-Y150 AromaticContact CD2-CE1 3.18Å; F125-Y150 HydrophobicContact CD2-CE1 3.18Å; F125-Y150 AromaticContact CD2-CZ 3.83Å; F125-Y150 AromaticContact CE2-CE1 3.75Å; F125-Y150 HydrophobicContact CE2-CE1 3.75Å; F125-Y150 AromaticContact CG-CD1 3.93Å; F125-Y150 HydrophobicContact CG-CD1 3.93Å; F125-Y150 AromaticContact CG-CE1 3.8Å; F125-Y150 HydrophobicContact CG-CE1 3.8Å; F125-C151 PolarHBondContact O-N 3.32Å; F125-L218 CarbonylContact C-O 3.27Å; F125-L218 VanDerWaalsContact CA-O 3.29Å; F125-L218 WeakPolarHBondContact CA-O 3.3Å; F125-L218 HydrophobicContact CD1-CB 4.08Å; F125-L218 HydrophobicContact CE1-CB 4.19Å; F125-L218 HydrophobicContact CE1-CD1 4.15Å; F125-L218 HydrophobicContact CZ-CD1 4.38Å; F125-V220 HydrophobicContact CD1-CG2 4.07Å; F125-L233 HydrophobicContact CE1-CD1 4.48Å; F125-L233 HydrophobicContact CZ-CD1 4.33Å; F125-F380 HydrophobicContact CE1-CZ 4.05Å
126	S	98.7	Very high	95	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.9	166.5	171.3	0	0	0	0	108.6	C202 L218 N219 V220	S126-C202 WeakPolarHBondContact OG-CB 3.49Å; S126-L218 PolarHBondContact N-O 3.04Å; S126-N219 CarbonylContact O-C 3.48Å; S126-N219 VanDerWaalsContact O-CA 3.26Å; S126-N219 WeakPolarHBondContact O-CA 3.16Å; S126-V220 PolarHBondContact O-N 3.43Å
127	I	98.5	Very high	95.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.3	-171.5	-54.5	175.7	0	0	0	109	F125 I129 L139 L140 I143 Y150 C151 I152 H153 V220	F125-I127 HydrophobicContact CB-CD1 4.28Å; F125-I127 HydrophobicContact CB-CG1 4.1Å; I127-I129 HydrophobicContact CG2-CD1 3.51Å; I127-I129 HydrophobicContact CG2-CG1 4Å; I127-L139 HydrophobicContact CG2-CD2 4.19Å; I127-L140 HydrophobicContact CD1-CD2 4Å; I127-I143 HydrophobicContact CD1-CD1 3.76Å; I127-Y150 HydrophobicContact CD1-CD1 4.19Å; I127-C151 PolarHBondContact N-O 3.34Å; I127-I152 HydrophobicContact CB-CG1 4.25Å; I127-I152 HydrophobicContact CB-CG2 4.42Å; I127-I152 HydrophobicContact CD1-CG1 4.23Å; I127-I152 HydrophobicContact CG2-CG2 4.43Å; I127-I152 WeakPolarHBondContact O-CA 3.48Å; I127-H153 PolarHBondContact O-N 2.85Å; I127-V220 VanDerWaalsContact CA-O 3.3Å; I127-V220 WeakPolarHBondContact CA-O 3.36Å
128	A	97.8	Very high	94.9	Very high	33 Å²	33	30.8 Å²	30.8	27%	0.273	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.5	176.8	0	0	0	0	0	111.2	V198 V220 N221 G222	A128-V198 HydrophobicContact CB-CG1 4.16Å; A128-V220 PolarHBondContact N-O 3.17Å; A128-N221 WeakPolarHBondContact O-CA 3.49Å; A128-G222 PolarHBondContact O-N 3.27Å; A128-G222 VanDerWaalsContact O-N 3.16Å
129	I	96.5	Very high	94.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.1	-175.9	-55.8	-52.1	0	0	0	110.2	I127 V136 I152 H153 V154 D155 L162 G222	I127-I129 HydrophobicContact CG2-CD1 3.51Å; I127-I129 HydrophobicContact CG2-CG1 4Å; I129-V136 HydrophobicContact CB-CG2 4.3Å; I129-V136 HydrophobicContact CD1-CB 4.37Å; I129-V136 HydrophobicContact CD1-CG1 4.17Å; I129-V136 HydrophobicContact CD1-CG2 3.42Å; I129-V136 VanDerWaalsContact CD1-CG2 3.42Å; I129-V136 HydrophobicContact CG1-CG1 4.27Å; I129-V136 HydrophobicContact CG1-CG2 3.77Å; I129-V136 HydrophobicContact CG2-CG2 3.55Å; I129-I152 HydrophobicContact CG1-CG2 3.73Å; I129-H153 WeakPolarHBondContact CB-O 3.26Å; I129-H153 PolarHBondContact N-O 3.22Å; I129-V154 HydrophobicContact CB-CG2 4.41Å; I129-V154 WeakPolarHBondContact O-CA 3.5Å; I129-D155 PolarHBondContact O-N 3.15Å; I129-L162 HydrophobicContact CG2-CD2 4.16Å; I129-G222 VanDerWaalsContact CD1-CA 3.43Å
130	H	93.4	Very high	94.9	Very high	66 Å²	66	25.4 Å²	25.4	31%	0.306	13%	0.128	S	C	.	.	S	Bend	trans	-133.3	-14.7	171.1	67	-67.2	0	0	0	113.2	D155 S158	H130-D155 HydrophobicContact CB-CB 4.01Å; H130-S158 WeakPolarHBondContact CA-OG 3.45Å; H130-S158 PolarHBondContact O-OG 2.86Å
131	Q	88.7	Confident	94.7	Very high	109 Å²	109	20.3 Å²	20.3	51%	0.509	10%	0.103	S	C	.	.	S	Bend	trans	-152.7	162.5	-175.2	-69.7	-178.9	7.4	0	0	111.4
132	S	86.7	Confident	94.6	Very high	22 Å²	22	19 Å²	19	15%	0.154	10%	0.098	C	C	.	.			trans	56.1	98.1	170.5	-177	0	0	0	0	116.4	K134 Q135 V136 E386	S132-K134 PolarHBondContact O-N 2.95Å; S132-Q135 PolarHBondContact O-N 3.44Å; S132-Q135 WeakPolarHBondContact OG-CG 3.5Å; S132-Q135 PolarHBondContact OG-N 2.85Å; S132-Q135 VanDerWaalsContact OG-N 3.13Å; S132-V136 WeakPolarHBondContact O-CG2 3.34Å; S132-V136 PolarHBondContact O-N 3.49Å; S132-E386 VanDerWaalsContact CB-OE2 3.22Å; S132-E386 WeakPolarHBondContact CB-OE2 3.44Å; S132-E386 PolarHBondContact OG-OE2 3.29Å
133	T	86.8	Confident	94.5	Very high	24 Å²	24	18.4 Å²	18.4	15%	0.147	9%	0.093	C	C	.	.	H	α-helix	trans	-51.3	-44.9	167.8	-61.2	0	0	0	0	111.7	Q135 V136 S137 L162 D165	T133-Q135 PolarHBondContact O-N 2.71Å; T133-V136 PolarHBondContact O-N 2.97Å; T133-V136 VanDerWaalsContact O-N 3.13Å; T133-S137 PolarHBondContact O-N 3.08Å; T133-S137 PolarHBondContact O-OG 3.32Å; T133-L162 WeakPolarHBondContact OG1-CD1 3.41Å; T133-D165 HydrophobicContact CG2-CB 3.48Å; T133-D165 VanDerWaalsContact CG2-CB 3.48Å; T133-D165 WeakPolarHBondContact CG2-OD2 3.3Å; T133-D165 WeakPolarHBondContact OG1-CB 3.23Å; T133-D165 PolarHBondContact OG1-OD2 3.44Å
134	K	90.3	Very high	94.4	Very high	55 Å²	55	20 Å²	20	24%	0.239	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-46.3	-175.6	-59.7	-167.6	-166.3	163.7	0	112	D90 F93 S132 V136 S137 R138 E386	D90-K134 WeakPolarHBondContact OD1-CE 3.42Å; D90-K134 IonicContact OD1-NZ 2.93Å; D90-K134 PolarHBondContact OD1-NZ 3.27Å; F93-K134 HydrophobicContact CD1-CB 4.14Å; F93-K134 HydrophobicContact CD1-CG 4.01Å; F93-K134 HydrophobicContact CD2-CD 3.82Å; F93-K134 HydrophobicContact CD2-CG 3.81Å; F93-K134 HydrophobicContact CE1-CB 3.81Å; F93-K134 HydrophobicContact CE1-CG 4.02Å; F93-K134 HydrophobicContact CE2-CB 4.33Å; F93-K134 HydrophobicContact CE2-CD 3.53Å; F93-K134 HydrophobicContact CE2-CG 3.82Å; F93-K134 HydrophobicContact CG-CD 4.42Å; F93-K134 HydrophobicContact CG-CG 3.9Å; F93-K134 HydrophobicContact CZ-CB 3.91Å; F93-K134 HydrophobicContact CZ-CD 3.91Å; F93-K134 HydrophobicContact CZ-CG 3.93Å; S132-K134 PolarHBondContact O-N 2.95Å; K134-V136 VanDerWaalsContact C-N 3.3Å; K134-V136 PolarHBondContact O-N 3.34Å; K134-S137 PolarHBondContact O-N 3.12Å; K134-R138 WeakPolarHBondContact O-CB 3.45Å; K134-R138 WeakPolarHBondContact O-CD 3.24Å; K134-R138 WeakPolarHBondContact O-CG 3.4Å; K134-R138 PolarHBondContact O-N 2.87Å; K134-E386 VanDerWaalsContact CD-OE1 3.23Å; K134-E386 WeakPolarHBondContact CD-OE1 3.34Å; K134-E386 IonicContact NZ-OE1 3.48Å
135	Q	92.2	Very high	94.3	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-35.5	179	-66.4	-174.3	-61.2	0	0	111.7	S132 T133 L139 G222 E386 Y393	S132-Q135 PolarHBondContact O-N 3.44Å; S132-Q135 WeakPolarHBondContact OG-CG 3.5Å; S132-Q135 PolarHBondContact OG-N 2.85Å; S132-Q135 VanDerWaalsContact OG-N 3.13Å; T133-Q135 PolarHBondContact O-N 2.71Å; Q135-L139 VanDerWaalsContact O-CB 3.28Å; Q135-L139 WeakPolarHBondContact O-CB 3.26Å; Q135-L139 PolarHBondContact O-N 3.39Å; Q135-G222 VanDerWaalsContact CB-O 3.26Å; Q135-G222 WeakPolarHBondContact CB-O 3.24Å; Q135-E386 HydrophobicContact CG-CB 4.23Å; Q135-Y393 HydrophobicContact CB-CE2 4.43Å; Q135-Y393 HydrophobicContact CG-CE2 3.97Å; Q135-Y393 PolarHBondContact O-OH 2.89Å
136	V	92.4	Very high	94.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-51.1	176.3	-175.5	0	0	0	0	111.7	I129 S132 T133 K134 R138 L139 L140 V166	I129-V136 HydrophobicContact CB-CG2 4.3Å; I129-V136 HydrophobicContact CD1-CB 4.37Å; I129-V136 HydrophobicContact CD1-CG1 4.17Å; I129-V136 HydrophobicContact CD1-CG2 3.42Å; I129-V136 VanDerWaalsContact CD1-CG2 3.42Å; I129-V136 HydrophobicContact CG1-CG1 4.27Å; I129-V136 HydrophobicContact CG1-CG2 3.77Å; I129-V136 HydrophobicContact CG2-CG2 3.55Å; S132-V136 WeakPolarHBondContact O-CG2 3.34Å; S132-V136 PolarHBondContact O-N 3.49Å; T133-V136 PolarHBondContact O-N 2.97Å; T133-V136 VanDerWaalsContact O-N 3.13Å; K134-V136 VanDerWaalsContact C-N 3.3Å; K134-V136 PolarHBondContact O-N 3.34Å; V136-R138 VanDerWaalsContact C-N 3.26Å; V136-R138 PolarHBondContact O-N 3Å; V136-L139 PolarHBondContact O-N 2.99Å; V136-L140 HydrophobicContact CG1-CD1 4.21Å; V136-L140 HydrophobicContact CG1-CG 4.44Å; V136-L140 WeakPolarHBondContact O-CG 3.25Å; V136-L140 PolarHBondContact O-N 3.21Å; V136-V166 HydrophobicContact CG1-CG2 4.21Å; V136-V166 HydrophobicContact CG2-CG2 4.49Å
137	S	94.2	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-41.6	-179.3	-52.5	0	0	0	0	110.8	F104 T133 K134 L140 R141 S169	F104-S137 VanDerWaalsContact CE1-O 3.29Å; F104-S137 WeakPolarHBondContact CE1-O 3.42Å; F104-S137 VanDerWaalsContact CZ-C 3.5Å; F104-S137 WeakPolarHBondContact CZ-O 3.45Å; T133-S137 PolarHBondContact O-N 3.08Å; T133-S137 PolarHBondContact O-OG 3.32Å; K134-S137 PolarHBondContact O-N 3.12Å; S137-L140 PolarHBondContact O-N 3.31Å; S137-R141 WeakPolarHBondContact O-CB 3.13Å; S137-R141 PolarHBondContact O-N 2.87Å; S137-S169 PolarHBondContact OG-OG 2.86Å
138	R	94	Very high	94.1	Very high	21 Å²	21	24.1 Å²	24.1	8%	0.079	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-42.8	176.9	-68.1	172.1	73.8	171	8.3	112.2	W88 F93 F104 K134 V136 L140 R141 L142 Y393 D394 E397	W88-R138 HydrophobicContact CH2-CG 4.38Å; W88-R138 HydrophobicContact CZ3-CG 4.41Å; F93-R138 HydrophobicContact CE1-CG 3.95Å; F93-R138 HydrophobicContact CZ-CG 4.45Å; F104-R138 HydrophobicContact CZ-CG 4.39Å; K134-R138 WeakPolarHBondContact O-CB 3.45Å; K134-R138 WeakPolarHBondContact O-CD 3.24Å; K134-R138 WeakPolarHBondContact O-CG 3.4Å; K134-R138 PolarHBondContact O-N 2.87Å; V136-R138 VanDerWaalsContact C-N 3.26Å; V136-R138 PolarHBondContact O-N 3Å; R138-L140 PolarHBondContact O-N 3.2Å; R138-R141 WeakPolarHBondContact O-CB 3.28Å; R138-R141 PolarHBondContact O-N 3.41Å; R138-L142 VanDerWaalsContact O-CD1 3.31Å; R138-L142 WeakPolarHBondContact O-CD1 3.44Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.84Å; R138-Y393 HydrophobicContact CB-CE1 4.1Å; R138-Y393 WeakPolarHBondContact CB-OH 3.22Å; R138-D394 IonicContact CZ-OD1 3.14Å; R138-D394 VanDerWaalsContact CZ-OD1 3.26Å; R138-D394 IonicContact NH1-OD1 2.85Å; R138-D394 PolarHBondContact NH1-OD1 2.87Å; R138-D394 IonicContact NH2-OD1 2.72Å; R138-D394 PolarHBondContact NH2-OD1 3.14Å; R138-E397 IonicContact CZ-OE2 3.61Å; R138-E397 IonicContact NE-OE2 2.97Å; R138-E397 PolarHBondContact NE-OE2 3Å; R138-E397 IonicContact NH2-OE2 3.85Å; R138-E397 PolarHBondContact NH2-OE2 2.9Å
139	L	95.9	Very high	94.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-57.8	-48.9	173.6	176	60.9	0	0	0	111.1	I127 Q135 V136 R141 L142 I143 V220	I127-L139 HydrophobicContact CG2-CD2 4.19Å; Q135-L139 VanDerWaalsContact O-CB 3.28Å; Q135-L139 WeakPolarHBondContact O-CB 3.26Å; Q135-L139 PolarHBondContact O-N 3.39Å; V136-L139 PolarHBondContact O-N 2.99Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.38Å; L139-L142 WeakPolarHBondContact O-CA 3.48Å; L139-L142 WeakPolarHBondContact O-CB 3.38Å; L139-L142 PolarHBondContact O-N 2.99Å; L139-I143 HydrophobicContact CD1-CD1 4.23Å; L139-I143 HydrophobicContact CD1-CG2 3.95Å; L139-I143 HydrophobicContact CG-CD1 4.13Å; L139-I143 WeakPolarHBondContact O-CG1 3.31Å; L139-I143 PolarHBondContact O-N 3.26Å; L139-V220 HydrophobicContact CD1-CG1 4.28Å; L139-V220 HydrophobicContact CD2-CG1 3.9Å
140	L	96.1	Very high	94.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-44.7	177.1	-71.7	174.8	0	0	0	111.3	I127 V136 S137 R138 L142 I143 Y144 I152 F173 I177	I127-L140 HydrophobicContact CD1-CD2 4Å; V136-L140 HydrophobicContact CG1-CD1 4.21Å; V136-L140 HydrophobicContact CG1-CG 4.44Å; V136-L140 WeakPolarHBondContact O-CG 3.25Å; V136-L140 PolarHBondContact O-N 3.21Å; S137-L140 PolarHBondContact O-N 3.31Å; R138-L140 PolarHBondContact O-N 3.2Å; L140-L142 PolarHBondContact O-N 3.42Å; L140-I143 PolarHBondContact O-N 3.25Å; L140-Y144 WeakPolarHBondContact O-CA 3.38Å; L140-Y144 WeakPolarHBondContact O-CB 3.44Å; L140-Y144 PolarHBondContact O-N 3.33Å; L140-I152 HydrophobicContact CD1-CD1 3.97Å; L140-I152 HydrophobicContact CD2-CD1 3.93Å; L140-I152 HydrophobicContact CG-CD1 4.45Å; L140-F173 HydrophobicContact CB-CD2 3.83Å; L140-F173 HydrophobicContact CB-CE2 3.54Å; L140-F173 HydrophobicContact CB-CZ 4.06Å; L140-F173 HydrophobicContact CD1-CD2 4.17Å; L140-F173 HydrophobicContact CD1-CE2 4.39Å; L140-I177 HydrophobicContact CD2-CD1 4.3Å
141	R	94	Very high	94.5	Very high	28 Å²	28	19.3 Å²	19.3	11%	0.106	10%	0.096	C	C	.	.	H	α-helix	trans	-51	-43.8	173.2	-148.5	-155.7	172.7	-168.8	5.2	111.5	W88 F104 L106 F107 S137 R138 L139 F173 E397	W88-R141 VanDerWaalsContact CH2-NH1 3.25Å; F104-R141 HydrophobicContact CD1-CG 4.08Å; F104-R141 HydrophobicContact CE1-CB 3.77Å; F104-R141 HydrophobicContact CE1-CG 3.71Å; F104-R141 HydrophobicContact CZ-CB 4.27Å; F104-R141 HydrophobicContact CZ-CG 4.32Å; F104-R141 WeakPolarHBondContact O-CD 3.23Å; F104-R141 PolarHBondContact O-NE 2.72Å; L106-R141 PolarHBondContact O-NH2 3.11Å; F107-R141 HydrophobicContact CE1-CG 3.65Å; F107-R141 HydrophobicContact CZ-CG 4.32Å; F107-R141 VanDerWaalsContact CZ-O 3.3Å; F107-R141 WeakPolarHBondContact CZ-O 3.43Å; S137-R141 WeakPolarHBondContact O-CB 3.13Å; S137-R141 PolarHBondContact O-N 2.87Å; R138-R141 WeakPolarHBondContact O-CB 3.28Å; R138-R141 PolarHBondContact O-N 3.41Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.38Å; R141-F173 VanDerWaalsContact CA-CZ 3.41Å; R141-F173 HydrophobicContact CB-CZ 3.91Å; R141-F173 HydrophobicContact CG-CZ 4.18Å; R141-F173 VanDerWaalsContact N-CZ 3.31Å; R141-E397 IonicContact CZ-OE1 3.92Å; R141-E397 IonicContact NH1-OE1 2.76Å; R141-E397 PolarHBondContact NH1-OE1 2.71Å
142	L	95.5	Very high	95	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-71.4	-39.8	-177.1	-67.9	156.7	0	0	0	114	R138 L139 L140 L225 P226 E397 I400 M401	R138-L142 VanDerWaalsContact O-CD1 3.31Å; R138-L142 WeakPolarHBondContact O-CD1 3.44Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.84Å; L139-L142 WeakPolarHBondContact O-CA 3.48Å; L139-L142 WeakPolarHBondContact O-CB 3.38Å; L139-L142 PolarHBondContact O-N 2.99Å; L140-L142 PolarHBondContact O-N 3.42Å; L142-L225 HydrophobicContact CD1-CD2 3.36Å; L142-P226 HydrophobicContact CB-CG 3.75Å; L142-P226 HydrophobicContact CD1-CG 4.48Å; L142-P226 HydrophobicContact CG-CG 4.5Å; L142-E397 HydrophobicContact CD1-CG 4.45Å; L142-E397 HydrophobicContact CD2-CB 4.34Å; L142-E397 HydrophobicContact CD2-CG 3.81Å; L142-E397 HydrophobicContact CG-CG 4.47Å; L142-I400 HydrophobicContact CD2-CG2 3.2Å; L142-M401 VanDerWaalsContact CA-CE 3.49Å; L142-M401 HydrophobicContact CB-CE 4.06Å; L142-M401 HydrophobicContact CD2-CE 3.14Å; L142-M401 HydrophobicContact CD2-CG 4.08Å; L142-M401 HydrophobicContact CD2-SD 4.35Å; L142-M401 HydrophobicContact CG-CE 3.67Å
143	I	96.9	Very high	95.6	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-105	-13.2	-170.2	69.3	178.6	0	0	0	114.3	F125 I127 L139 L140 R145 Y150 P226 F380	F125-I143 HydrophobicContact CD1-CD1 4.14Å; F125-I143 HydrophobicContact CG-CD1 4.23Å; I127-I143 HydrophobicContact CD1-CD1 3.76Å; L139-I143 HydrophobicContact CD1-CD1 4.23Å; L139-I143 HydrophobicContact CD1-CG2 3.95Å; L139-I143 HydrophobicContact CG-CD1 4.13Å; L139-I143 WeakPolarHBondContact O-CG1 3.31Å; L139-I143 PolarHBondContact O-N 3.26Å; L140-I143 PolarHBondContact O-N 3.25Å; I143-R145 PolarHBondContact O-N 3.31Å; I143-Y150 HydrophobicContact CD1-CD1 4.21Å; I143-Y150 HydrophobicContact CD1-CE1 3.94Å; I143-Y150 HydrophobicContact CG1-CD1 4.48Å; I143-Y150 HydrophobicContact CG1-CE1 3.83Å; I143-Y150 PolarHBondContact O-OH 3.28Å; I143-P226 HydrophobicContact CG2-CB 4.37Å; I143-P226 HydrophobicContact CG2-CG 3.96Å; I143-F380 HydrophobicContact CG2-CE1 4.05Å; I143-F380 HydrophobicContact CG2-CZ 4.31Å
144	Y	97.1	Very high	96.1	Very high	35 Å²	35	12 Å²	12	14%	0.137	6%	0.058	C	C	.	.			trans	-66.1	132.6	-171.5	177.8	-99.5	0	0	0	112.6	L140 P146 Y150 F173 N176 I177	L140-Y144 WeakPolarHBondContact O-CA 3.38Å; L140-Y144 WeakPolarHBondContact O-CB 3.44Å; L140-Y144 PolarHBondContact O-N 3.33Å; Y144-P146 HydrophobicContact CE1-CG 4.19Å; Y144-Y150 VanDerWaalsContact CA-OH 3.24Å; Y144-Y150 WeakPolarHBondContact CA-OH 3.38Å; Y144-Y150 HydrophobicContact CD2-CD2 4.36Å; Y144-Y150 AromaticContact CD2-CE2 3.88Å; Y144-Y150 HydrophobicContact CD2-CE2 3.88Å; Y144-Y150 HydrophobicContact CE2-CE2 4.34Å; Y144-F173 HydrophobicContact CD1-CB 4.44Å; Y144-F173 AromaticContact CD1-CD1 3.64Å; Y144-F173 HydrophobicContact CD1-CD1 3.64Å; Y144-F173 HydrophobicContact CD1-CE1 4.42Å; Y144-F173 HydrophobicContact CD1-CG 4.46Å; Y144-F173 HydrophobicContact CD2-CB 3.87Å; Y144-F173 HydrophobicContact CD2-CD1 4.17Å; Y144-F173 HydrophobicContact CD2-CG 4.28Å; Y144-F173 HydrophobicContact CE1-CB 4.41Å; Y144-F173 HydrophobicContact CE1-CD1 4.22Å; Y144-F173 HydrophobicContact CE2-CB 3.85Å; Y144-F173 HydrophobicContact CG-CB 4.16Å; Y144-F173 AromaticContact CG-CD1 3.58Å; Y144-F173 HydrophobicContact CG-CD1 3.58Å; Y144-F173 HydrophobicContact CG-CE1 4.36Å; Y144-F173 HydrophobicContact CG-CG 4.15Å; Y144-F173 VanDerWaalsContact CZ-O 3.28Å; Y144-F173 PolarHBondContact OH-O 2.91Å; Y144-N176 VanDerWaalsContact CE2-OD1 3.24Å; Y144-N176 WeakPolarHBondContact CE2-OD1 3.45Å; Y144-N176 PolarHBondContact OH-OD1 2.71Å; Y144-N176 VanDerWaalsContact OH-OD1 3.07Å; Y144-I177 HydrophobicContact CD2-CD1 3.92Å; Y144-I177 HydrophobicContact CD2-CG1 4.33Å; Y144-I177 HydrophobicContact CE2-CD1 4.01Å; Y144-I177 HydrophobicContact CE2-CG1 4.18Å
145	R	97	Very high	96.5	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.015	5%	0.047	C	C	.	.			trans	-140.7	139	165.5	-62	-66.6	-177.3	-90.5	5.9	109.3	E118 I143 H147 N148 Y150 N176 N230	E118-R145 IonicContact OE1-CZ 3.93Å; E118-R145 IonicContact OE1-NE 3.15Å; E118-R145 PolarHBondContact OE1-NE 2.9Å; E118-R145 VanDerWaalsContact OE1-NE 3.15Å; E118-R145 IonicContact OE1-NH2 3.86Å; I143-R145 PolarHBondContact O-N 3.31Å; R145-H147 VanDerWaalsContact C-N 3.27Å; R145-H147 PolarHBondContact O-N 3.37Å; R145-N148 HydrophobicContact CB-CB 4.27Å; R145-N148 PolarHBondContact O-N 3.18Å; R145-N148 VanDerWaalsContact O-N 3.13Å; R145-Y150 PolarHBondContact N-OH 3.14Å; R145-N176 PolarHBondContact O-ND2 2.9Å; R145-N230 HydrophobicContact CG-CB 3.97Å
146	P	96.4	Very high	96.8	Very high	66 Å²	66	11.1 Å²	11.1	43%	0.429	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.3	177.3	-29.5	32.4	0	0	0	115.9	L114 Y144 N176	L114-P146 HydrophobicContact CD2-CG 4.34Å; Y144-P146 HydrophobicContact CE1-CG 4.19Å; P146-N176 PolarHBondContact O-ND2 3.08Å
147	H	96.6	Very high	97	Very high	21 Å²	21	16.6 Å²	16.6	10%	0.097	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.8	-179.5	54.1	-99.8	0	0	0	113.4	E118 P122 R145 Y212	E118-H147 PolarHBondContact O-CD2 2.94Å; E118-H147 PolarHBondContact O-NE2 3.03Å; P122-H147 VanDerWaalsContact CB-O 3.32Å; P122-H147 WeakPolarHBondContact CB-O 3.32Å; R145-H147 VanDerWaalsContact C-N 3.27Å; R145-H147 PolarHBondContact O-N 3.37Å; H147-Y212 WeakPolarHBondContact O-CD1 3.28Å
148	N	98.3	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-80.4	166.6	178	-73.1	-16	0	0	0	111.3	L123 F125 R145 Y150 N176 N230	L123-N148 PolarHBondContact N-OD1 3.15Å; L123-N148 CarbonylContact O-C 3.23Å; L123-N148 VanDerWaalsContact O-CA 3.23Å; L123-N148 WeakPolarHBondContact O-CA 3.49Å; L123-N148 VanDerWaalsContact O-CB 3.23Å; L123-N148 WeakPolarHBondContact O-CB 3.42Å; L123-N148 PolarHBondContact O-OD1 3.2Å; F125-N148 HydrophobicContact CE2-CB 4.47Å; R145-N148 HydrophobicContact CB-CB 4.27Å; R145-N148 PolarHBondContact O-N 3.18Å; R145-N148 VanDerWaalsContact O-N 3.13Å; N148-Y150 HydrophobicContact CB-CE2 3.54Å; N148-Y150 WeakPolarHBondContact CB-OH 3.35Å; N148-Y150 PolarHBondContact ND2-OH 3.28Å; N148-Y150 VanDerWaalsContact ND2-OH 3.12Å; N148-N176 WeakPolarHBondContact O-CB 3.48Å; N148-N176 PolarHBondContact O-ND2 3.44Å; N148-N230 PolarHBondContact ND2-OD1 3.41Å
149	L	98.8	Very high	97.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.6	175.8	-172	68.8	0	0	0	111.6	L123 A124 F125 N176 I178 L206 N209 Y212	L123-L149 PolarHBondContact O-N 3.45Å; A124-L149 CarbonylContact C-O 3.59Å; A124-L149 WeakPolarHBondContact CA-O 3.35Å; F125-L149 PolarHBondContact N-O 3.42Å; L149-N176 HydrophobicContact CD1-CB 4.42Å; L149-N176 WeakPolarHBondContact CD1-O 3.31Å; L149-I178 HydrophobicContact CD1-CD1 4.28Å; L149-L206 HydrophobicContact CB-CD2 4.1Å; L149-L206 HydrophobicContact CD2-CB 4.29Å; L149-L206 HydrophobicContact CD2-CD2 3.51Å; L149-L206 HydrophobicContact CD2-CG 4.5Å; L149-L206 HydrophobicContact CG-CD2 3.47Å; L149-L206 VanDerWaalsContact CG-CD2 3.47Å; L149-N209 HydrophobicContact CD2-CB 3.79Å; L149-Y212 HydrophobicContact CB-CD1 4.49Å; L149-Y212 HydrophobicContact CB-CG 4.1Å; L149-Y212 HydrophobicContact CD1-CD2 3.64Å; L149-Y212 HydrophobicContact CD1-CE2 4.08Å; L149-Y212 HydrophobicContact CD1-CG 3.95Å; L149-Y212 HydrophobicContact CG-CD2 4.48Å; L149-Y212 HydrophobicContact CG-CG 4.42Å
150	Y	98.8	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.6	-175.7	-53.9	-98.6	0	0	0	110	F125 I127 I143 Y144 R145 N148 N176 I177 I178	F125-Y150 HydrophobicContact CB-CD1 3.68Å; F125-Y150 HydrophobicContact CB-CE1 4.1Å; F125-Y150 AromaticContact CD2-CD1 3.64Å; F125-Y150 HydrophobicContact CD2-CD1 3.64Å; F125-Y150 AromaticContact CD2-CE1 3.18Å; F125-Y150 HydrophobicContact CD2-CE1 3.18Å; F125-Y150 AromaticContact CD2-CZ 3.83Å; F125-Y150 AromaticContact CE2-CE1 3.75Å; F125-Y150 HydrophobicContact CE2-CE1 3.75Å; F125-Y150 AromaticContact CG-CD1 3.93Å; F125-Y150 HydrophobicContact CG-CD1 3.93Å; F125-Y150 AromaticContact CG-CE1 3.8Å; F125-Y150 HydrophobicContact CG-CE1 3.8Å; I127-Y150 HydrophobicContact CD1-CD1 4.19Å; I143-Y150 HydrophobicContact CD1-CD1 4.21Å; I143-Y150 HydrophobicContact CD1-CE1 3.94Å; I143-Y150 HydrophobicContact CG1-CD1 4.48Å; I143-Y150 HydrophobicContact CG1-CE1 3.83Å; I143-Y150 PolarHBondContact O-OH 3.28Å; Y144-Y150 VanDerWaalsContact CA-OH 3.24Å; Y144-Y150 WeakPolarHBondContact CA-OH 3.38Å; Y144-Y150 HydrophobicContact CD2-CD2 4.36Å; Y144-Y150 AromaticContact CD2-CE2 3.88Å; Y144-Y150 HydrophobicContact CD2-CE2 3.88Å; Y144-Y150 HydrophobicContact CE2-CE2 4.34Å; R145-Y150 PolarHBondContact N-OH 3.14Å; N148-Y150 HydrophobicContact CB-CE2 3.54Å; N148-Y150 WeakPolarHBondContact CB-OH 3.35Å; N148-Y150 PolarHBondContact ND2-OH 3.28Å; N148-Y150 VanDerWaalsContact ND2-OH 3.12Å; Y150-N176 PolarHBondContact N-O 2.9Å; Y150-I177 HydrophobicContact CD2-CG1 3.93Å; Y150-I177 HydrophobicContact CG-CG1 4.18Å; Y150-I178 WeakPolarHBondContact O-CB 3.1Å; Y150-I178 PolarHBondContact O-N 3.48Å
151	C	98.8	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.3	166.5	175.9	0	0	0	0	109	F125 I127 I178 C202 L206	F125-C151 PolarHBondContact O-N 3.32Å; I127-C151 PolarHBondContact N-O 3.34Å; C151-I178 CarbonylContact C-O 3.57Å; C151-I178 VanDerWaalsContact CA-O 3.29Å; C151-I178 WeakPolarHBondContact CA-O 3.37Å; C151-C202 VanDerWaalsContact C-SG 3.56Å; C151-C202 HydrophobicContact CB-CB 3.63Å; C151-C202 WeakPolarHBondContact CB-SG 3.3Å; C151-C202 PolarHBondContact O-SG 2.64Å; C151-C202 WeakPolarHBondContact SG-CA 3.33Å; C151-C202 WeakPolarHBondContact SG-CB 3.46Å; C151-C202 CovalentContact SG-SG 2.06Å; C151-C202 PolarHBondContact SG-SG 3.13Å; C151-L206 HydrophobicContact CB-CD1 3.83Å; C151-L206 HydrophobicContact CB-CD2 3.81Å; C151-L206 HydrophobicContact CB-CG 3.65Å
152	I	98.7	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.9	179.9	-48.7	-179.1	0	0	0	108.6	I127 I129 L140 V166 I177 I178 V180	I127-I152 HydrophobicContact CB-CG1 4.25Å; I127-I152 HydrophobicContact CB-CG2 4.42Å; I127-I152 HydrophobicContact CD1-CG1 4.23Å; I127-I152 HydrophobicContact CG2-CG2 4.43Å; I127-I152 WeakPolarHBondContact O-CA 3.48Å; I129-I152 HydrophobicContact CG1-CG2 3.73Å; L140-I152 HydrophobicContact CD1-CD1 3.97Å; L140-I152 HydrophobicContact CD2-CD1 3.93Å; L140-I152 HydrophobicContact CG-CD1 4.45Å; I152-V166 HydrophobicContact CB-CG1 4.42Å; I152-V166 HydrophobicContact CD1-CG1 4.27Å; I152-V166 HydrophobicContact CG2-CG1 3.78Å; I152-I177 HydrophobicContact CD1-CG2 3.49Å; I152-I177 VanDerWaalsContact CD1-CG2 3.49Å; I152-I177 HydrophobicContact CG1-CG2 3.91Å; I152-I178 PolarHBondContact N-O 3.12Å; I152-V180 PolarHBondContact O-N 2.93Å
153	H	98.5	Very high	97.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.9	167.5	171.3	-87.6	0	0	0	109.5	I127 I129 V180 V186 V198	I127-H153 PolarHBondContact O-N 2.85Å; I129-H153 WeakPolarHBondContact CB-O 3.26Å; I129-H153 PolarHBondContact N-O 3.22Å; H153-V180 HydrophobicContact CB-CG2 4.1Å; H153-V186 PolarHBondContact CE1-O 3.42Å; H153-V186 PolarHBondContact NE2-N 2.86Å; H153-V186 PolarHBondContact NE2-O 3.18Å; H153-V198 HydrophobicContact CB-CG1 3.56Å; H153-V198 WeakPolarHBondContact CE1-CG2 3.23Å; H153-V198 VanDerWaalsContact CG-CG1 3.47Å
154	V	98.4	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125	169.7	-175.5	0	0	0	0	108.1	I129 S156 L162 Y163 V166 S185	I129-V154 HydrophobicContact CB-CG2 4.41Å; I129-V154 WeakPolarHBondContact O-CA 3.5Å; V154-S156 PolarHBondContact O-N 2.67Å; V154-L162 HydrophobicContact CG1-CD2 4.32Å; V154-L162 HydrophobicContact CG1-CG 4.34Å; V154-Y163 HydrophobicContact CB-CD2 4.05Å; V154-Y163 HydrophobicContact CG2-CD2 4.21Å; V154-V166 HydrophobicContact CG2-CB 3.98Å; V154-V166 HydrophobicContact CG2-CG1 3.83Å; V154-V166 HydrophobicContact CG2-CG2 3.94Å; V154-S185 WeakPolarHBondContact O-CB 3.34Å; V154-S185 PolarHBondContact O-OG 3.41Å
155	D	98.2	Very high	97.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	17%	0.174	C	C	.	.			trans	-51.2	133.7	178.9	-168.1	-21.8	0	0	0	111.1	I129 H130 K157 S158 R182 V188	I129-D155 PolarHBondContact O-N 3.15Å; H130-D155 HydrophobicContact CB-CB 4.01Å; D155-K157 PolarHBondContact O-N 2.78Å; D155-K157 WeakPolarHBondContact OD1-CG 3.26Å; D155-K157 PolarHBondContact OD1-N 3.39Å; D155-K157 VanDerWaalsContact OD1-N 3.14Å; D155-K157 WeakPolarHBondContact OD2-CD 3.47Å; D155-K157 WeakPolarHBondContact OD2-CE 3.37Å; D155-K157 IonicContact OD2-NZ 3.74Å; D155-K157 PolarHBondContact OD2-NZ 3.39Å; D155-S158 VanDerWaalsContact O-CB 3.27Å; D155-S158 WeakPolarHBondContact O-CB 3.43Å; D155-S158 PolarHBondContact O-N 3.17Å; D155-R182 PolarHBondContact O-NH1 2.61Å; D155-V188 HydrophobicContact CB-CG2 4.29Å; D155-V188 PolarHBondContact OD1-N 3.4Å; D155-V188 VanDerWaalsContact OD1-N 3.12Å; D155-V188 WeakPolarHBondContact OD2-CB 3.32Å
156	S	98.1	Very high	97.3	Very high	40 Å²	40	31.5 Å²	31.5	28%	0.28	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.7	-178.7	63.2	0	0	0	0	113.2	V154 S158 R182 S185 V186 N187	V154-S156 PolarHBondContact O-N 2.67Å; S156-S158 VanDerWaalsContact C-N 3.34Å; S156-R182 PolarHBondContact O-NH2 3.44Å; S156-S185 VanDerWaalsContact CB-O 3.31Å; S156-S185 WeakPolarHBondContact CB-O 3.31Å; S156-V186 PolarHBondContact N-O 3.48Å; S156-N187 WeakPolarHBondContact OG-CA 3.39Å; S156-N187 VanDerWaalsContact OG-CB 3.32Å; S156-N187 WeakPolarHBondContact OG-CB 3.49Å; S156-N187 PolarHBondContact OG-N 3Å; S156-N187 VanDerWaalsContact OG-N 3.15Å
157	K	97.1	Very high	97.3	Very high	115 Å²	115	30.6 Å²	30.6	50%	0.5	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.5	173.9	83.2	-159.6	-177.4	-143.9	0	113.7	D155 V188	D155-K157 PolarHBondContact O-N 2.78Å; D155-K157 WeakPolarHBondContact OD1-CG 3.26Å; D155-K157 PolarHBondContact OD1-N 3.39Å; D155-K157 VanDerWaalsContact OD1-N 3.14Å; D155-K157 WeakPolarHBondContact OD2-CD 3.47Å; D155-K157 WeakPolarHBondContact OD2-CE 3.37Å; D155-K157 IonicContact OD2-NZ 3.74Å; D155-K157 PolarHBondContact OD2-NZ 3.39Å; K157-V188 PolarHBondContact NZ-O 3.14Å
158	S	97.1	Very high	97.3	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	17%	0.174	C	C	.	.	S	Bend	trans	-67.9	149.8	174.3	-65.3	0	0	0	0	110.3	H130 D155 S156 R182	H130-S158 WeakPolarHBondContact CA-OG 3.45Å; H130-S158 PolarHBondContact O-OG 2.86Å; D155-S158 VanDerWaalsContact O-CB 3.27Å; D155-S158 WeakPolarHBondContact O-CB 3.43Å; D155-S158 PolarHBondContact O-N 3.17Å; S156-S158 VanDerWaalsContact C-N 3.34Å; S158-R182 PolarHBondContact O-NH2 2.03Å
159	P	96.7	Very high	97.2	Very high	78 Å²	78	32.7 Å²	32.7	51%	0.506	17%	0.174	S	C	.	.			trans	-63.2	151.1	180	27.1	-34.8	0	0	0	111.4	T161 L162 Y163	P159-T161 PolarHBondContact O-N 3.39Å; P159-L162 HydrophobicContact CG-CB 4.14Å; P159-L162 WeakPolarHBondContact O-CB 3.33Å; P159-L162 PolarHBondContact O-N 3.28Å; P159-Y163 PolarHBondContact O-N 3.39Å
160	Q	96.3	Very high	97.1	Very high	88 Å²	88	33 Å²	33	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-57.5	-35.8	179.3	-174.4	58.8	40.8	0	0	112	L162 Y163 D164	Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.08Å; Q160-Y163 VanDerWaalsContact NE2-CD1 3.28Å; Q160-Y163 WeakPolarHBondContact O-CA 3.27Å; Q160-Y163 WeakPolarHBondContact O-CB 3.22Å; Q160-Y163 PolarHBondContact O-N 3.18Å; Q160-D164 PolarHBondContact NE2-OD1 3.47Å; Q160-D164 VanDerWaalsContact O-CG 3.29Å; Q160-D164 PolarHBondContact O-N 3.06Å
161	T	95.2	Very high	97	Very high	93 Å²	93	40.4 Å²	40.4	57%	0.571	21%	0.209	S	C	*	.	H	α-helix	trans	-56.7	-39.8	176.1	51.5	0	0	0	0	112.9	P159 Y163 D164 D165	P159-T161 PolarHBondContact O-N 3.39Å; T161-Y163 VanDerWaalsContact C-N 3.35Å; T161-D164 PolarHBondContact O-N 3.12Å; T161-D165 WeakPolarHBondContact O-CB 3.18Å; T161-D165 VanDerWaalsContact O-CG 3.24Å; T161-D165 PolarHBondContact O-N 3.47Å
162	L	95.1	Very high	96.9	Very high	10 Å²	10	41 Å²	41	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-40.2	175.4	178.8	62.1	0	0	0	111.4	I129 T133 V154 P159 Q160 D165 V166	I129-L162 HydrophobicContact CG2-CD2 4.16Å; T133-L162 WeakPolarHBondContact OG1-CD1 3.41Å; V154-L162 HydrophobicContact CG1-CD2 4.32Å; V154-L162 HydrophobicContact CG1-CG 4.34Å; P159-L162 HydrophobicContact CG-CB 4.14Å; P159-L162 WeakPolarHBondContact O-CB 3.33Å; P159-L162 PolarHBondContact O-N 3.28Å; Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.08Å; L162-D165 PolarHBondContact O-N 3.47Å; L162-V166 HydrophobicContact CD1-CG2 4.42Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.17Å; L162-V166 PolarHBondContact O-N 3.43Å
163	Y	97.4	Very high	96.7	Very high	21 Å²	21	41.8 Å²	41.8	8%	0.082	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-44.9	177.4	178.1	-90.9	0	0	0	111.4	V154 P159 Q160 T161 D165 V166 L167 V179 V180 R182	V154-Y163 HydrophobicContact CB-CD2 4.05Å; V154-Y163 HydrophobicContact CG2-CD2 4.21Å; P159-Y163 PolarHBondContact O-N 3.39Å; Q160-Y163 VanDerWaalsContact NE2-CD1 3.28Å; Q160-Y163 WeakPolarHBondContact O-CA 3.27Å; Q160-Y163 WeakPolarHBondContact O-CB 3.22Å; Q160-Y163 PolarHBondContact O-N 3.18Å; T161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-D165 VanDerWaalsContact C-N 3.35Å; Y163-D165 PolarHBondContact O-N 2.85Å; Y163-V166 PolarHBondContact O-N 2.84Å; Y163-L167 HydrophobicContact CD1-CD1 3.82Å; Y163-L167 HydrophobicContact CD1-CG 4.28Å; Y163-L167 HydrophobicContact CE1-CD1 3.31Å; Y163-L167 HydrophobicContact CE1-CG 3.91Å; Y163-L167 PolarHBondContact O-N 2.88Å; Y163-V179 HydrophobicContact CE2-CG1 3.99Å; Y163-V180 WeakPolarHBondContact CE2-O 3.08Å; Y163-R182 HydrophobicContact CE1-CB 4.29Å; Y163-R182 HydrophobicContact CE2-CB 4.12Å; Y163-R182 PolarHBondContact OH-N 3.37Å
164	D	96.4	Very high	96.6	Very high	61 Å²	61	42.4 Å²	42.4	33%	0.326	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-41.3	178.9	-60.1	-23	0	0	0	111.3	Q160 T161 V166 L167 H168	Q160-D164 PolarHBondContact NE2-OD1 3.47Å; Q160-D164 VanDerWaalsContact O-CG 3.29Å; Q160-D164 PolarHBondContact O-N 3.06Å; T161-D164 PolarHBondContact O-N 3.12Å; D164-V166 PolarHBondContact O-N 2.97Å; D164-L167 WeakPolarHBondContact O-CB 3.34Å; D164-L167 PolarHBondContact O-N 3.22Å; D164-H168 VanDerWaalsContact O-CG 3.32Å; D164-H168 PolarHBondContact O-N 2.95Å; D164-H168 PolarHBondContact O-ND1 3.05Å
165	D	94.9	Very high	96.5	Very high	59 Å²	59	48.3 Å²	48.3	32%	0.316	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-38.7	174.8	-77.3	-12.5	0	0	0	113.2	T133 T161 L162 Y163 L167 H168 S169	T133-D165 HydrophobicContact CG2-CB 3.48Å; T133-D165 VanDerWaalsContact CG2-CB 3.48Å; T133-D165 WeakPolarHBondContact CG2-OD2 3.3Å; T133-D165 WeakPolarHBondContact OG1-CB 3.23Å; T133-D165 PolarHBondContact OG1-OD2 3.44Å; T161-D165 WeakPolarHBondContact O-CB 3.18Å; T161-D165 VanDerWaalsContact O-CG 3.24Å; T161-D165 PolarHBondContact O-N 3.47Å; L162-D165 PolarHBondContact O-N 3.47Å; Y163-D165 VanDerWaalsContact C-N 3.35Å; Y163-D165 PolarHBondContact O-N 2.85Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-H168 PolarHBondContact O-N 3.44Å; D165-S169 WeakPolarHBondContact O-CB 3.22Å; D165-S169 PolarHBondContact O-N 3.34Å; D165-S169 PolarHBondContact O-OG 3.2Å
166	V	96.6	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-39.5	174	169.3	0	0	0	0	110.5	V136 I152 V154 L162 Y163 D164 S169 A170 V179	V136-V166 HydrophobicContact CG1-CG2 4.21Å; V136-V166 HydrophobicContact CG2-CG2 4.49Å; I152-V166 HydrophobicContact CB-CG1 4.42Å; I152-V166 HydrophobicContact CD1-CG1 4.27Å; I152-V166 HydrophobicContact CG2-CG1 3.78Å; V154-V166 HydrophobicContact CG2-CB 3.98Å; V154-V166 HydrophobicContact CG2-CG1 3.83Å; V154-V166 HydrophobicContact CG2-CG2 3.94Å; L162-V166 HydrophobicContact CD1-CG2 4.42Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.17Å; L162-V166 PolarHBondContact O-N 3.43Å; Y163-V166 PolarHBondContact O-N 2.84Å; D164-V166 PolarHBondContact O-N 2.97Å; V166-S169 PolarHBondContact O-N 3.28Å; V166-A170 WeakPolarHBondContact O-CB 3.5Å; V166-A170 PolarHBondContact O-N 3.33Å; V166-V179 HydrophobicContact CG1-CG1 4.23Å; V166-V179 HydrophobicContact CG1-CG2 4.18Å
167	L	97.1	Very high	96.5	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-43.7	172.8	-76.8	177.1	0	0	0	112.1	Y163 D164 D165 S169 A170 K171 V179	Y163-L167 HydrophobicContact CD1-CD1 3.82Å; Y163-L167 HydrophobicContact CD1-CG 4.28Å; Y163-L167 HydrophobicContact CE1-CD1 3.31Å; Y163-L167 HydrophobicContact CE1-CG 3.91Å; Y163-L167 PolarHBondContact O-N 2.88Å; D164-L167 WeakPolarHBondContact O-CB 3.34Å; D164-L167 PolarHBondContact O-N 3.22Å; D165-L167 VanDerWaalsContact C-N 3.34Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-A170 PolarHBondContact O-N 2.76Å; L167-K171 WeakPolarHBondContact O-CB 3.3Å; L167-K171 VanDerWaalsContact O-CG 3.29Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 2.64Å; L167-V179 HydrophobicContact CD2-CB 3.74Å; L167-V179 HydrophobicContact CD2-CG1 3.86Å; L167-V179 HydrophobicContact CD2-CG2 3.97Å; L167-V179 HydrophobicContact CG-CG1 4.41Å
168	H	96.4	Very high	96.6	Very high	63 Å²	63	43.6 Å²	43.6	29%	0.292	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-42.4	175	-65.1	134.1	0	0	0	111.7	D164 D165 K171 C172	D164-H168 VanDerWaalsContact O-CG 3.32Å; D164-H168 PolarHBondContact O-N 2.95Å; D164-H168 PolarHBondContact O-ND1 3.05Å; D165-H168 PolarHBondContact O-N 3.44Å; H168-K171 PolarHBondContact O-N 3.27Å; H168-C172 WeakPolarHBondContact O-CB 3.41Å; H168-C172 PolarHBondContact O-N 3.13Å
169	S	95.6	Very high	96.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-47.8	175.6	-59.7	0	0	0	0	111.3	S137 D165 V166 L167 K171 C172 F173	S137-S169 PolarHBondContact OG-OG 2.86Å; D165-S169 WeakPolarHBondContact O-CB 3.22Å; D165-S169 PolarHBondContact O-N 3.34Å; D165-S169 PolarHBondContact O-OG 3.2Å; V166-S169 PolarHBondContact O-N 3.28Å; L167-S169 VanDerWaalsContact C-N 3.34Å; S169-K171 PolarHBondContact O-N 3.43Å; S169-C172 WeakPolarHBondContact O-CB 3.31Å; S169-C172 PolarHBondContact O-N 3.33Å; S169-F173 VanDerWaalsContact O-CD2 3.28Å; S169-F173 WeakPolarHBondContact O-CD2 3.38Å; S169-F173 PolarHBondContact O-N 2.73Å
170	A	97.1	Very high	96.8	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-48.1	178.1	0	0	0	0	0	111.9	V166 L167 C172 F173 G174 I177 V179	V166-A170 WeakPolarHBondContact O-CB 3.5Å; V166-A170 PolarHBondContact O-N 3.33Å; L167-A170 PolarHBondContact O-N 2.76Å; A170-C172 VanDerWaalsContact C-N 3.29Å; A170-C172 PolarHBondContact O-N 2.64Å; A170-F173 PolarHBondContact O-N 2.73Å; A170-G174 PolarHBondContact O-N 2.83Å; A170-G174 VanDerWaalsContact O-N 3.09Å; A170-I177 HydrophobicContact CB-CB 4.06Å; A170-I177 HydrophobicContact CB-CG2 3.6Å; A170-V179 HydrophobicContact CB-CG2 3.55Å
171	K	97.2	Very high	96.8	Very high	157 Å²	157	40.3 Å²	40.3	68%	0.683	22%	0.219	S	C	*	.	H	α-helix	trans	-60.2	-37.2	176.5	-72.4	173.2	-177	178.5	0	112.8	L167 H168 S169 F173	L167-K171 WeakPolarHBondContact O-CB 3.3Å; L167-K171 VanDerWaalsContact O-CG 3.29Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 2.64Å; H168-K171 PolarHBondContact O-N 3.27Å; S169-K171 PolarHBondContact O-N 3.43Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.21Å
172	C	96.5	Very high	97	Very high	12 Å²	12	39 Å²	39	8%	0.081	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-37.9	178	168.4	0	0	0	0	112.7	L95 C101 K105 H168 S169 A170	L95-C172 HydrophobicContact CB-CB 4.05Å; C101-C172 WeakPolarHBondContact CA-SG 3.21Å; C101-C172 HydrophobicContact CB-CB 3.86Å; C101-C172 WeakPolarHBondContact CB-SG 3.23Å; C101-C172 VanDerWaalsContact SG-C 3.51Å; C101-C172 WeakPolarHBondContact SG-CA 3.35Å; C101-C172 WeakPolarHBondContact SG-CB 3.5Å; C101-C172 PolarHBondContact SG-O 3.39Å; C101-C172 CovalentContact SG-SG 2.02Å; C101-C172 PolarHBondContact SG-SG 2.72Å; K105-C172 PolarHBondContact NZ-O 3.07Å; H168-C172 WeakPolarHBondContact O-CB 3.41Å; H168-C172 PolarHBondContact O-N 3.13Å; S169-C172 WeakPolarHBondContact O-CB 3.31Å; S169-C172 PolarHBondContact O-N 3.33Å; A170-C172 VanDerWaalsContact C-N 3.29Å; A170-C172 PolarHBondContact O-N 2.64Å
173	F	95.6	Very high	97.1	Very high	16 Å²	16	44 Å²	44	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-82.9	-53.7	-177.6	-81.8	-76.2	0	0	0	113.1	F104 K105 L140 R141 Y144 S169 A170 K171 I177	F104-F173 HydrophobicContact CD1-CE2 4.35Å; F104-F173 HydrophobicContact CD1-CZ 4Å; F104-F173 HydrophobicContact CE1-CE2 4.1Å; F104-F173 AromaticContact CE1-CZ 3.84Å; F104-F173 HydrophobicContact CE1-CZ 3.84Å; K105-F173 HydrophobicContact CD-CD1 4.18Å; K105-F173 HydrophobicContact CD-CE1 4.37Å; K105-F173 HydrophobicContact CG-CD1 4.13Å; K105-F173 HydrophobicContact CG-CE1 3.82Å; K105-F173 HydrophobicContact CG-CZ 4.35Å; L140-F173 HydrophobicContact CB-CD2 3.83Å; L140-F173 HydrophobicContact CB-CE2 3.54Å; L140-F173 HydrophobicContact CB-CZ 4.06Å; L140-F173 HydrophobicContact CD1-CD2 4.17Å; L140-F173 HydrophobicContact CD1-CE2 4.39Å; R141-F173 VanDerWaalsContact CA-CZ 3.41Å; R141-F173 HydrophobicContact CB-CZ 3.91Å; R141-F173 HydrophobicContact CG-CZ 4.18Å; R141-F173 VanDerWaalsContact N-CZ 3.31Å; Y144-F173 HydrophobicContact CD1-CB 4.44Å; Y144-F173 AromaticContact CD1-CD1 3.64Å; Y144-F173 HydrophobicContact CD1-CD1 3.64Å; Y144-F173 HydrophobicContact CD1-CE1 4.42Å; Y144-F173 HydrophobicContact CD1-CG 4.46Å; Y144-F173 HydrophobicContact CD2-CB 3.87Å; Y144-F173 HydrophobicContact CD2-CD1 4.17Å; Y144-F173 HydrophobicContact CD2-CG 4.28Å; Y144-F173 HydrophobicContact CE1-CB 4.41Å; Y144-F173 HydrophobicContact CE1-CD1 4.22Å; Y144-F173 HydrophobicContact CE2-CB 3.85Å; Y144-F173 HydrophobicContact CG-CB 4.16Å; Y144-F173 AromaticContact CG-CD1 3.58Å; Y144-F173 HydrophobicContact CG-CD1 3.58Å; Y144-F173 HydrophobicContact CG-CE1 4.36Å; Y144-F173 HydrophobicContact CG-CG 4.15Å; Y144-F173 VanDerWaalsContact CZ-O 3.28Å; Y144-F173 PolarHBondContact OH-O 2.91Å; S169-F173 VanDerWaalsContact O-CD2 3.28Å; S169-F173 WeakPolarHBondContact O-CD2 3.38Å; S169-F173 PolarHBondContact O-N 2.73Å; A170-F173 PolarHBondContact O-N 2.73Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.21Å; F173-I177 HydrophobicContact CB-CD1 3.48Å; F173-I177 VanDerWaalsContact CB-CD1 3.48Å; F173-I177 HydrophobicContact CG-CD1 4.31Å
174	G	95.5	Very high	97.1	Very high	14 Å²	14	46.4 Å²	46.4	14%	0.144	25%	0.251	C	S	.	.			trans	166	170.3	-180	0	0	0	0	0	116	A170 N176 I177	A170-G174 PolarHBondContact O-N 2.83Å; A170-G174 VanDerWaalsContact O-N 3.09Å; G174-N176 PolarHBondContact O-N 2.91Å; G174-I177 PolarHBondContact O-N 2.93Å
175	P	96.7	Very high	97.2	Very high	124 Å²	124	44.3 Å²	44.3	81%	0.805	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-14.8	-175.4	31	-36.7	0	0	0	113.9	I177	P175-I177 PolarHBondContact O-N 3.15Å
176	N	98.1	Very high	97.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	13.1	175.5	61.5	-40.2	0	0	0	113.4	Y144 R145 P146 N148 L149 Y150 G174 Y212	Y144-N176 VanDerWaalsContact CE2-OD1 3.24Å; Y144-N176 WeakPolarHBondContact CE2-OD1 3.45Å; Y144-N176 PolarHBondContact OH-OD1 2.71Å; Y144-N176 VanDerWaalsContact OH-OD1 3.07Å; R145-N176 PolarHBondContact O-ND2 2.9Å; P146-N176 PolarHBondContact O-ND2 3.08Å; N148-N176 WeakPolarHBondContact O-CB 3.48Å; N148-N176 PolarHBondContact O-ND2 3.44Å; L149-N176 HydrophobicContact CD1-CB 4.42Å; L149-N176 WeakPolarHBondContact CD1-O 3.31Å; Y150-N176 PolarHBondContact N-O 2.9Å; G174-N176 PolarHBondContact O-N 2.91Å; N176-Y212 HydrophobicContact CB-CD1 4.48Å; N176-Y212 HydrophobicContact CB-CE1 3.64Å; N176-Y212 HydrophobicContact CB-CE2 4.23Å; N176-Y212 WeakPolarHBondContact CB-OH 3.5Å
177	I	98.6	Very high	97.4	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.1	173.2	-55.1	177.7	0	0	0	109.3	L140 Y144 Y150 I152 A170 F173 G174 P175	L140-I177 HydrophobicContact CD2-CD1 4.3Å; Y144-I177 HydrophobicContact CD2-CD1 3.92Å; Y144-I177 HydrophobicContact CD2-CG1 4.33Å; Y144-I177 HydrophobicContact CE2-CD1 4.01Å; Y144-I177 HydrophobicContact CE2-CG1 4.18Å; Y150-I177 HydrophobicContact CD2-CG1 3.93Å; Y150-I177 HydrophobicContact CG-CG1 4.18Å; I152-I177 HydrophobicContact CD1-CG2 3.49Å; I152-I177 VanDerWaalsContact CD1-CG2 3.49Å; I152-I177 HydrophobicContact CG1-CG2 3.91Å; A170-I177 HydrophobicContact CB-CB 4.06Å; A170-I177 HydrophobicContact CB-CG2 3.6Å; F173-I177 HydrophobicContact CB-CD1 3.48Å; F173-I177 VanDerWaalsContact CB-CD1 3.48Å; F173-I177 HydrophobicContact CG-CD1 4.31Å; G174-I177 PolarHBondContact O-N 2.93Å; P175-I177 PolarHBondContact O-N 3.15Å
178	I	98.5	Very high	97.5	Very high	41 Å²	41	45.3 Å²	45.3	21%	0.21	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117	174.5	-57.9	167.7	0	0	0	107.9	L149 Y150 C151 I152 K205	L149-I178 HydrophobicContact CD1-CD1 4.28Å; Y150-I178 WeakPolarHBondContact O-CB 3.1Å; Y150-I178 PolarHBondContact O-N 3.48Å; C151-I178 CarbonylContact C-O 3.57Å; C151-I178 VanDerWaalsContact CA-O 3.29Å; C151-I178 WeakPolarHBondContact CA-O 3.37Å; I152-I178 PolarHBondContact N-O 3.12Å; I178-K205 HydrophobicContact CD1-CB 4.5Å; I178-K205 HydrophobicContact CG2-CD 4.07Å
179	V	98.5	Very high	97.5	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.4	166.2	-176.9	0	0	0	0	107.8	Y163 V166 L167 A170 N181	Y163-V179 HydrophobicContact CE2-CG1 3.99Å; V166-V179 HydrophobicContact CG1-CG1 4.23Å; V166-V179 HydrophobicContact CG1-CG2 4.18Å; L167-V179 HydrophobicContact CD2-CB 3.74Å; L167-V179 HydrophobicContact CD2-CG1 3.86Å; L167-V179 HydrophobicContact CD2-CG2 3.97Å; L167-V179 HydrophobicContact CG-CG1 4.41Å; A170-V179 HydrophobicContact CB-CG2 3.55Å; V179-N181 PolarHBondContact O-N 2.62Å
180	V	98.6	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.6	128.6	176.4	173.5	0	0	0	0	108.9	I152 H153 Y163 E184 L201 K205	I152-V180 PolarHBondContact O-N 2.93Å; H153-V180 HydrophobicContact CB-CG2 4.1Å; Y163-V180 WeakPolarHBondContact CE2-O 3.08Å; V180-E184 HydrophobicContact CG1-CB 3.82Å; V180-L201 HydrophobicContact CG1-CD2 3.66Å; V180-L201 HydrophobicContact CG1-CG 4.49Å; V180-L201 HydrophobicContact CG2-CD2 4.31Å; V180-K205 HydrophobicContact CG2-CD 4.12Å
181	N	98.3	Very high	97.5	Very high	85 Å²	85	51.7 Å²	51.7	46%	0.455	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-57.5	144.4	179.6	-67.4	-42.6	0	0	0	111.2	V179 S183 E184 S185	V179-N181 PolarHBondContact O-N 2.62Å; N181-S183 PolarHBondContact O-N 3.34Å; N181-S183 VanDerWaalsContact O-N 3.14Å; N181-E184 HydrophobicContact CB-CG 4.31Å; N181-E184 WeakPolarHBondContact CB-OE2 3.35Å; N181-E184 PolarHBondContact ND2-OE2 2.9Å; N181-E184 CarbonylContact O-C 3.45Å; N181-E184 WeakPolarHBondContact O-CA 3.27Å; N181-E184 WeakPolarHBondContact O-CB 3.43Å; N181-E184 PolarHBondContact O-N 3.44Å; N181-S185 PolarHBondContact O-N 3.44Å; N181-S185 VanDerWaalsContact O-N 3.14Å
182	R	97.5	Very high	97.5	Very high	66 Å²	66	47.7 Å²	47.7	25%	0.249	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.7	-32	-179.2	-167.5	59.1	172.1	178	0.9	113.9	D155 S156 S158 Y163 E184 S185	D155-R182 PolarHBondContact O-NH1 2.61Å; S156-R182 PolarHBondContact O-NH2 3.44Å; S158-R182 PolarHBondContact O-NH2 2.03Å; Y163-R182 HydrophobicContact CE1-CB 4.29Å; Y163-R182 HydrophobicContact CE2-CB 4.12Å; Y163-R182 PolarHBondContact OH-N 3.37Å; R182-E184 VanDerWaalsContact C-N 3.26Å; R182-E184 PolarHBondContact O-N 3.24Å; R182-S185 WeakPolarHBondContact O-CB 3.38Å; R182-S185 PolarHBondContact O-N 2.96Å
183	S	97.7	Very high	97.6	Very high	115 Å²	115	47.9 Å²	47.9	80%	0.804	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21.9	175	51.7	0	0	0	0	113.8	N181	N181-S183 PolarHBondContact O-N 3.34Å; N181-S183 VanDerWaalsContact O-N 3.14Å
184	E	98.2	Very high	97.8	Very high	71 Å²	71	47.6 Å²	47.6	33%	0.332	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-98.5	-5.8	177.1	-59.6	176.8	74.5	0	0	111.9	V180 N181 R182 V186 K205	V180-E184 HydrophobicContact CG1-CB 3.82Å; N181-E184 HydrophobicContact CB-CG 4.31Å; N181-E184 WeakPolarHBondContact CB-OE2 3.35Å; N181-E184 PolarHBondContact ND2-OE2 2.9Å; N181-E184 CarbonylContact O-C 3.45Å; N181-E184 WeakPolarHBondContact O-CA 3.27Å; N181-E184 WeakPolarHBondContact O-CB 3.43Å; N181-E184 PolarHBondContact O-N 3.44Å; R182-E184 VanDerWaalsContact C-N 3.26Å; R182-E184 PolarHBondContact O-N 3.24Å; E184-V186 PolarHBondContact O-N 3.19Å; E184-V186 VanDerWaalsContact O-N 3.16Å; E184-K205 WeakPolarHBondContact OE1-CE 3.38Å; E184-K205 IonicContact OE1-NZ 2.66Å; E184-K205 PolarHBondContact OE1-NZ 3.27Å; E184-K205 IonicContact OE2-NZ 3.57Å; E184-K205 PolarHBondContact OE2-NZ 3.05Å
185	S	98.2	Very high	97.9	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.112	25%	0.252	C	S	.	.			trans	-62.9	116.9	-179.9	-78.5	0	0	0	0	111.4	V154 S156 N181 R182	V154-S185 WeakPolarHBondContact O-CB 3.34Å; V154-S185 PolarHBondContact O-OG 3.41Å; S156-S185 VanDerWaalsContact CB-O 3.31Å; S156-S185 WeakPolarHBondContact CB-O 3.31Å; N181-S185 PolarHBondContact O-N 3.44Å; N181-S185 VanDerWaalsContact O-N 3.14Å; R182-S185 WeakPolarHBondContact O-CB 3.38Å; R182-S185 PolarHBondContact O-N 2.96Å
186	V	98.4	Very high	98	Very high	21 Å²	21	42.2 Å²	42.2	13%	0.127	21%	0.214	C	C	.	.			trans	-71.8	141.7	170.6	-177.2	0	0	0	0	112	H153 S156 E184 V188 E197 V198 L201	H153-V186 PolarHBondContact CE1-O 3.42Å; H153-V186 PolarHBondContact NE2-N 2.86Å; H153-V186 PolarHBondContact NE2-O 3.18Å; S156-V186 PolarHBondContact N-O 3.48Å; E184-V186 PolarHBondContact O-N 3.19Å; E184-V186 VanDerWaalsContact O-N 3.16Å; V186-V188 PolarHBondContact O-N 3.47Å; V186-E197 WeakPolarHBondContact CG1-OE2 3.23Å; V186-E197 HydrophobicContact CG2-CG 3.96Å; V186-V198 HydrophobicContact CB-CG2 3.81Å; V186-V198 HydrophobicContact CG1-CG2 4.26Å; V186-V198 HydrophobicContact CG2-CG2 4.21Å; V186-L201 HydrophobicContact CG2-CD2 4.48Å
187	N	98	Very high	98	Very high	77 Å²	77	45.6 Å²	45.6	41%	0.412	23%	0.23	S	C	.	.			trans	-79.5	105.8	168	-177.2	-28.4	0	0	0	109.4	S156 Q189 S194	S156-N187 WeakPolarHBondContact OG-CA 3.39Å; S156-N187 VanDerWaalsContact OG-CB 3.32Å; S156-N187 WeakPolarHBondContact OG-CB 3.49Å; S156-N187 PolarHBondContact OG-N 3Å; S156-N187 VanDerWaalsContact OG-N 3.15Å; N187-Q189 PolarHBondContact O-N 3.28Å; N187-Q189 PolarHBondContact OD1-NE2 3.39Å; N187-S194 WeakPolarHBondContact O-CB 3.38Å
188	V	98.1	Very high	98	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.182	23%	0.227	C	C	.	.			trans	-82	116.4	-171	-173.1	0	0	0	0	111.1	D155 K157 V186 I195 V198	D155-V188 HydrophobicContact CB-CG2 4.29Å; D155-V188 PolarHBondContact OD1-N 3.4Å; D155-V188 VanDerWaalsContact OD1-N 3.12Å; D155-V188 WeakPolarHBondContact OD2-CB 3.32Å; K157-V188 PolarHBondContact NZ-O 3.14Å; V186-V188 PolarHBondContact O-N 3.47Å; V188-I195 HydrophobicContact CG1-CG1 3.78Å; V188-V198 HydrophobicContact CG2-CG2 3.73Å
189	Q	97.4	Very high	98	Very high	93 Å²	93	43.2 Å²	43.2	44%	0.435	22%	0.218	S	C	.	.			trans	-111.4	123.5	177	-63.5	-64.6	-22	0	0	110.2	N187 G191 Y192 S194	N187-Q189 PolarHBondContact O-N 3.28Å; N187-Q189 PolarHBondContact OD1-NE2 3.39Å; Q189-G191 PolarHBondContact O-N 3.44Å; Q189-Y192 HydrophobicContact CB-CD2 3.72Å; Q189-Y192 HydrophobicContact CB-CG 4.13Å; Q189-Y192 PolarHBondContact O-N 3.48Å; Q189-S194 PolarHBondContact N-OG 2.8Å; Q189-S194 PolarHBondContact O-OG 2.84Å; Q189-S194 VanDerWaalsContact O-OG 3.12Å
190	W	95.5	Very high	98	Very high	112 Å²	112	42.8 Å²	42.8	42%	0.424	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	130	-174.3	-179.5	75.6	0	0	0	112.3	Y192 Q306 H308 R360	W190-Y192 VanDerWaalsContact C-N 3.31Å; W190-Y192 VanDerWaalsContact O-CD2 3.3Å; W190-Y192 WeakPolarHBondContact O-CD2 3.44Å; W190-Q306 PolarHBondContact O-NE2 2.7Å; W190-H308 AromaticContact CE2-CE1 3.91Å; W190-H308 AromaticContact CH2-CE1 3.69Å; W190-H308 AromaticContact CZ2-CE1 3.62Å; W190-R360 VanDerWaalsContact CB-NH1 3.34Å; W190-R360 VanDerWaalsContact CG-CZ 3.46Å
191	G	96.2	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	3.8	-175.8	0	0	0	0	0	114.8	Q189 Q306 K307 H308	Q189-G191 PolarHBondContact O-N 3.44Å; G191-Q306 CarbonylContact O-C 3.55Å; G191-Q306 VanDerWaalsContact O-C 3.27Å; G191-Q306 VanDerWaalsContact O-CA 3.3Å; G191-Q306 WeakPolarHBondContact O-CA 3.21Å; G191-Q306 WeakPolarHBondContact O-CG 3.36Å; G191-K307 PolarHBondContact O-N 3.48Å; G191-K307 VanDerWaalsContact O-N 3.09Å; G191-H308 PolarHBondContact O-N 3.39Å
192	Y	98.4	Very high	98	Very high	72 Å²	72	40.4 Å²	40.4	28%	0.282	20%	0.202	S	C	.	.	S	Bend	trans	-110.3	168.3	177.6	-65.9	-95.5	0	0	0	111.5	Q189 W190 S194 I195 H304 Q306	Q189-Y192 HydrophobicContact CB-CD2 3.72Å; Q189-Y192 HydrophobicContact CB-CG 4.13Å; Q189-Y192 PolarHBondContact O-N 3.48Å; W190-Y192 VanDerWaalsContact C-N 3.31Å; W190-Y192 VanDerWaalsContact O-CD2 3.3Å; W190-Y192 WeakPolarHBondContact O-CD2 3.44Å; Y192-S194 PolarHBondContact O-N 3.12Å; Y192-I195 PolarHBondContact O-N 3.48Å; Y192-H304 WeakPolarHBondContact CE1-O 3.02Å; Y192-Q306 HydrophobicContact CD1-CB 4.4Å; Y192-Q306 HydrophobicContact CD2-CB 4.4Å; Y192-Q306 HydrophobicContact CD2-CG 4.03Å; Y192-Q306 HydrophobicContact CE1-CB 3.88Å; Y192-Q306 HydrophobicContact CE2-CB 3.87Å; Y192-Q306 HydrophobicContact CE2-CG 3.66Å
193	Y	98.6	Very high	98.1	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.063	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.8	179.7	175.9	-105.9	0	0	0	114.7	I195 L196 E197 L296 I299 K300 K303 P309	Y193-I195 PolarHBondContact O-N 2.79Å; Y193-L196 HydrophobicContact CD2-CB 4.44Å; Y193-L196 HydrophobicContact CD2-CD2 4.33Å; Y193-L196 HydrophobicContact CE2-CD2 4.11Å; Y193-L196 HydrophobicContact CE2-CG 4.36Å; Y193-L196 PolarHBondContact O-N 3.13Å; Y193-E197 HydrophobicContact CD1-CB 3.97Å; Y193-E197 HydrophobicContact CD1-CG 4.43Å; Y193-E197 HydrophobicContact CE1-CB 3.57Å; Y193-E197 HydrophobicContact CE1-CG 3.74Å; Y193-E197 PolarHBondContact O-N 3.36Å; Y193-L296 HydrophobicContact CE2-CD1 4.15Å; Y193-I299 HydrophobicContact CD2-CG2 3.67Å; Y193-I299 HydrophobicContact CE2-CG2 4.12Å; Y193-K300 HydrophobicContact CD2-CG 4.41Å; Y193-K300 HydrophobicContact CE1-CG 4.06Å; Y193-K300 HydrophobicContact CE2-CG 3.65Å; Y193-K300 VanDerWaalsContact CZ-CG 3.47Å; Y193-K300 WeakPolarHBondContact OH-CE 3.33Å; Y193-K303 HydrophobicContact CD1-CB 4.01Å; Y193-K303 HydrophobicContact CG-CB 3.99Å; Y193-P309 HydrophobicContact CD2-CG 4.41Å
194	S	98.4	Very high	98.1	Very high	11 Å²	11	34.2 Å²	34.2	8%	0.077	16%	0.164	C	C	.	.	H	α-helix	trans	-51.2	-28.8	-179.8	60.9	0	0	0	0	115.3	N187 Q189 Y192 V198	N187-S194 WeakPolarHBondContact O-CB 3.38Å; Q189-S194 PolarHBondContact N-OG 2.8Å; Q189-S194 PolarHBondContact O-OG 2.84Å; Q189-S194 VanDerWaalsContact O-OG 3.12Å; Y192-S194 PolarHBondContact O-N 3.12Å; S194-V198 WeakPolarHBondContact O-CG2 3.37Å; S194-V198 PolarHBondContact O-N 3.01Å; S194-V198 VanDerWaalsContact O-N 3.15Å
195	I	98	Very high	98.1	Very high	24 Å²	24	33 Å²	33	12%	0.123	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-47.5	176	-64.6	166.1	0	0	0	110.6	V188 Y192 Y193 E197 F199 F274 D310	V188-I195 HydrophobicContact CG1-CG1 3.78Å; Y192-I195 PolarHBondContact O-N 3.48Å; Y193-I195 PolarHBondContact O-N 2.79Å; I195-E197 VanDerWaalsContact C-N 3.34Å; I195-F199 PolarHBondContact O-N 3.48Å; I195-F274 HydrophobicContact CG2-CD1 3.87Å; I195-F274 HydrophobicContact CG2-CE1 3.44Å; I195-F274 VanDerWaalsContact CG2-CE1 3.44Å; I195-F274 HydrophobicContact CG2-CE2 4.46Å; I195-F274 HydrophobicContact CG2-CZ 3.74Å; I195-D310 HydrophobicContact CB-CB 4.11Å; I195-D310 HydrophobicContact CG2-CB 3.72Å
196	L	98.6	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-41.5	175.7	177.8	59.6	0	0	0	110.6	Y193 V198 F199 L200 L296 I299 P309 D310 Y313 F314	Y193-L196 HydrophobicContact CD2-CB 4.44Å; Y193-L196 HydrophobicContact CD2-CD2 4.33Å; Y193-L196 HydrophobicContact CE2-CD2 4.11Å; Y193-L196 HydrophobicContact CE2-CG 4.36Å; Y193-L196 PolarHBondContact O-N 3.13Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.46Å; L196-F199 PolarHBondContact O-N 3.34Å; L196-F199 VanDerWaalsContact O-N 3.13Å; L196-L200 HydrophobicContact CD1-CD1 4.3Å; L196-L200 HydrophobicContact CD1-CD2 4.4Å; L196-L200 HydrophobicContact CD1-CG 4.11Å; L196-L200 HydrophobicContact CG-CD1 3.95Å; L196-L200 HydrophobicContact CG-CG 4.21Å; L196-L200 WeakPolarHBondContact O-CG 3.05Å; L196-L200 PolarHBondContact O-N 3.04Å; L196-L296 HydrophobicContact CD2-CD1 4.2Å; L196-I299 HydrophobicContact CD2-CG2 4.31Å; L196-P309 HydrophobicContact CD2-CB 4.24Å; L196-D310 HydrophobicContact CB-CB 4.34Å; L196-Y313 HydrophobicContact CD1-CD1 4.08Å; L196-Y313 HydrophobicContact CD2-CD1 4.12Å; L196-Y313 HydrophobicContact CD2-CG 4Å; L196-F314 HydrophobicContact CD1-CD2 4.07Å; L196-F314 HydrophobicContact CD1-CE2 3.71Å
197	E	98.6	Very high	98.1	Very high	74 Å²	74	32 Å²	32	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-55.2	-44.9	178	-169.6	172.2	-154.1	0	0	112.6	V186 Y193 I195 F199 L200 L201	V186-E197 WeakPolarHBondContact CG1-OE2 3.23Å; V186-E197 HydrophobicContact CG2-CG 3.96Å; Y193-E197 HydrophobicContact CD1-CB 3.97Å; Y193-E197 HydrophobicContact CD1-CG 4.43Å; Y193-E197 HydrophobicContact CE1-CB 3.57Å; Y193-E197 HydrophobicContact CE1-CG 3.74Å; Y193-E197 PolarHBondContact O-N 3.36Å; I195-E197 VanDerWaalsContact C-N 3.34Å; E197-F199 VanDerWaalsContact C-N 3.35Å; E197-F199 PolarHBondContact O-N 2.89Å; E197-L200 PolarHBondContact O-N 3.29Å; E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 PolarHBondContact O-N 3.01Å
198	V	98.4	Very high	98.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-43.7	176.7	165.7	0	0	0	0	111.9	A128 H153 V186 V188 S194 L196 L201 C202	A128-V198 HydrophobicContact CB-CG1 4.16Å; H153-V198 HydrophobicContact CB-CG1 3.56Å; H153-V198 WeakPolarHBondContact CE1-CG2 3.23Å; H153-V198 VanDerWaalsContact CG-CG1 3.47Å; V186-V198 HydrophobicContact CB-CG2 3.81Å; V186-V198 HydrophobicContact CG1-CG2 4.26Å; V186-V198 HydrophobicContact CG2-CG2 4.21Å; V188-V198 HydrophobicContact CG2-CG2 3.73Å; S194-V198 WeakPolarHBondContact O-CG2 3.37Å; S194-V198 PolarHBondContact O-N 3.01Å; S194-V198 VanDerWaalsContact O-N 3.15Å; L196-V198 VanDerWaalsContact C-N 3.33Å; L196-V198 PolarHBondContact O-N 3.46Å; V198-L201 PolarHBondContact O-N 3.22Å; V198-C202 PolarHBondContact O-N 3.24Å
199	F	98.7	Very high	98	Very high	2 Å²	2	34 Å²	34	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-45.5	176.8	173.5	-93.2	0	0	0	111.5	I195 L196 E197 L201 C202 A203 I217 N219 F274 L278 I283 F314	I195-F199 PolarHBondContact O-N 3.48Å; L196-F199 PolarHBondContact O-N 3.34Å; L196-F199 VanDerWaalsContact O-N 3.13Å; E197-F199 VanDerWaalsContact C-N 3.35Å; E197-F199 PolarHBondContact O-N 2.89Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 2.84Å; F199-C202 PolarHBondContact O-N 3.16Å; F199-A203 HydrophobicContact CE1-CB 4.13Å; F199-A203 HydrophobicContact CZ-CB 4.34Å; F199-A203 VanDerWaalsContact O-CB 3.31Å; F199-A203 WeakPolarHBondContact O-CB 3.41Å; F199-A203 PolarHBondContact O-N 3.15Å; F199-I217 HydrophobicContact CE2-CD1 3.87Å; F199-I217 HydrophobicContact CE2-CG1 4.36Å; F199-I217 HydrophobicContact CZ-CD1 4.08Å; F199-I217 HydrophobicContact CZ-CG2 4.23Å; F199-N219 HydrophobicContact CD2-CB 3.63Å; F199-N219 HydrophobicContact CE2-CB 3.78Å; F199-F274 HydrophobicContact CB-CE2 3.96Å; F199-F274 HydrophobicContact CB-CZ 3.63Å; F199-F274 HydrophobicContact CG-CE2 4.32Å; F199-F274 HydrophobicContact CG-CZ 4.3Å; F199-L278 HydrophobicContact CE1-CD1 4.21Å; F199-L278 HydrophobicContact CZ-CD1 3.94Å; F199-I283 HydrophobicContact CE1-CD1 4.16Å; F199-I283 HydrophobicContact CZ-CD1 4.05Å; F199-F314 HydrophobicContact CD1-CD2 4.39Å; F199-F314 AromaticContact CD1-CE2 3.42Å; F199-F314 HydrophobicContact CD1-CE2 3.42Å; F199-F314 VanDerWaalsContact CD1-CE2 3.42Å; F199-F314 AromaticContact CD1-CZ 3.91Å; F199-F314 HydrophobicContact CD1-CZ 3.91Å; F199-F314 HydrophobicContact CE1-CD2 4.21Å; F199-F314 HydrophobicContact CE1-CE1 4.47Å; F199-F314 AromaticContact CE1-CE2 3.3Å; F199-F314 HydrophobicContact CE1-CE2 3.3Å; F199-F314 AromaticContact CE1-CZ 3.45Å; F199-F314 HydrophobicContact CE1-CZ 3.45Å; F199-F314 VanDerWaalsContact CE1-CZ 3.45Å; F199-F314 HydrophobicContact CZ-CE2 4.43Å
200	L	98.6	Very high	97.9	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-43.1	178.9	-65.1	176.7	0	0	0	111.6	L196 E197 C202 A203 D204 Y286 L296 Y313 F314	L196-L200 HydrophobicContact CD1-CD1 4.3Å; L196-L200 HydrophobicContact CD1-CD2 4.4Å; L196-L200 HydrophobicContact CD1-CG 4.11Å; L196-L200 HydrophobicContact CG-CD1 3.95Å; L196-L200 HydrophobicContact CG-CG 4.21Å; L196-L200 WeakPolarHBondContact O-CG 3.05Å; L196-L200 PolarHBondContact O-N 3.04Å; E197-L200 PolarHBondContact O-N 3.29Å; L200-C202 VanDerWaalsContact C-N 3.32Å; L200-C202 PolarHBondContact O-N 3.12Å; L200-A203 PolarHBondContact O-N 3.2Å; L200-D204 WeakPolarHBondContact O-CB 3.25Å; L200-D204 VanDerWaalsContact O-CG 3.27Å; L200-D204 PolarHBondContact O-N 2.87Å; L200-Y286 HydrophobicContact CD2-CD2 4.24Å; L200-Y286 HydrophobicContact CD2-CE1 4.16Å; L200-Y286 HydrophobicContact CD2-CE2 3.74Å; L200-L296 HydrophobicContact CD1-CD1 3.75Å; L200-L296 HydrophobicContact CD1-CD2 3.99Å; L200-Y313 HydrophobicContact CD2-CE1 4.46Å; L200-F314 HydrophobicContact CD2-CE2 4.04Å; L200-F314 HydrophobicContact CD2-CZ 3.7Å
201	L	98.5	Very high	98	Very high	35 Å²	35	35.4 Å²	35.4	18%	0.183	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-45.9	174.8	177.5	64	0	0	0	111.6	V180 V186 E197 V198 F199 K205	V180-L201 HydrophobicContact CG1-CD2 3.66Å; V180-L201 HydrophobicContact CG1-CG 4.49Å; V180-L201 HydrophobicContact CG2-CD2 4.31Å; V186-L201 HydrophobicContact CG2-CD2 4.48Å; E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 PolarHBondContact O-N 3.01Å; V198-L201 PolarHBondContact O-N 3.22Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 2.84Å; L201-K205 WeakPolarHBondContact O-CG 3.17Å; L201-K205 PolarHBondContact O-N 2.86Å
202	C	98.7	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-42.4	177	-94.7	0	0	0	0	112.8	S126 C151 V198 F199 L200 D204 K205 L206	S126-C202 WeakPolarHBondContact OG-CB 3.49Å; C151-C202 VanDerWaalsContact C-SG 3.56Å; C151-C202 HydrophobicContact CB-CB 3.63Å; C151-C202 WeakPolarHBondContact CB-SG 3.3Å; C151-C202 PolarHBondContact O-SG 2.64Å; C151-C202 WeakPolarHBondContact SG-CA 3.33Å; C151-C202 WeakPolarHBondContact SG-CB 3.46Å; C151-C202 CovalentContact SG-SG 2.06Å; C151-C202 PolarHBondContact SG-SG 3.13Å; V198-C202 PolarHBondContact O-N 3.24Å; F199-C202 PolarHBondContact O-N 3.16Å; L200-C202 VanDerWaalsContact C-N 3.32Å; L200-C202 PolarHBondContact O-N 3.12Å; C202-D204 PolarHBondContact O-N 3.17Å; C202-K205 PolarHBondContact O-N 3.04Å; C202-L206 WeakPolarHBondContact O-CB 3.3Å; C202-L206 WeakPolarHBondContact O-CD1 3.48Å; C202-L206 WeakPolarHBondContact O-CG 3.46Å; C202-L206 PolarHBondContact O-N 3.22Å
203	A	98.5	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-39.2	176.4	0	0	0	0	0	111.2	F199 L200 L206 L207 I217 I283 Y286	F199-A203 HydrophobicContact CE1-CB 4.13Å; F199-A203 HydrophobicContact CZ-CB 4.34Å; F199-A203 VanDerWaalsContact O-CB 3.31Å; F199-A203 WeakPolarHBondContact O-CB 3.41Å; F199-A203 PolarHBondContact O-N 3.15Å; L200-A203 PolarHBondContact O-N 3.2Å; A203-L206 PolarHBondContact O-N 3.02Å; A203-L207 VanDerWaalsContact O-CB 3.23Å; A203-L207 WeakPolarHBondContact O-CB 3.42Å; A203-L207 PolarHBondContact O-N 3.24Å; A203-I217 HydrophobicContact CB-CD1 4.14Å; A203-I283 HydrophobicContact CB-CD1 4.37Å; A203-I283 HydrophobicContact CB-CG2 4.23Å; A203-Y286 HydrophobicContact CB-CE1 4.39Å
204	D	98.1	Very high	97.9	Very high	50 Å²	50	38.9 Å²	38.9	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-47.9	175.5	-75.7	-23.3	0	0	0	112.2	L200 C202 L206 L207 N208 Y286 K287	L200-D204 WeakPolarHBondContact O-CB 3.25Å; L200-D204 VanDerWaalsContact O-CG 3.27Å; L200-D204 PolarHBondContact O-N 2.87Å; C202-D204 PolarHBondContact O-N 3.17Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 3.02Å; D204-L207 PolarHBondContact O-N 2.95Å; D204-N208 VanDerWaalsContact O-CB 3.31Å; D204-N208 WeakPolarHBondContact O-CB 3.26Å; D204-N208 PolarHBondContact O-N 2.73Å; D204-N208 PolarHBondContact O-ND2 3.4Å; D204-N208 PolarHBondContact O-OD1 2.8Å; D204-Y286 PolarHBondContact OD1-OH 2.67Å; D204-K287 VanDerWaalsContact OD1-CD 3.27Å; D204-K287 WeakPolarHBondContact OD1-CD 3.38Å; D204-K287 WeakPolarHBondContact OD1-CE 3.24Å; D204-K287 IonicContact OD1-NZ 2.72Å; D204-K287 PolarHBondContact OD1-NZ 2.9Å
205	K	98.4	Very high	97.9	Very high	45 Å²	45	42.3 Å²	42.3	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-41	176.7	-70	-179	-172.4	-68.4	0	111.8	I178 V180 E184 L201 C202 N209	I178-K205 HydrophobicContact CD1-CB 4.5Å; I178-K205 HydrophobicContact CG2-CD 4.07Å; V180-K205 HydrophobicContact CG2-CD 4.12Å; E184-K205 WeakPolarHBondContact OE1-CE 3.38Å; E184-K205 IonicContact OE1-NZ 2.66Å; E184-K205 PolarHBondContact OE1-NZ 3.27Å; E184-K205 IonicContact OE2-NZ 3.57Å; E184-K205 PolarHBondContact OE2-NZ 3.05Å; L201-K205 WeakPolarHBondContact O-CG 3.17Å; L201-K205 PolarHBondContact O-N 2.86Å; C202-K205 PolarHBondContact O-N 3.04Å; K205-N209 PolarHBondContact O-N 3.09Å
206	L	98.7	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-40.6	178.4	-69.3	166.6	0	0	0	112	A124 L149 C151 C202 A203 D204 W214 I217	A124-L206 HydrophobicContact CB-CD1 4.22Å; A124-L206 HydrophobicContact CB-CD2 4.26Å; L149-L206 HydrophobicContact CB-CD2 4.1Å; L149-L206 HydrophobicContact CD2-CB 4.29Å; L149-L206 HydrophobicContact CD2-CD2 3.51Å; L149-L206 HydrophobicContact CD2-CG 4.5Å; L149-L206 HydrophobicContact CG-CD2 3.47Å; L149-L206 VanDerWaalsContact CG-CD2 3.47Å; C151-L206 HydrophobicContact CB-CD1 3.83Å; C151-L206 HydrophobicContact CB-CD2 3.81Å; C151-L206 HydrophobicContact CB-CG 3.65Å; C202-L206 WeakPolarHBondContact O-CB 3.3Å; C202-L206 WeakPolarHBondContact O-CD1 3.48Å; C202-L206 WeakPolarHBondContact O-CG 3.46Å; C202-L206 PolarHBondContact O-N 3.22Å; A203-L206 PolarHBondContact O-N 3.02Å; D204-L206 VanDerWaalsContact C-N 3.32Å; D204-L206 PolarHBondContact O-N 3.02Å; L206-W214 HydrophobicContact CB-CZ2 4.18Å; L206-W214 PolarHBondContact O-NE1 2.91Å; L206-I217 HydrophobicContact CD1-CD1 3.32Å; L206-I217 HydrophobicContact CD1-CG1 3.98Å
207	L	97.9	Very high	98	Very high	18 Å²	18	41.6 Å²	41.6	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-39.9	179.4	-175.2	72	0	0	0	111.8	A203 D204 N209 W214 R280 I283 Q284 K287	A203-L207 VanDerWaalsContact O-CB 3.23Å; A203-L207 WeakPolarHBondContact O-CB 3.42Å; A203-L207 PolarHBondContact O-N 3.24Å; D204-L207 PolarHBondContact O-N 2.95Å; L207-N209 VanDerWaalsContact C-N 3.28Å; L207-N209 PolarHBondContact O-N 3.41Å; L207-W214 HydrophobicContact CB-CZ2 4.25Å; L207-W214 HydrophobicContact CD1-CH2 4.38Å; L207-W214 HydrophobicContact CD1-CZ2 4.14Å; L207-R280 HydrophobicContact CD1-CG 3.93Å; L207-R280 PolarHBondContact O-NH2 3.16Å; L207-I283 HydrophobicContact CB-CG2 4.19Å; L207-I283 HydrophobicContact CD1-CG2 4.23Å; L207-I283 HydrophobicContact CD2-CG2 4.18Å; L207-I283 HydrophobicContact CG-CG2 4.42Å; L207-Q284 HydrophobicContact CD1-CG 3.55Å; L207-Q284 HydrophobicContact CD2-CG 3.94Å; L207-Q284 HydrophobicContact CG-CG 4.32Å; L207-K287 HydrophobicContact CD2-CD 3.6Å
208	N	97.6	Very high	98	Very high	112 Å²	112	38.1 Å²	38.1	60%	0.599	20%	0.195	S	C	*	.	H	α-helix	trans	-72.5	-21.5	-178.2	-69.7	-6.9	0	0	0	113	D204 T210	D204-N208 VanDerWaalsContact O-CB 3.31Å; D204-N208 WeakPolarHBondContact O-CB 3.26Å; D204-N208 PolarHBondContact O-N 2.73Å; D204-N208 PolarHBondContact O-ND2 3.4Å; D204-N208 PolarHBondContact O-OD1 2.8Å; N208-T210 PolarHBondContact O-N 3.49Å
209	N	97.2	Very high	98	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.193	20%	0.195	C	C	.	.			trans	-76	111.8	168.9	-170.5	-38.9	0	0	0	109.3	L149 K205 L207 D211 Y212	L149-N209 HydrophobicContact CD2-CB 3.79Å; K205-N209 PolarHBondContact O-N 3.09Å; L207-N209 VanDerWaalsContact C-N 3.28Å; L207-N209 PolarHBondContact O-N 3.41Å; N209-D211 WeakPolarHBondContact OD1-CB 3.4Å; N209-D211 PolarHBondContact OD1-N 3.38Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.38Å
210	T	95.2	Very high	97.9	Very high	99 Å²	99	38.2 Å²	38.2	61%	0.607	20%	0.195	S	C	*	.			trans	-98.2	-5.2	-177.8	57.1	0	0	0	0	113.4	N208 Y212	N208-T210 PolarHBondContact O-N 3.49Å; T210-Y212 PolarHBondContact O-N 3.4Å
211	D	96.5	Very high	97.7	Very high	135 Å²	135	38.4 Å²	38.4	72%	0.722	20%	0.197	S	C	*	.	S	Bend	trans	-66.9	-25.8	173.5	-55.1	-34.4	0	0	0	111	N209	N209-D211 WeakPolarHBondContact OD1-CB 3.4Å; N209-D211 PolarHBondContact OD1-N 3.38Å
212	Y	96.5	Very high	97.3	Very high	52 Å²	52	36.9 Å²	36.9	20%	0.204	19%	0.189	C	C	.	.			trans	-118.1	103.8	-179.2	-59.3	-96.5	0	0	0	110.7	H147 L149 N176 N209 T210 W214 R280	H147-Y212 WeakPolarHBondContact O-CD1 3.28Å; L149-Y212 HydrophobicContact CB-CD1 4.49Å; L149-Y212 HydrophobicContact CB-CG 4.1Å; L149-Y212 HydrophobicContact CD1-CD2 3.64Å; L149-Y212 HydrophobicContact CD1-CE2 4.08Å; L149-Y212 HydrophobicContact CD1-CG 3.95Å; L149-Y212 HydrophobicContact CG-CD2 4.48Å; L149-Y212 HydrophobicContact CG-CG 4.42Å; N176-Y212 HydrophobicContact CB-CD1 4.48Å; N176-Y212 HydrophobicContact CB-CE1 3.64Å; N176-Y212 HydrophobicContact CB-CE2 4.23Å; N176-Y212 WeakPolarHBondContact CB-OH 3.5Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.38Å; T210-Y212 PolarHBondContact O-N 3.4Å; Y212-W214 VanDerWaalsContact O-CD1 3.24Å; Y212-W214 PolarHBondContact O-N 2.93Å; Y212-R280 PolarHBondContact O-NH1 3.3Å
213	M	96.6	Very high	97.1	Very high	108 Å²	108	37.4 Å²	37.4	53%	0.532	19%	0.192	S	C	.	.			trans	-84.4	57	179.7	-64.5	-58.2	-69.9	0	0	112.2
214	W	98.5	Very high	97.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.192	C	C	.	.			trans	-59.8	149.6	179.3	56.6	-100.8	0	0	0	112.9	P122 A124 L206 L207 Y212 I217 R280 I283	P122-W214 HydrophobicContact CB-CB 4.35Å; P122-W214 CarbonylContact O-C 3.57Å; P122-W214 WeakPolarHBondContact O-CA 3.44Å; P122-W214 WeakPolarHBondContact O-CB 3.31Å; A124-W214 HydrophobicContact CB-CB 3.99Å; A124-W214 HydrophobicContact CB-CD2 3.54Å; A124-W214 HydrophobicContact CB-CE3 3.97Å; A124-W214 HydrophobicContact CB-CG 3.54Å; L206-W214 HydrophobicContact CB-CZ2 4.18Å; L206-W214 PolarHBondContact O-NE1 2.91Å; L207-W214 HydrophobicContact CB-CZ2 4.25Å; L207-W214 HydrophobicContact CD1-CH2 4.38Å; L207-W214 HydrophobicContact CD1-CZ2 4.14Å; Y212-W214 VanDerWaalsContact O-CD1 3.24Å; Y212-W214 PolarHBondContact O-N 2.93Å; W214-I217 HydrophobicContact CE3-CB 4.49Å; W214-I217 HydrophobicContact CH2-CB 4.34Å; W214-I217 HydrophobicContact CZ3-CB 4Å; W214-I217 HydrophobicContact CZ3-CG2 4.28Å; W214-R280 HydrophobicContact CD2-CG 4.44Å; W214-R280 HydrophobicContact CE3-CB 3.71Å; W214-R280 HydrophobicContact CE3-CG 4.04Å; W214-R280 HydrophobicContact CH2-CB 3.84Å; W214-R280 HydrophobicContact CH2-CG 3.64Å; W214-R280 HydrophobicContact CZ2-CG 4.07Å; W214-R280 HydrophobicContact CZ3-CB 3.33Å; W214-R280 HydrophobicContact CZ3-CG 3.65Å; W214-R280 WeakPolarHBondContact O-CD 3.28Å; W214-I283 HydrophobicContact CH2-CB 4.1Å; W214-I283 HydrophobicContact CH2-CG1 4.07Å; W214-I283 HydrophobicContact CH2-CG2 4.11Å
215	K	98.7	Very high	97	Very high	84 Å²	84	35 Å²	35	37%	0.365	18%	0.179	S	C	.	.	S	Bend	trans	-98.5	-38.1	-174.8	-56.7	-54.1	-176.9	-173.9	0	112.6	F121 P122 R280	F121-K215 HydrophobicContact CD1-CB 4.14Å; F121-K215 HydrophobicContact CD1-CG 4.23Å; F121-K215 HydrophobicContact CD2-CB 4.32Å; F121-K215 HydrophobicContact CD2-CG 3.85Å; F121-K215 HydrophobicContact CE1-CB 3.75Å; F121-K215 HydrophobicContact CE1-CG 4.27Å; F121-K215 HydrophobicContact CE2-CB 3.95Å; F121-K215 HydrophobicContact CE2-CG 3.89Å; F121-K215 HydrophobicContact CG-CB 4.42Å; F121-K215 HydrophobicContact CG-CG 4.03Å; F121-K215 HydrophobicContact CZ-CB 3.66Å; F121-K215 HydrophobicContact CZ-CG 4.11Å; P122-K215 PolarHBondContact O-N 3.48Å; K215-R280 PolarHBondContact O-N 3.42Å
216	Y	98.9	Very high	97	Very high	8 Å²	8	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.8	179.2	-80.2	-97.6	0	0	0	111	F121 A124 L237 I240 G242 S243 A277 L278 K279	F121-Y216 AromaticContact CE1-CD2 3.87Å; F121-Y216 HydrophobicContact CE1-CD2 3.87Å; F121-Y216 HydrophobicContact CE1-CE2 4.43Å; F121-Y216 AromaticContact CZ-CD2 3.73Å; F121-Y216 HydrophobicContact CZ-CD2 3.73Å; F121-Y216 AromaticContact CZ-CE2 3.86Å; F121-Y216 HydrophobicContact CZ-CE2 3.86Å; A124-Y216 PolarHBondContact N-O 3.21Å; Y216-L237 HydrophobicContact CD1-CD2 3.89Å; Y216-L237 HydrophobicContact CD2-CB 4.25Å; Y216-L237 HydrophobicContact CD2-CD2 4.45Å; Y216-L237 HydrophobicContact CE1-CD2 4.2Å; Y216-L237 HydrophobicContact CE2-CB 4.47Å; Y216-L237 HydrophobicContact CG-CD1 4.21Å; Y216-L237 HydrophobicContact CG-CD2 4.02Å; Y216-I240 HydrophobicContact CE1-CD1 4.12Å; Y216-G242 VanDerWaalsContact OH-CA 3.22Å; Y216-G242 WeakPolarHBondContact OH-CA 3.49Å; Y216-G242 PolarHBondContact OH-O 2.9Å; Y216-S243 VanDerWaalsContact CE1-O 3.27Å; Y216-S243 WeakPolarHBondContact CE1-O 3.46Å; Y216-S243 PolarHBondContact OH-O 2.89Å; Y216-A277 HydrophobicContact CD1-CB 4.29Å; Y216-L278 CarbonylContact C-O 3.51Å; Y216-L278 VanDerWaalsContact CA-O 3.24Å; Y216-L278 WeakPolarHBondContact CA-O 3.24Å; Y216-L278 VanDerWaalsContact CD1-C 3.48Å; Y216-K279 HydrophobicContact CD1-CB 4.4Å; Y216-K279 HydrophobicContact CE1-CB 3.92Å
217	I	98.8	Very high	97	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.7	166.3	-173.8	176.9	0	0	0	109.8	A124 F199 A203 L206 W214 A277 L278 I283	A124-I217 HydrophobicContact CB-CB 4.08Å; A124-I217 HydrophobicContact CB-CG1 4.12Å; A124-I217 CarbonylContact O-C 3.58Å; A124-I217 VanDerWaalsContact O-CA 3.3Å; A124-I217 WeakPolarHBondContact O-CA 3.35Å; F199-I217 HydrophobicContact CE2-CD1 3.87Å; F199-I217 HydrophobicContact CE2-CG1 4.36Å; F199-I217 HydrophobicContact CZ-CD1 4.08Å; F199-I217 HydrophobicContact CZ-CG2 4.23Å; A203-I217 HydrophobicContact CB-CD1 4.14Å; L206-I217 HydrophobicContact CD1-CD1 3.32Å; L206-I217 HydrophobicContact CD1-CG1 3.98Å; W214-I217 HydrophobicContact CE3-CB 4.49Å; W214-I217 HydrophobicContact CH2-CB 4.34Å; W214-I217 HydrophobicContact CZ3-CB 4Å; W214-I217 HydrophobicContact CZ3-CG2 4.28Å; I217-A277 CarbonylContact O-C 3.5Å; I217-A277 WeakPolarHBondContact O-CA 3.24Å; I217-L278 HydrophobicContact CG2-CB 3.83Å; I217-L278 PolarHBondContact N-O 3.33Å; I217-L278 PolarHBondContact O-N 2.94Å; I217-I283 HydrophobicContact CG2-CD1 3.78Å; I217-I283 HydrophobicContact CG2-CG1 3.65Å
218	L	98.8	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.2	172.5	-59.2	91.5	0	0	0	108.9	L123 A124 F125 S126 L233 L237 M276 A277 F379 F380	L123-L218 HydrophobicContact CB-CD1 4.27Å; L123-L218 HydrophobicContact CD1-CD1 4.2Å; L123-L218 HydrophobicContact CD2-CD1 4.48Å; A124-L218 PolarHBondContact O-N 3.23Å; F125-L218 CarbonylContact C-O 3.27Å; F125-L218 VanDerWaalsContact CA-O 3.29Å; F125-L218 WeakPolarHBondContact CA-O 3.3Å; F125-L218 HydrophobicContact CD1-CB 4.08Å; F125-L218 HydrophobicContact CE1-CB 4.19Å; F125-L218 HydrophobicContact CE1-CD1 4.15Å; F125-L218 HydrophobicContact CZ-CD1 4.38Å; S126-L218 PolarHBondContact N-O 3.04Å; L218-L233 HydrophobicContact CD2-CD2 4.38Å; L218-L237 HydrophobicContact CD1-CD1 4.23Å; L218-M276 WeakPolarHBondContact CA-O 3.22Å; L218-A277 HydrophobicContact CD2-CB 4.21Å; L218-A277 HydrophobicContact CG-CB 3.96Å; L218-F379 HydrophobicContact CD2-CD2 4.08Å; L218-F380 HydrophobicContact CD2-CE2 4.14Å
219	N	98.1	Very high	97	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.8	171	64.6	-45.6	0	0	0	110.5	S126 F199 F274 Y275 M276 R344	S126-N219 CarbonylContact O-C 3.48Å; S126-N219 VanDerWaalsContact O-CA 3.26Å; S126-N219 WeakPolarHBondContact O-CA 3.16Å; F199-N219 HydrophobicContact CD2-CB 3.63Å; F199-N219 HydrophobicContact CE2-CB 3.78Å; N219-F274 WeakPolarHBondContact ND2-CD1 3.28Å; N219-F274 WeakPolarHBondContact ND2-CE1 3.02Å; N219-F274 PolarHBondContact ND2-O 2.63Å; N219-F274 PolarHBondContact OD1-O 2.89Å; N219-Y275 WeakPolarHBondContact OD1-CA 3.49Å; N219-M276 PolarHBondContact OD1-N 3.2Å; N219-M276 PolarHBondContact OD1-O 2.89Å; N219-R344 PolarHBondContact O-NH2 2.87Å
220	V	97.6	Very high	97	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.2	-176.9	-170.1	0	0	0	0	108.4	F125 S126 I127 A128 L139 E224 F380	F125-V220 HydrophobicContact CD1-CG2 4.07Å; S126-V220 PolarHBondContact O-N 3.43Å; I127-V220 VanDerWaalsContact CA-O 3.3Å; I127-V220 WeakPolarHBondContact CA-O 3.36Å; A128-V220 PolarHBondContact N-O 3.17Å; L139-V220 HydrophobicContact CD1-CG1 4.28Å; L139-V220 HydrophobicContact CD2-CG1 3.9Å; V220-E224 WeakPolarHBondContact CA-OE2 3.36Å; V220-E224 HydrophobicContact CG1-CB 3.99Å; V220-F380 HydrophobicContact CG1-CD1 4.07Å; V220-F380 HydrophobicContact CG1-CE1 3.97Å; V220-F380 HydrophobicContact CG2-CD1 4.43Å; V220-F380 HydrophobicContact CG2-CE1 3.89Å; V220-F380 HydrophobicContact CG2-CE2 4.24Å; V220-F380 HydrophobicContact CG2-CZ 3.8Å
221	N	93.4	Very high	97.1	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	158.3	168.4	75.4	76.6	0	0	0	111.4	A128 Q223 E224 Y275 N382	A128-N221 WeakPolarHBondContact O-CA 3.49Å; N221-Q223 PolarHBondContact O-N 3.22Å; N221-Q223 WeakPolarHBondContact OD1-CA 3.37Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.21Å; N221-Q223 PolarHBondContact OD1-N 2.8Å; N221-E224 PolarHBondContact N-OE2 3.49Å; N221-E224 WeakPolarHBondContact ND2-CG 3.31Å; N221-E224 PolarHBondContact ND2-OE1 3.28Å; N221-E224 PolarHBondContact ND2-OE2 2.96Å; N221-E224 VanDerWaalsContact ND2-OE2 3.14Å; N221-E224 PolarHBondContact O-N 2.96Å; N221-E224 VanDerWaalsContact O-N 3.1Å; N221-Y275 WeakPolarHBondContact ND2-CE1 3.38Å; N221-Y275 VanDerWaalsContact ND2-CZ 3.34Å; N221-Y275 PolarHBondContact ND2-OH 2.99Å; N221-N382 PolarHBondContact ND2-ND2 3.43Å
222	G	91.1	Very high	97.2	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.031	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-3.6	-176.6	0	0	0	0	0	116.7	A128 I129 Q135	A128-G222 PolarHBondContact O-N 3.27Å; A128-G222 VanDerWaalsContact O-N 3.16Å; I129-G222 VanDerWaalsContact CD1-CA 3.43Å; Q135-G222 VanDerWaalsContact CB-O 3.26Å; Q135-G222 WeakPolarHBondContact CB-O 3.24Å
223	Q	94.9	Very high	97.3	Very high	11 Å²	11	13.8 Å²	13.8	5%	0.051	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.6	-180	-68.7	176.7	-40.3	0	0	112.8	N221 K383 F384	N221-Q223 PolarHBondContact O-N 3.22Å; N221-Q223 WeakPolarHBondContact OD1-CA 3.37Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.21Å; N221-Q223 PolarHBondContact OD1-N 2.8Å; Q223-K383 HydrophobicContact CB-CB 4.24Å; Q223-K383 WeakPolarHBondContact O-CA 3.25Å; Q223-K383 WeakPolarHBondContact O-CB 3.36Å; Q223-F384 WeakPolarHBondContact CB-O 3.37Å; Q223-F384 PolarHBondContact O-N 2.96Å
224	E	97	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	155.9	175.3	-65.8	178.7	133.4	0	0	111.1	V220 N221 R344 V381 N382	V220-E224 WeakPolarHBondContact CA-OE2 3.36Å; V220-E224 HydrophobicContact CG1-CB 3.99Å; N221-E224 PolarHBondContact N-OE2 3.49Å; N221-E224 WeakPolarHBondContact ND2-CG 3.31Å; N221-E224 PolarHBondContact ND2-OE1 3.28Å; N221-E224 PolarHBondContact ND2-OE2 2.96Å; N221-E224 VanDerWaalsContact ND2-OE2 3.14Å; N221-E224 PolarHBondContact O-N 2.96Å; N221-E224 VanDerWaalsContact O-N 3.1Å; E224-R344 WeakPolarHBondContact OE1-CD 3.18Å; E224-R344 IonicContact OE1-CZ 2.62Å; E224-R344 IonicContact OE1-NE 2.71Å; E224-R344 PolarHBondContact OE1-NE 3.08Å; E224-R344 IonicContact OE1-NH2 2.7Å; E224-R344 IonicContact OE2-CZ 3.14Å; E224-R344 IonicContact OE2-NE 3.26Å; E224-R344 PolarHBondContact OE2-NE 3.45Å; E224-R344 IonicContact OE2-NH2 3.29Å; E224-R344 PolarHBondContact OE2-NH2 3.45Å; E224-V381 WeakPolarHBondContact CA-O 3.45Å; E224-V381 WeakPolarHBondContact CB-O 3.29Å; E224-N382 HydrophobicContact CG-CB 4.23Å; E224-N382 WeakPolarHBondContact CG-ND2 3.09Å; E224-N382 WeakPolarHBondContact OE1-CB 3.28Å; E224-N382 PolarHBondContact OE1-ND2 3.02Å
225	L	97.3	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.4	167.3	-66.4	-179.3	0	0	0	110.6	L142 F380 V381 F384 Y393 T396	L142-L225 HydrophobicContact CD1-CD2 3.36Å; L225-F380 CarbonylContact O-C 3.59Å; L225-F380 VanDerWaalsContact O-CA 3.23Å; L225-F380 WeakPolarHBondContact O-CA 3.48Å; L225-F380 WeakPolarHBondContact O-CB 3.4Å; L225-V381 HydrophobicContact CB-CG1 4.24Å; L225-V381 PolarHBondContact N-O 2.9Å; L225-V381 WeakPolarHBondContact O-CG1 3.26Å; L225-V381 PolarHBondContact O-N 3.41Å; L225-F384 HydrophobicContact CB-CD2 4.41Å; L225-F384 HydrophobicContact CB-CE2 3.88Å; L225-F384 HydrophobicContact CD1-CD2 3.98Å; L225-F384 HydrophobicContact CD1-CE2 3.64Å; L225-F384 HydrophobicContact CD1-CZ 3.99Å; L225-F384 HydrophobicContact CG-CD2 3.89Å; L225-F384 HydrophobicContact CG-CE2 3.75Å; L225-Y393 HydrophobicContact CD1-CD1 3.69Å; L225-Y393 HydrophobicContact CD1-CD2 3.9Å; L225-Y393 HydrophobicContact CD1-CE1 3.74Å; L225-Y393 HydrophobicContact CD1-CE2 3.94Å; L225-Y393 HydrophobicContact CD1-CG 3.79Å; L225-Y393 HydrophobicContact CD2-CD1 4.46Å; L225-Y393 HydrophobicContact CD2-CE1 3.66Å; L225-Y393 HydrophobicContact CD2-CE2 3.7Å; L225-Y393 WeakPolarHBondContact CD2-OH 3.11Å; L225-Y393 HydrophobicContact CG-CD2 4.3Å; L225-Y393 HydrophobicContact CG-CE1 4.22Å; L225-Y393 HydrophobicContact CG-CE2 3.91Å; L225-T396 HydrophobicContact CB-CG2 4.1Å; L225-T396 HydrophobicContact CD1-CG2 3.85Å
226	P	98	Very high	97.4	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.013	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.9	170.8	27.6	-32.6	0	0	0	110.8	L142 I143 F380 I400	L142-P226 HydrophobicContact CB-CG 3.75Å; L142-P226 HydrophobicContact CD1-CG 4.48Å; L142-P226 HydrophobicContact CG-CG 4.5Å; I143-P226 HydrophobicContact CG2-CB 4.37Å; I143-P226 HydrophobicContact CG2-CG 3.96Å; P226-F380 VanDerWaalsContact CA-CD1 3.47Å; P226-F380 HydrophobicContact CB-CD1 3.98Å; P226-F380 HydrophobicContact CB-CE1 3.78Å; P226-F380 HydrophobicContact CB-CZ 4.29Å; P226-F380 HydrophobicContact CG-CE1 4.41Å; P226-I400 HydrophobicContact CG-CG1 4.33Å
227	L	98	Very high	97.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	S	Bend	trans	-103.5	-4	167.1	-66.1	-179.9	0	0	0	111.8	I373 R376 E378 F379 V381 T396	L227-I373 HydrophobicContact CD2-CD1 3.99Å; L227-I373 HydrophobicContact CD2-CG2 3.88Å; L227-R376 HydrophobicContact CD1-CB 3.66Å; L227-R376 HydrophobicContact CD1-CG 4.03Å; L227-E378 WeakPolarHBondContact CB-O 3.23Å; L227-F379 PolarHBondContact N-O 2.9Å; L227-V381 HydrophobicContact CD1-CB 3.91Å; L227-V381 HydrophobicContact CD1-CG1 4.41Å; L227-V381 HydrophobicContact CD2-CB 4.11Å; L227-V381 HydrophobicContact CD2-CG1 3.74Å; L227-V381 HydrophobicContact CG-CB 3.96Å; L227-V381 HydrophobicContact CG-CG1 3.92Å; L227-T396 HydrophobicContact CD2-CG2 4.25Å
228	R	97.9	Very high	97.3	Very high	7 Å²	7	9.2 Å²	9.2	3%	0.026	4%	0.043	C	C	.	.	S	Bend	trans	-129.4	140.3	-179.7	-66.1	-60.3	-178.6	-114.5	19.5	110.9	E232 L233 R376 M377 E378 F379 Y422	R228-E232 VanDerWaalsContact CA-OE2 3.25Å; R228-E232 WeakPolarHBondContact CA-OE2 3.45Å; R228-E232 HydrophobicContact CB-CB 3.92Å; R228-E232 VanDerWaalsContact CD-OE2 3.26Å; R228-E232 WeakPolarHBondContact CD-OE2 3.23Å; R228-E232 HydrophobicContact CG-CB 4.44Å; R228-L233 HydrophobicContact CB-CD2 3.89Å; R228-L233 HydrophobicContact CB-CG 4.06Å; R228-R376 PolarHBondContact NH1-O 2.88Å; R228-R376 PolarHBondContact NH2-O 3.28Å; R228-M377 PolarHBondContact NH2-SD 3.07Å; R228-E378 WeakPolarHBondContact CG-O 3.43Å; R228-F379 HydrophobicContact CG-CD1 4.42Å; R228-F379 PolarHBondContact N-O 2.98Å; R228-Y422 PolarHBondContact NE-OH 3.42Å
229	T	97.3	Very high	97.3	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.012	5%	0.051	C	C	.	.			trans	-68.7	164.8	176	69.2	0	0	0	0	108.8	W231 E232 L233 I400 K403 V404 E407	T229-W231 PolarHBondContact O-N 2.72Å; T229-W231 PolarHBondContact OG1-N 2.83Å; T229-E232 PolarHBondContact N-OE2 3.43Å; T229-E232 PolarHBondContact O-N 3.35Å; T229-E232 WeakPolarHBondContact OG1-CB 3.28Å; T229-E232 VanDerWaalsContact OG1-CG 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.38Å; T229-E232 PolarHBondContact OG1-N 3.48Å; T229-L233 WeakPolarHBondContact O-CG 3.18Å; T229-L233 PolarHBondContact O-N 2.66Å; T229-I400 HydrophobicContact CG2-CD1 3.62Å; T229-I400 VanDerWaalsContact N-CD1 3.35Å; T229-K403 HydrophobicContact CG2-CB 3.7Å; T229-V404 HydrophobicContact CG2-CG2 3.64Å; T229-E407 VanDerWaalsContact CB-OE2 3.26Å; T229-E407 WeakPolarHBondContact CB-OE2 3.31Å; T229-E407 WeakPolarHBondContact CG2-OE1 3.31Å; T229-E407 WeakPolarHBondContact CG2-OE2 3.46Å; T229-E407 VanDerWaalsContact OG1-CD 3.25Å; T229-E407 PolarHBondContact OG1-OE1 3.01Å; T229-E407 PolarHBondContact OG1-OE2 3.29Å
230	N	97.8	Very high	97.3	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-60.4	-36.1	174.9	-177.3	85.4	0	0	0	111.4	E118 R145 N148 L233 V234	E118-N230 VanDerWaalsContact CG-ND2 3.34Å; E118-N230 WeakPolarHBondContact CG-ND2 3.43Å; E118-N230 VanDerWaalsContact OE1-CB 3.26Å; E118-N230 WeakPolarHBondContact OE1-CB 3.44Å; E118-N230 PolarHBondContact OE1-ND2 3.37Å; R145-N230 HydrophobicContact CG-CB 3.97Å; N148-N230 PolarHBondContact ND2-OD1 3.41Å; N230-L233 PolarHBondContact O-N 3.04Å; N230-V234 VanDerWaalsContact O-CG2 3.3Å; N230-V234 WeakPolarHBondContact O-CG2 3.07Å; N230-V234 PolarHBondContact O-N 3.29Å
231	W	97.8	Very high	97.3	Very high	32 Å²	32	15.3 Å²	15.3	12%	0.121	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-44.3	174.1	-165	-2.2	0	0	0	112	E117 E118 T229 L233 V234 A235 E407 L413	E117-W231 PolarHBondContact OE2-NE1 3.1Å; E118-W231 HydrophobicContact CG-CB 3.87Å; E118-W231 HydrophobicContact CG-CG 4.16Å; E118-W231 PolarHBondContact OE1-N 2.88Å; E118-W231 VanDerWaalsContact OE1-N 3.17Å; T229-W231 PolarHBondContact O-N 2.72Å; T229-W231 PolarHBondContact OG1-N 2.83Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 3.41Å; W231-V234 WeakPolarHBondContact O-CB 3.4Å; W231-V234 PolarHBondContact O-N 3.21Å; W231-A235 WeakPolarHBondContact O-CB 3.41Å; W231-A235 PolarHBondContact O-N 3.47Å; W231-E407 HydrophobicContact CE3-CB 3.97Å; W231-E407 HydrophobicContact CE3-CG 4.38Å; W231-E407 HydrophobicContact CZ3-CB 4.19Å; W231-L413 HydrophobicContact CB-CD2 4.04Å; W231-L413 HydrophobicContact CD2-CD2 3.81Å; W231-L413 HydrophobicContact CD2-CG 4.27Å; W231-L413 HydrophobicContact CE3-CD2 4.5Å; W231-L413 HydrophobicContact CG-CD2 3.56Å; W231-L413 HydrophobicContact CG-CG 4.43Å
232	E	98.1	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-38.5	174.3	-72.5	179.4	136.3	0	0	112.8	R228 T229 A235 A236 K403 L413 F417	R228-E232 VanDerWaalsContact CA-OE2 3.25Å; R228-E232 WeakPolarHBondContact CA-OE2 3.45Å; R228-E232 HydrophobicContact CB-CB 3.92Å; R228-E232 VanDerWaalsContact CD-OE2 3.26Å; R228-E232 WeakPolarHBondContact CD-OE2 3.23Å; R228-E232 HydrophobicContact CG-CB 4.44Å; T229-E232 PolarHBondContact N-OE2 3.43Å; T229-E232 PolarHBondContact O-N 3.35Å; T229-E232 WeakPolarHBondContact OG1-CB 3.28Å; T229-E232 VanDerWaalsContact OG1-CG 3.3Å; T229-E232 WeakPolarHBondContact OG1-CG 3.38Å; T229-E232 PolarHBondContact OG1-N 3.48Å; E232-A235 PolarHBondContact O-N 2.89Å; E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.16Å; E232-A236 PolarHBondContact O-N 3.5Å; E232-K403 VanDerWaalsContact OE1-CE 3.24Å; E232-K403 WeakPolarHBondContact OE1-CE 3.41Å; E232-K403 IonicContact OE1-NZ 2.57Å; E232-K403 PolarHBondContact OE1-NZ 3.42Å; E232-K403 IonicContact OE2-NZ 2.83Å; E232-K403 PolarHBondContact OE2-NZ 3.21Å; E232-L413 HydrophobicContact CG-CD2 3.93Å; E232-F417 HydrophobicContact CB-CD2 4Å; E232-F417 HydrophobicContact CB-CE1 4.24Å; E232-F417 HydrophobicContact CB-CE2 3.66Å; E232-F417 HydrophobicContact CB-CG 4.45Å; E232-F417 HydrophobicContact CB-CZ 3.79Å; E232-F417 HydrophobicContact CG-CB 4.4Å; E232-F417 HydrophobicContact CG-CD1 4.07Å; E232-F417 HydrophobicContact CG-CD2 3.67Å; E232-F417 HydrophobicContact CG-CE1 4.22Å; E232-F417 HydrophobicContact CG-CE2 3.88Å; E232-F417 HydrophobicContact CG-CG 3.78Å; E232-F417 HydrophobicContact CG-CZ 4.15Å; E232-F417 VanDerWaalsContact O-CZ 3.22Å; E232-F417 WeakPolarHBondContact O-CZ 3.36Å; E232-F417 WeakPolarHBondContact OE1-CB 3.44Å; E232-F417 VanDerWaalsContact OE1-CD2 3.22Å; E232-F417 WeakPolarHBondContact OE1-CD2 3.3Å; E232-F417 WeakPolarHBondContact OE1-CG 3.46Å
233	L	98.6	Very high	97.8	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-46.2	173.4	-69.8	174.7	0	0	0	110.8	L123 F125 L218 R228 T229 N230 W231 A236 L237 F379 F380	L123-L233 HydrophobicContact CD1-CB 3.87Å; L123-L233 HydrophobicContact CD1-CD1 4.41Å; F125-L233 HydrophobicContact CE1-CD1 4.48Å; F125-L233 HydrophobicContact CZ-CD1 4.33Å; L218-L233 HydrophobicContact CD2-CD2 4.38Å; R228-L233 HydrophobicContact CB-CD2 3.89Å; R228-L233 HydrophobicContact CB-CG 4.06Å; T229-L233 WeakPolarHBondContact O-CG 3.18Å; T229-L233 PolarHBondContact O-N 2.66Å; N230-L233 PolarHBondContact O-N 3.04Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 3.41Å; L233-A236 PolarHBondContact O-N 2.89Å; L233-L237 VanDerWaalsContact O-CB 3.28Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 WeakPolarHBondContact O-CD1 3.36Å; L233-L237 WeakPolarHBondContact O-CG 3.48Å; L233-L237 PolarHBondContact O-N 2.83Å; L233-F379 HydrophobicContact CD2-CB 3.58Å; L233-F379 HydrophobicContact CD2-CD1 3.6Å; L233-F379 HydrophobicContact CD2-CD2 4.14Å; L233-F379 HydrophobicContact CD2-CE1 4.28Å; L233-F379 HydrophobicContact CD2-CG 3.51Å; L233-F380 HydrophobicContact CD1-CE2 4.32Å; L233-F380 HydrophobicContact CD1-CZ 4.4Å; L233-F380 HydrophobicContact CD2-CE2 4.47Å
234	V	98.6	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60	-49.2	176.2	166	0	0	0	0	110.9	E117 E118 F121 L123 N230 W231 A236 L237 K238	E117-V234 HydrophobicContact CG-CG1 3.93Å; E118-V234 HydrophobicContact CG-CG2 4.25Å; F121-V234 HydrophobicContact CB-CG1 3.63Å; F121-V234 HydrophobicContact CB-CG2 4.36Å; F121-V234 HydrophobicContact CD1-CB 4.38Å; F121-V234 HydrophobicContact CD1-CG1 4Å; F121-V234 HydrophobicContact CD1-CG2 4.13Å; F121-V234 HydrophobicContact CG-CG1 3.96Å; L123-V234 HydrophobicContact CD1-CG2 4.13Å; L123-V234 HydrophobicContact CD2-CG2 4.48Å; L123-V234 HydrophobicContact CG-CG2 4.19Å; N230-V234 VanDerWaalsContact O-CG2 3.3Å; N230-V234 WeakPolarHBondContact O-CG2 3.07Å; N230-V234 PolarHBondContact O-N 3.29Å; W231-V234 WeakPolarHBondContact O-CB 3.4Å; W231-V234 PolarHBondContact O-N 3.21Å; V234-A236 PolarHBondContact O-N 3.07Å; V234-L237 PolarHBondContact O-N 3.01Å; V234-K238 HydrophobicContact CG1-CD 3.93Å; V234-K238 WeakPolarHBondContact O-CB 3.17Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 3.38Å
235	A	98.4	Very high	98	Very high	6 Å²	6	15.6 Å²	15.6	5%	0.05	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-43.1	179.8	0	0	0	0	0	111.8	W231 E232 K238 A239 L413 F417	W231-A235 WeakPolarHBondContact O-CB 3.41Å; W231-A235 PolarHBondContact O-N 3.47Å; E232-A235 PolarHBondContact O-N 2.89Å; A235-K238 PolarHBondContact O-N 2.87Å; A235-A239 WeakPolarHBondContact O-CB 3.38Å; A235-A239 PolarHBondContact O-N 2.86Å; A235-L413 HydrophobicContact CB-CD1 3.81Å; A235-L413 HydrophobicContact CB-CD2 4.44Å; A235-F417 HydrophobicContact CB-CE1 3.76Å; A235-F417 HydrophobicContact CB-CZ 4.39Å
236	A	98.5	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-44.9	174.4	0	0	0	0	0	112.3	E232 L233 V234 K238 A239 I240 F379 F417 Y422	E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.16Å; E232-A236 PolarHBondContact O-N 3.5Å; L233-A236 PolarHBondContact O-N 2.89Å; V234-A236 PolarHBondContact O-N 3.07Å; A236-K238 VanDerWaalsContact C-N 3.32Å; A236-K238 PolarHBondContact O-N 3.19Å; A236-A239 WeakPolarHBondContact O-CB 3.23Å; A236-A239 PolarHBondContact O-N 3.23Å; A236-A239 VanDerWaalsContact O-N 3.12Å; A236-I240 PolarHBondContact O-N 2.78Å; A236-F379 HydrophobicContact CB-CE1 3.66Å; A236-F379 HydrophobicContact CB-CZ 4.12Å; A236-F417 HydrophobicContact CB-CZ 4.11Å; A236-Y422 HydrophobicContact CB-CD1 3.73Å; A236-Y422 HydrophobicContact CB-CD2 3.84Å; A236-Y422 HydrophobicContact CB-CE1 3.89Å; A236-Y422 HydrophobicContact CB-CE2 3.99Å; A236-Y422 HydrophobicContact CB-CG 3.7Å
237	L	98.7	Very high	97.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-70.9	-27.4	-178.8	-70.4	168.7	0	0	0	112.8	F121 L123 Y216 L218 L233 V234 I240 V245 A277 F379	F121-L237 HydrophobicContact CE1-CB 3.83Å; F121-L237 HydrophobicContact CZ-CB 4.19Å; L123-L237 HydrophobicContact CD1-CD1 4.2Å; L123-L237 HydrophobicContact CD2-CD1 3.56Å; Y216-L237 HydrophobicContact CD1-CD2 3.89Å; Y216-L237 HydrophobicContact CD2-CB 4.25Å; Y216-L237 HydrophobicContact CD2-CD2 4.45Å; Y216-L237 HydrophobicContact CE1-CD2 4.2Å; Y216-L237 HydrophobicContact CE2-CB 4.47Å; Y216-L237 HydrophobicContact CG-CD1 4.21Å; Y216-L237 HydrophobicContact CG-CD2 4.02Å; L218-L237 HydrophobicContact CD1-CD1 4.23Å; L233-L237 VanDerWaalsContact O-CB 3.28Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 WeakPolarHBondContact O-CD1 3.36Å; L233-L237 WeakPolarHBondContact O-CG 3.48Å; L233-L237 PolarHBondContact O-N 2.83Å; V234-L237 PolarHBondContact O-N 3.01Å; L237-I240 HydrophobicContact CD2-CD1 3.82Å; L237-I240 VanDerWaalsContact O-CG1 3.24Å; L237-I240 WeakPolarHBondContact O-CG1 3.18Å; L237-V245 HydrophobicContact CD2-CG2 4.38Å; L237-A277 HydrophobicContact CD2-CB 3.78Å; L237-F379 HydrophobicContact CD2-CE2 4.15Å; L237-F379 HydrophobicContact CD2-CZ 4.2Å; L237-F379 HydrophobicContact CG-CZ 4.47Å
238	K	98.5	Very high	97.4	Very high	98 Å²	98	18.7 Å²	18.7	43%	0.426	10%	0.103	S	C	.	.	H	α-helix	trans	-69.9	-41.5	166.7	-72.9	173.5	66.6	-177.7	0	111.2	E117 F121 V234 A235 A236 I240 N241	E117-K238 HydrophobicContact CG-CD 4.47Å; E117-K238 IonicContact OE1-NZ 2.67Å; E117-K238 PolarHBondContact OE1-NZ 2.85Å; F121-K238 HydrophobicContact CD2-CD 4.07Å; F121-K238 HydrophobicContact CD2-CG 3.68Å; F121-K238 HydrophobicContact CE2-CD 4.47Å; F121-K238 HydrophobicContact CE2-CG 3.59Å; F121-K238 HydrophobicContact CG-CD 4.39Å; F121-K238 HydrophobicContact CG-CG 4.2Å; F121-K238 HydrophobicContact CZ-CG 4.04Å; V234-K238 HydrophobicContact CG1-CD 3.93Å; V234-K238 WeakPolarHBondContact O-CB 3.17Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 3.38Å; A235-K238 PolarHBondContact O-N 2.87Å; A236-K238 VanDerWaalsContact C-N 3.32Å; A236-K238 PolarHBondContact O-N 3.19Å; K238-I240 VanDerWaalsContact C-N 3.3Å; K238-I240 PolarHBondContact O-N 2.93Å; K238-N241 PolarHBondContact O-N 2.86Å
239	A	98.3	Very high	97.1	Very high	19 Å²	19	21 Å²	21	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-29.3	-178.6	0	0	0	0	0	113.6	A235 A236 N241 V419 S423	A235-A239 WeakPolarHBondContact O-CB 3.38Å; A235-A239 PolarHBondContact O-N 2.86Å; A236-A239 WeakPolarHBondContact O-CB 3.23Å; A236-A239 PolarHBondContact O-N 3.23Å; A236-A239 VanDerWaalsContact O-N 3.12Å; A239-N241 PolarHBondContact O-N 3.29Å; A239-V419 HydrophobicContact CB-CG1 3.75Å; A239-S423 VanDerWaalsContact O-CA 3.31Å; A239-S423 WeakPolarHBondContact O-CA 3.05Å
240	I	97.5	Very high	96.7	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	3.3	173.6	69.3	175.1	0	0	0	114	Y216 A236 L237 K238 G242 S243 V245 L425 S428	Y216-I240 HydrophobicContact CE1-CD1 4.12Å; A236-I240 PolarHBondContact O-N 2.78Å; L237-I240 HydrophobicContact CD2-CD1 3.82Å; L237-I240 VanDerWaalsContact O-CG1 3.24Å; L237-I240 WeakPolarHBondContact O-CG1 3.18Å; K238-I240 VanDerWaalsContact C-N 3.3Å; K238-I240 PolarHBondContact O-N 2.93Å; I240-G242 VanDerWaalsContact C-N 3.31Å; I240-G242 PolarHBondContact O-N 3.07Å; I240-S243 WeakPolarHBondContact CD1-O 3.46Å; I240-S243 WeakPolarHBondContact O-CB 3.45Å; I240-S243 PolarHBondContact O-N 2.77Å; I240-S243 VanDerWaalsContact O-N 3.15Å; I240-S243 PolarHBondContact O-OG 2.98Å; I240-V245 HydrophobicContact CD1-CG2 3.52Å; I240-L425 HydrophobicContact CG2-CD1 4.37Å; I240-S428 WeakPolarHBondContact CA-OG 3.27Å; I240-S428 WeakPolarHBondContact CB-OG 3.45Å; I240-S428 WeakPolarHBondContact CG2-OG 3.36Å; I240-S428 WeakPolarHBondContact O-CA 3.5Å
241	N	97.4	Very high	96.4	Very high	117 Å²	117	23.1 Å²	23.1	63%	0.626	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.3	167	-167.7	40.9	0	0	0	115.1	K238 A239 H431	K238-N241 PolarHBondContact O-N 2.86Å; A239-N241 PolarHBondContact O-N 3.29Å; N241-H431 PolarHBondContact O-CE1 2.86Å; N241-H431 PolarHBondContact O-NE2 3.13Å
242	G	98.1	Very high	96.1	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-0	176.4	0	0	0	0	0	115.5	Y216 I240 K279 G327	Y216-G242 VanDerWaalsContact OH-CA 3.22Å; Y216-G242 WeakPolarHBondContact OH-CA 3.49Å; Y216-G242 PolarHBondContact OH-O 2.9Å; I240-G242 VanDerWaalsContact C-N 3.31Å; I240-G242 PolarHBondContact O-N 3.07Å; G242-K279 WeakPolarHBondContact O-CD 3.29Å; G242-G327 WeakPolarHBondContact O-CA 3.42Å
243	S	97.6	Very high	95.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.176	C	C	.	.			trans	-72.4	162.7	171	82.6	0	0	0	0	111.9	Y216 I240 C427	Y216-S243 VanDerWaalsContact CE1-O 3.27Å; Y216-S243 WeakPolarHBondContact CE1-O 3.46Å; Y216-S243 PolarHBondContact OH-O 2.89Å; I240-S243 WeakPolarHBondContact CD1-O 3.46Å; I240-S243 WeakPolarHBondContact O-CB 3.45Å; I240-S243 PolarHBondContact O-N 2.77Å; I240-S243 VanDerWaalsContact O-N 3.15Å; I240-S243 PolarHBondContact O-OG 2.98Å; S243-C427 WeakPolarHBondContact CB-O 3.17Å
244	N	97.7	Very high	95.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.027	19%	0.19	C	C	.	.			trans	-85.4	160.4	166.8	-58.6	-59.8	0	0	0	111.5	V246 L278 K279 F282 N318 P326 G327	N244-V246 HydrophobicContact CB-CG2 3.93Å; N244-L278 HydrophobicContact CB-CD2 4.12Å; N244-K279 WeakPolarHBondContact OD1-CB 3.3Å; N244-K279 PolarHBondContact OD1-N 3.48Å; N244-F282 VanDerWaalsContact ND2-CD2 3.33Å; N244-F282 WeakPolarHBondContact ND2-CD2 3.1Å; N244-N318 WeakPolarHBondContact CB-OD1 3.38Å; N244-N318 PolarHBondContact ND2-OD1 3.09Å; N244-N318 VanDerWaalsContact ND2-OD1 3.14Å; N244-P326 PolarHBondContact ND2-O 2.79Å; N244-G327 PolarHBondContact N-O 3.26Å; N244-G327 VanDerWaalsContact ND2-C 3.26Å; N244-G327 PolarHBondContact ND2-O 3.39Å
245	V	97.2	Very high	95.5	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-105.2	95.4	167.2	-175	0	0	0	0	108.4	L237 I240 M276 A277 I342 A343 F379	L237-V245 HydrophobicContact CD2-CG2 4.38Å; I240-V245 HydrophobicContact CD1-CG2 3.52Å; V245-M276 VanDerWaalsContact O-CA 3.24Å; V245-M276 WeakPolarHBondContact O-CA 3.44Å; V245-M276 WeakPolarHBondContact O-CB 3.37Å; V245-A277 HydrophobicContact CB-CB 3.88Å; V245-A277 HydrophobicContact CG2-CB 4Å; V245-A277 PolarHBondContact N-O 3.32Å; V245-A277 PolarHBondContact O-N 3.02Å; V245-I342 HydrophobicContact CG1-CD1 4.07Å; V245-I342 HydrophobicContact CG1-CG1 3.5Å; V245-I342 HydrophobicContact CG2-CD1 4.04Å; V245-I342 HydrophobicContact CG2-CG1 4.4Å; V245-A343 HydrophobicContact CG1-CB 3.89Å; V245-F379 HydrophobicContact CG1-CE2 4.45Å; V245-F379 HydrophobicContact CG2-CE2 4.07Å; V245-F379 HydrophobicContact CG2-CZ 4.38Å
246	V	96.2	Very high	95.4	Very high	15 Å²	15	50.6 Å²	50.6	9%	0.091	25%	0.249	C	C	.	.			trans	-138	131.7	179.7	-174.4	0	0	0	0	108.5	N244 M276 L278 P315 N318	N244-V246 HydrophobicContact CB-CG2 3.93Å; V246-M276 HydrophobicContact CG1-CG 4.31Å; V246-M276 HydrophobicContact CG1-SD 4.1Å; V246-M276 HydrophobicContact CG2-CB 4.35Å; V246-M276 HydrophobicContact CG2-CG 4.11Å; V246-M276 HydrophobicContact CG2-SD 4.06Å; V246-L278 HydrophobicContact CG2-CD2 3.39Å; V246-P315 HydrophobicContact CG1-CB 4.13Å; V246-P315 HydrophobicContact CG1-CG 3.91Å; V246-N318 HydrophobicContact CB-CB 4.01Å; V246-N318 HydrophobicContact CG1-CB 4.09Å; V246-N318 HydrophobicContact CG2-CB 4.01Å
247	E	94.3	Very high	95.4	Very high	40 Å²	40	53.1 Å²	53.1	19%	0.187	26%	0.259	C	S	.	.			trans	-71.8	136.8	173.4	-173.4	-174.2	-114.6	0	0	110	L249 K271 G272 S273 F341	E247-L249 HydrophobicContact CG-CD2 3.83Å; E247-L249 HydrophobicContact CG-CG 4.14Å; E247-K271 IonicContact OE2-NZ 2.73Å; E247-K271 PolarHBondContact OE2-NZ 3.22Å; E247-G272 VanDerWaalsContact O-CA 3.24Å; E247-G272 WeakPolarHBondContact O-CA 3.16Å; E247-G272 WeakPolarHBondContact OE2-CA 3.25Å; E247-S273 PolarHBondContact OE2-N 3.3Å; E247-F341 HydrophobicContact CB-CB 4.47Å; E247-F341 HydrophobicContact CB-CD2 3.57Å; E247-F341 HydrophobicContact CB-CE2 3.84Å; E247-F341 HydrophobicContact CB-CG 3.97Å; E247-F341 HydrophobicContact CB-CZ 4.44Å; E247-F341 HydrophobicContact CG-CB 4.37Å; E247-F341 HydrophobicContact CG-CD2 4.36Å; E247-F341 HydrophobicContact CG-CG 4.3Å
248	G	91	Very high	95.3	Very high	12 Å²	12	55.9 Å²	55.9	12%	0.124	27%	0.269	C	S	.	.			trans	-129.3	101.5	171.5	0	0	0	0	0	111.8	N270 H319 L337	G248-N270 WeakPolarHBondContact CA-OD1 3.32Å; G248-H319 VanDerWaalsContact CA-NE2 3.34Å; G248-H319 WeakPolarHBondContact CA-NE2 3.38Å; G248-H319 PolarHBondContact N-NE2 3.24Å; G248-L337 VanDerWaalsContact O-CD2 3.24Å; G248-L337 WeakPolarHBondContact O-CD2 3.41Å
249	L	90.7	Very high	95.3	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.288	25%	0.252	S	S	.	.			trans	-87.5	-12	173.8	-56	-163.8	0	0	0	112.7	E247 F253 N270 K271	E247-L249 HydrophobicContact CG-CD2 3.83Å; E247-L249 HydrophobicContact CG-CG 4.14Å; L249-F253 HydrophobicContact CB-CD2 3.71Å; L249-F253 HydrophobicContact CB-CE2 3.85Å; L249-F253 WeakPolarHBondContact O-CD2 3.19Å; L249-F253 WeakPolarHBondContact O-CE2 3.49Å; L249-N270 PolarHBondContact N-OD1 3.24Å; L249-K271 HydrophobicContact CB-CD 4.03Å; L249-K271 WeakPolarHBondContact CB-O 3.44Å; L249-K271 HydrophobicContact CD1-CD 3.53Å; L249-K271 HydrophobicContact CG-CD 3.88Å; L249-K271 PolarHBondContact N-O 3.49Å
250	G	89.7	Confident	95.2	Very high	3 Å²	3	57 Å²	57	3%	0.031	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	86.8	-174.1	175.2	0	0	0	0	0	115.2	R252 N270 K271	G250-R252 VanDerWaalsContact C-N 3.29Å; G250-R252 PolarHBondContact O-N 3.14Å; G250-N270 WeakPolarHBondContact CA-OD1 3.41Å; G250-N270 PolarHBondContact N-OD1 3.49Å; G250-K271 PolarHBondContact O-N 2.02Å
251	P	92.1	Very high	95.2	Very high	48 Å²	48	61.9 Å²	61.9	31%	0.312	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	5.4	-168.3	31.8	-37.9	0	0	0	114.9	R255 W258 V268 W269	P251-R255 PolarHBondContact O-NE 3.35Å; P251-R255 VanDerWaalsContact O-NE 3.12Å; P251-W258 HydrophobicContact CB-CH2 4.09Å; P251-W258 HydrophobicContact CB-CZ2 4.04Å; P251-W258 WeakPolarHBondContact O-CH2 3.41Å; P251-W258 VanDerWaalsContact O-CZ2 3.25Å; P251-W258 WeakPolarHBondContact O-CZ2 3.21Å; P251-V268 HydrophobicContact CB-CG1 4.04Å; P251-V268 HydrophobicContact CG-CG1 3.82Å; P251-W269 WeakPolarHBondContact CA-O 3.35Å; P251-W269 WeakPolarHBondContact CB-O 3.23Å
252	R	92	Very high	95.1	Very high	169 Å²	169	62.6 Å²	62.6	64%	0.638	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-19	-177.7	-59.9	-171.5	-155.8	168.6	10.1	112.8	G250	G250-R252 VanDerWaalsContact C-N 3.29Å; G250-R252 PolarHBondContact O-N 3.14Å
253	F	91.6	Very high	95.1	Very high	103 Å²	103	63.2 Å²	63.2	45%	0.452	31%	0.305	S	S	.	.	S	Bend	trans	-98.3	140.4	-174.1	-61.3	-85.3	0	0	0	111.1	L249 R255 K271	L249-F253 HydrophobicContact CB-CD2 3.71Å; L249-F253 HydrophobicContact CB-CE2 3.85Å; L249-F253 WeakPolarHBondContact O-CD2 3.19Å; L249-F253 WeakPolarHBondContact O-CE2 3.49Å; F253-R255 VanDerWaalsContact C-N 3.34Å; F253-R255 PolarHBondContact O-N 2.95Å; F253-K271 HydrophobicContact CB-CB 3.99Å; F253-K271 HydrophobicContact CB-CD 4.49Å; F253-K271 HydrophobicContact CB-CG 4.31Å
254	N	94.2	Very high	95	Very high	60 Å²	60	71.2 Å²	71.2	32%	0.321	34%	0.343	S	S	.	.			trans	51.7	41.9	167.9	-58.5	-27	0	0	0	115.4	N256 R257	N254-N256 PolarHBondContact O-N 3.48Å; N254-N256 VanDerWaalsContact O-N 3.13Å; N254-R257 HydrophobicContact CB-CB 4.34Å; N254-R257 HydrophobicContact CB-CG 3.94Å; N254-R257 VanDerWaalsContact ND2-CZ 3.31Å; N254-R257 PolarHBondContact ND2-NH1 3.21Å; N254-R257 WeakPolarHBondContact O-CB 3.23Å; N254-R257 PolarHBondContact O-N 3.36Å
255	R	96.1	Very high	94.9	Very high	156 Å²	156	72.3 Å²	72.3	59%	0.589	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.8	-177.9	-59.1	-170.7	177.6	165.6	0.9	113.9	P251 F253 R257 W258	P251-R255 PolarHBondContact O-NE 3.35Å; P251-R255 VanDerWaalsContact O-NE 3.12Å; F253-R255 VanDerWaalsContact C-N 3.34Å; F253-R255 PolarHBondContact O-N 2.95Å; R255-R257 PolarHBondContact O-N 2.66Å; R255-R257 VanDerWaalsContact O-N 3.11Å; R255-W258 HydrophobicContact CB-CD2 4.32Å; R255-W258 HydrophobicContact CB-CE3 4.34Å; R255-W258 HydrophobicContact CB-CH2 4.27Å; R255-W258 HydrophobicContact CB-CZ2 4.2Å; R255-W258 HydrophobicContact CB-CZ3 4.33Å; R255-W258 HydrophobicContact CG-CH2 3.71Å; R255-W258 HydrophobicContact CG-CZ2 3.68Å; R255-W258 HydrophobicContact CG-CZ3 4.2Å; R255-W258 PolarHBondContact O-N 2.83Å
256	N	96.8	Very high	94.8	Very high	131 Å²	131	76.7 Å²	76.7	70%	0.701	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63	-11.5	174.4	64.8	-59.7	0	0	0	113.8	N254	N254-N256 PolarHBondContact O-N 3.48Å; N254-N256 VanDerWaalsContact O-N 3.13Å
257	R	97.1	Very high	94.8	Very high	53 Å²	53	77.6 Å²	77.6	20%	0.2	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-93.2	-5.7	177.9	-64	-171	-168.2	175.5	-2.6	113.8	N254 R255 K307 E311	N254-R257 HydrophobicContact CB-CB 4.34Å; N254-R257 HydrophobicContact CB-CG 3.94Å; N254-R257 VanDerWaalsContact ND2-CZ 3.31Å; N254-R257 PolarHBondContact ND2-NH1 3.21Å; N254-R257 WeakPolarHBondContact O-CB 3.23Å; N254-R257 PolarHBondContact O-N 3.36Å; R255-R257 PolarHBondContact O-N 2.66Å; R255-R257 VanDerWaalsContact O-N 3.11Å; R257-K307 HydrophobicContact CB-CB 4.29Å; R257-K307 VanDerWaalsContact CB-O 3.27Å; R257-K307 WeakPolarHBondContact CB-O 3.37Å; R257-K307 VanDerWaalsContact CD-O 3.31Å; R257-K307 WeakPolarHBondContact CD-O 2.98Å; R257-E311 IonicContact NH1-OE2 2.71Å; R257-E311 PolarHBondContact NH1-OE2 2.95Å
258	W	97.8	Very high	94.8	Very high	58 Å²	58	79.1 Å²	79.1	22%	0.22	39%	0.392	C	S	.	.	S	Bend	trans	-71.5	147.9	179.5	-57.5	-15.5	0	0	0	110.9	P251 R255 W269 K307	P251-W258 HydrophobicContact CB-CH2 4.09Å; P251-W258 HydrophobicContact CB-CZ2 4.04Å; P251-W258 WeakPolarHBondContact O-CH2 3.41Å; P251-W258 VanDerWaalsContact O-CZ2 3.25Å; P251-W258 WeakPolarHBondContact O-CZ2 3.21Å; R255-W258 HydrophobicContact CB-CD2 4.32Å; R255-W258 HydrophobicContact CB-CE3 4.34Å; R255-W258 HydrophobicContact CB-CH2 4.27Å; R255-W258 HydrophobicContact CB-CZ2 4.2Å; R255-W258 HydrophobicContact CB-CZ3 4.33Å; R255-W258 HydrophobicContact CG-CH2 3.71Å; R255-W258 HydrophobicContact CG-CZ2 3.68Å; R255-W258 HydrophobicContact CG-CZ3 4.2Å; R255-W258 PolarHBondContact O-N 2.83Å; W258-W269 HydrophobicContact CB-CD2 4.34Å; W258-W269 HydrophobicContact CB-CG 4.35Å; W258-W269 AromaticContact CD1-CG 3.83Å; W258-W269 HydrophobicContact CD2-CB 3.75Å; W258-W269 AromaticContact CD2-CD1 3.25Å; W258-W269 HydrophobicContact CD2-CD2 4.39Å; W258-W269 AromaticContact CD2-CG 3.52Å; W258-W269 HydrophobicContact CD2-CG 3.52Å; W258-W269 AromaticContact CD2-NE1 3.94Å; W258-W269 AromaticContact CE2-CD1 3.73Å; W258-W269 AromaticContact CE2-CG 3.63Å; W258-W269 HydrophobicContact CE3-CB 4.41Å; W258-W269 AromaticContact CE3-CD1 3.27Å; W258-W269 HydrophobicContact CE3-CG 4.02Å; W258-W269 AromaticContact CE3-NE1 3.89Å; W258-W269 HydrophobicContact CG-CB 4.09Å; W258-W269 AromaticContact CG-CD1 3.67Å; W258-W269 HydrophobicContact CG-CD2 4.08Å; W258-W269 AromaticContact CG-CG 3.68Å; W258-W269 HydrophobicContact CG-CG 3.68Å; W258-W269 HydrophobicContact CH2-CB 4.21Å; W258-W269 HydrophobicContact CZ2-CB 3.54Å; W258-W269 HydrophobicContact CZ2-CG 4.17Å; W258-W269 AromaticContact CZ3-CD1 3.73Å; W258-W269 AromaticContact NE1-CG 3.84Å; W258-K307 PolarHBondContact O-NZ 2.77Å
259	P	97.4	Very high	95	Very high	12 Å²	12	79.6 Å²	79.6	8%	0.078	39%	0.39	C	S	.	.			trans	-55.4	141.8	168	-25.6	34.5	0	0	0	111.4	K261 W269 A298 I299 E302	P259-K261 PolarHBondContact O-N 2.92Å; P259-W269 HydrophobicContact CB-CH2 4.39Å; P259-W269 HydrophobicContact CB-CZ2 4.47Å; P259-W269 VanDerWaalsContact CD-CH2 3.48Å; P259-W269 HydrophobicContact CG-CH2 3.66Å; P259-W269 HydrophobicContact CG-CZ2 4.12Å; P259-W269 HydrophobicContact CG-CZ3 4.31Å; P259-A298 HydrophobicContact CB-CB 3.9Å; P259-A298 HydrophobicContact CG-CB 4.33Å; P259-I299 HydrophobicContact CG-CG1 3.68Å; P259-E302 WeakPolarHBondContact CA-OE2 3.24Å
260	N	96.8	Very high	95.2	Very high	128 Å²	128	77.3 Å²	77.3	68%	0.684	38%	0.378	S	S	*	.	S	Bend	trans	-74.4	-17.9	178.8	-64.5	-15.8	0	0	0	112.2	T262 E302 K307	N260-T262 PolarHBondContact O-N 2.89Å; N260-E302 WeakPolarHBondContact CB-OE1 3.38Å; N260-E302 PolarHBondContact N-OE1 2.83Å; N260-K307 PolarHBondContact OD1-NZ 2.85Å
261	K	96.5	Very high	95.4	Very high	105 Å²	105	79 Å²	79	46%	0.457	38%	0.384	S	S	.	.			trans	-62.9	131.7	-179.4	-174.7	175.1	-177.1	175.7	0	111.4	P259 F263 A298	P259-K261 PolarHBondContact O-N 2.92Å; K261-F263 HydrophobicContact CB-CE2 4.46Å; K261-F263 WeakPolarHBondContact O-CD2 2.99Å; K261-F263 WeakPolarHBondContact O-CE2 2.97Å; K261-A298 HydrophobicContact CB-CB 3.95Å; K261-A298 HydrophobicContact CD-CB 3.78Å; K261-A298 HydrophobicContact CG-CB 4.44Å
262	T	95.9	Very high	95.5	Very high	132 Å²	132	76.7 Å²	76.7	81%	0.81	37%	0.369	S	S	*	.			trans	-82.4	142.5	168.7	-53.9	0	0	0	0	110.7	N260	N260-T262 PolarHBondContact O-N 2.89Å
263	F	97.5	Very high	95.6	Very high	29 Å²	29	69.5 Å²	69.5	13%	0.127	35%	0.345	C	S	.	.			trans	-111.6	146.5	-179.5	-63.2	-92.1	0	0	0	111	K261 F265 I267 W269 K294 I295 A298	K261-F263 HydrophobicContact CB-CE2 4.46Å; K261-F263 WeakPolarHBondContact O-CD2 2.99Å; K261-F263 WeakPolarHBondContact O-CE2 2.97Å; F263-F265 HydrophobicContact CB-CD1 4.45Å; F263-F265 HydrophobicContact CB-CD2 4.38Å; F263-F265 HydrophobicContact CB-CE1 4.27Å; F263-F265 HydrophobicContact CB-CE2 4.19Å; F263-F265 HydrophobicContact CB-CZ 4.14Å; F263-F265 HydrophobicContact CD1-CE1 4.02Å; F263-F265 HydrophobicContact CD1-CE2 4.14Å; F263-F265 AromaticContact CD1-CZ 3.54Å; F263-F265 HydrophobicContact CD1-CZ 3.54Å; F263-F265 HydrophobicContact CE1-CZ 4.34Å; F263-F265 HydrophobicContact CG-CE2 4.35Å; F263-F265 HydrophobicContact CG-CZ 4.15Å; F263-F265 PolarHBondContact O-N 2.84Å; F263-I267 HydrophobicContact CD2-CG2 4.23Å; F263-W269 HydrophobicContact CD2-CZ2 4.41Å; F263-W269 AromaticContact CE2-CH2 3.99Å; F263-W269 HydrophobicContact CE2-CH2 3.99Å; F263-W269 AromaticContact CE2-CZ2 3.68Å; F263-W269 HydrophobicContact CE2-CZ2 3.68Å; F263-W269 HydrophobicContact CZ-CH2 4.24Å; F263-W269 HydrophobicContact CZ-CZ2 4.39Å; F263-K294 HydrophobicContact CE1-CB 4.35Å; F263-I295 HydrophobicContact CD1-CG1 4.4Å; F263-I295 HydrophobicContact CE1-CB 4.39Å; F263-I295 HydrophobicContact CE1-CG1 3.86Å; F263-I295 HydrophobicContact CZ-CG1 4.17Å; F263-A298 HydrophobicContact CE1-CB 4.26Å; F263-A298 HydrophobicContact CZ-CB 3.61Å
264	E	96	Very high	95.9	Very high	171 Å²	171	65.9 Å²	65.9	80%	0.799	33%	0.329	S	S	*	.	S	Bend	trans	-75.1	-0.8	177.2	-62.2	156.8	170.4	0	0	113	K294	E264-K294 IonicContact OE2-NZ 3.76Å; E264-K294 PolarHBondContact OE2-NZ 3.39Å
265	F	96.5	Very high	96	Very high	28 Å²	28	65.4 Å²	65.4	12%	0.123	32%	0.323	C	S	.	.	S	Bend	trans	-132.7	152.2	-178.1	53	-96.9	0	0	0	110.4	F263 I267 K291 K294 I295 F323	F263-F265 HydrophobicContact CB-CD1 4.45Å; F263-F265 HydrophobicContact CB-CD2 4.38Å; F263-F265 HydrophobicContact CB-CE1 4.27Å; F263-F265 HydrophobicContact CB-CE2 4.19Å; F263-F265 HydrophobicContact CB-CZ 4.14Å; F263-F265 HydrophobicContact CD1-CE1 4.02Å; F263-F265 HydrophobicContact CD1-CE2 4.14Å; F263-F265 AromaticContact CD1-CZ 3.54Å; F263-F265 HydrophobicContact CD1-CZ 3.54Å; F263-F265 HydrophobicContact CE1-CZ 4.34Å; F263-F265 HydrophobicContact CG-CE2 4.35Å; F263-F265 HydrophobicContact CG-CZ 4.15Å; F263-F265 PolarHBondContact O-N 2.84Å; F265-I267 PolarHBondContact O-N 2.9Å; F265-K291 HydrophobicContact CD1-CG 4Å; F265-K291 HydrophobicContact CD2-CB 4.4Å; F265-K291 HydrophobicContact CD2-CD 4.18Å; F265-K291 HydrophobicContact CD2-CG 4.24Å; F265-K291 HydrophobicContact CE1-CB 4.03Å; F265-K291 HydrophobicContact CE1-CG 3.91Å; F265-K291 HydrophobicContact CE2-CB 3.86Å; F265-K291 HydrophobicContact CE2-CD 4.44Å; F265-K291 HydrophobicContact CE2-CG 4.16Å; F265-K291 HydrophobicContact CG-CD 4.22Å; F265-K291 HydrophobicContact CG-CG 4.16Å; F265-K291 HydrophobicContact CZ-CB 3.64Å; F265-K291 HydrophobicContact CZ-CG 3.98Å; F265-K294 HydrophobicContact CE1-CB 4.34Å; F265-K294 HydrophobicContact CE1-CD 3.88Å; F265-K294 HydrophobicContact CZ-CB 4.35Å; F265-I295 HydrophobicContact CE2-CD1 4.2Å; F265-I295 HydrophobicContact CE2-CG1 4.32Å; F265-I295 HydrophobicContact CZ-CD1 4.49Å; F265-I295 HydrophobicContact CZ-CG1 4.24Å; F265-F323 AromaticContact CD2-CE1 3.96Å; F265-F323 HydrophobicContact CD2-CE1 3.96Å; F265-F323 HydrophobicContact CD2-CZ 4.33Å; F265-F323 HydrophobicContact CE2-CE1 4.12Å; F265-F323 HydrophobicContact CE2-CZ 4.13Å
266	P	95.4	Very high	96.1	Very high	102 Å²	102	58 Å²	58	66%	0.662	30%	0.296	S	S	*	.			trans	-68.3	132.3	-179.3	27.6	-34.6	0	0	0	111.4	Q322	P266-Q322 PolarHBondContact O-NE2 3.25Å
267	I	95.5	Very high	96.2	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.179	26%	0.262	C	S	.	.			trans	-133.9	130.1	177.4	-175.6	168.9	0	0	0	109.7	F263 F265 W269 I295 T316 F323	F263-I267 HydrophobicContact CD2-CG2 4.23Å; F265-I267 PolarHBondContact O-N 2.9Å; I267-W269 HydrophobicContact CD1-CD2 4.09Å; I267-W269 HydrophobicContact CD1-CE3 3.96Å; I267-W269 HydrophobicContact CD1-CH2 3.65Å; I267-W269 HydrophobicContact CD1-CZ2 3.8Å; I267-W269 HydrophobicContact CD1-CZ3 3.73Å; I267-W269 HydrophobicContact CG1-CD2 4.38Å; I267-I295 HydrophobicContact CD1-CD1 3.58Å; I267-I295 HydrophobicContact CD1-CG1 3.82Å; I267-T316 HydrophobicContact CD1-CG2 3.8Å; I267-T316 HydrophobicContact CG1-CG2 3.84Å; I267-F323 HydrophobicContact CB-CZ 4.32Å; I267-F323 HydrophobicContact CD1-CZ 4.49Å; I267-F323 HydrophobicContact CG1-CZ 4.14Å
268	V	94.7	Very high	96.3	Very high	72 Å²	72	49.3 Å²	49.3	44%	0.436	25%	0.253	S	S	.	.			trans	-106.4	100.8	169	-177.8	0	0	0	0	107.6	P251 N270 N320	P251-V268 HydrophobicContact CB-CG1 4.04Å; P251-V268 HydrophobicContact CG-CG1 3.82Å; V268-N270 PolarHBondContact O-N 2.92Å; V268-N320 PolarHBondContact N-OD1 3.37Å; V268-N320 PolarHBondContact O-ND2 3.36Å
269	W	95.4	Very high	96.3	Very high	21 Å²	21	49 Å²	49	8%	0.08	25%	0.253	C	S	.	.			trans	-56.4	138.9	176	-65.2	110.3	0	0	0	111.4	P251 W258 P259 F263 I267 I295 L312 T316	P251-W269 WeakPolarHBondContact CA-O 3.35Å; P251-W269 WeakPolarHBondContact CB-O 3.23Å; W258-W269 HydrophobicContact CB-CD2 4.34Å; W258-W269 HydrophobicContact CB-CG 4.35Å; W258-W269 AromaticContact CD1-CG 3.83Å; W258-W269 HydrophobicContact CD2-CB 3.75Å; W258-W269 AromaticContact CD2-CD1 3.25Å; W258-W269 HydrophobicContact CD2-CD2 4.39Å; W258-W269 AromaticContact CD2-CG 3.52Å; W258-W269 HydrophobicContact CD2-CG 3.52Å; W258-W269 AromaticContact CD2-NE1 3.94Å; W258-W269 AromaticContact CE2-CD1 3.73Å; W258-W269 AromaticContact CE2-CG 3.63Å; W258-W269 HydrophobicContact CE3-CB 4.41Å; W258-W269 AromaticContact CE3-CD1 3.27Å; W258-W269 HydrophobicContact CE3-CG 4.02Å; W258-W269 AromaticContact CE3-NE1 3.89Å; W258-W269 HydrophobicContact CG-CB 4.09Å; W258-W269 AromaticContact CG-CD1 3.67Å; W258-W269 HydrophobicContact CG-CD2 4.08Å; W258-W269 AromaticContact CG-CG 3.68Å; W258-W269 HydrophobicContact CG-CG 3.68Å; W258-W269 HydrophobicContact CH2-CB 4.21Å; W258-W269 HydrophobicContact CZ2-CB 3.54Å; W258-W269 HydrophobicContact CZ2-CG 4.17Å; W258-W269 AromaticContact CZ3-CD1 3.73Å; W258-W269 AromaticContact NE1-CG 3.84Å; P259-W269 HydrophobicContact CB-CH2 4.39Å; P259-W269 HydrophobicContact CB-CZ2 4.47Å; P259-W269 VanDerWaalsContact CD-CH2 3.48Å; P259-W269 HydrophobicContact CG-CH2 3.66Å; P259-W269 HydrophobicContact CG-CZ2 4.12Å; P259-W269 HydrophobicContact CG-CZ3 4.31Å; F263-W269 HydrophobicContact CD2-CZ2 4.41Å; F263-W269 AromaticContact CE2-CH2 3.99Å; F263-W269 HydrophobicContact CE2-CH2 3.99Å; F263-W269 AromaticContact CE2-CZ2 3.68Å; F263-W269 HydrophobicContact CE2-CZ2 3.68Å; F263-W269 HydrophobicContact CZ-CH2 4.24Å; F263-W269 HydrophobicContact CZ-CZ2 4.39Å; I267-W269 HydrophobicContact CD1-CD2 4.09Å; I267-W269 HydrophobicContact CD1-CE3 3.96Å; I267-W269 HydrophobicContact CD1-CH2 3.65Å; I267-W269 HydrophobicContact CD1-CZ2 3.8Å; I267-W269 HydrophobicContact CD1-CZ3 3.73Å; I267-W269 HydrophobicContact CG1-CD2 4.38Å; W269-I295 HydrophobicContact CH2-CG2 4.11Å; W269-I295 HydrophobicContact CZ3-CG2 4.02Å; W269-L312 HydrophobicContact CB-CD1 4.26Å; W269-L312 HydrophobicContact CD2-CD1 4.47Å; W269-L312 HydrophobicContact CE3-CD1 3.81Å; W269-L312 HydrophobicContact CE3-CD2 3.87Å; W269-L312 HydrophobicContact CE3-CG 3.89Å; W269-L312 HydrophobicContact CZ3-CD2 3.95Å; W269-L312 HydrophobicContact CZ3-CG 4.21Å; W269-T316 HydrophobicContact CE3-CG2 3.88Å; W269-T316 HydrophobicContact CZ3-CG2 4.26Å
270	N	94.3	Very high	96.3	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	25%	0.253	C	S	.	.			trans	-131.3	124.8	-178.5	-154.1	-49.6	0	0	0	109.9	G248 L249 G250 V268 P315 T316 H319	G248-N270 WeakPolarHBondContact CA-OD1 3.32Å; L249-N270 PolarHBondContact N-OD1 3.24Å; G250-N270 WeakPolarHBondContact CA-OD1 3.41Å; G250-N270 PolarHBondContact N-OD1 3.49Å; V268-N270 PolarHBondContact O-N 2.92Å; N270-P315 HydrophobicContact CB-CB 4.38Å; N270-P315 WeakPolarHBondContact O-CB 3.36Å; N270-T316 PolarHBondContact N-OG1 2.78Å; N270-T316 PolarHBondContact O-OG1 3.46Å; N270-H319 HydrophobicContact CB-CB 4.21Å; N270-H319 WeakPolarHBondContact ND2-CB 3.49Å
271	K	94.3	Very high	96.4	Very high	38 Å²	38	47 Å²	47	17%	0.165	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-82.4	135.5	169.8	179.7	-92.6	157.3	-164.9	0	109.1	E247 L249 G250 F253 E311	E247-K271 IonicContact OE2-NZ 2.73Å; E247-K271 PolarHBondContact OE2-NZ 3.22Å; L249-K271 HydrophobicContact CB-CD 4.03Å; L249-K271 WeakPolarHBondContact CB-O 3.44Å; L249-K271 HydrophobicContact CD1-CD 3.53Å; L249-K271 HydrophobicContact CG-CD 3.88Å; L249-K271 PolarHBondContact N-O 3.49Å; G250-K271 PolarHBondContact O-N 2.02Å; F253-K271 HydrophobicContact CB-CB 3.99Å; F253-K271 HydrophobicContact CB-CD 4.49Å; F253-K271 HydrophobicContact CB-CG 4.31Å; K271-E311 WeakPolarHBondContact CA-O 3.46Å
272	G	94.3	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.			trans	-148.2	179.3	172.8	0	0	0	0	0	112.3	E247 E311	E247-G272 VanDerWaalsContact O-CA 3.24Å; E247-G272 WeakPolarHBondContact O-CA 3.16Å; E247-G272 WeakPolarHBondContact OE2-CA 3.25Å; G272-E311 PolarHBondContact N-O 3.37Å; G272-E311 WeakPolarHBondContact O-CA 3.49Å; G272-E311 VanDerWaalsContact O-CB 3.26Å; G272-E311 WeakPolarHBondContact O-CB 3.29Å
273	S	94.6	Very high	96.6	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	18%	0.178	C	C	.	.			trans	-74.7	142.9	168.3	178.8	0	0	0	0	109.9	E247 Y275 F341	E247-S273 PolarHBondContact OE2-N 3.3Å; S273-Y275 VanDerWaalsContact C-N 3.26Å; S273-Y275 PolarHBondContact O-N 2.86Å; S273-Y275 PolarHBondContact OG-N 2.86Å; S273-F341 WeakPolarHBondContact OG-CE1 3.35Å; S273-F341 VanDerWaalsContact OG-CZ 3.3Å; S273-F341 WeakPolarHBondContact OG-CZ 3.26Å
274	F	96.1	Very high	96.6	Very high	26 Å²	26	38.4 Å²	38.4	11%	0.114	19%	0.191	C	C	.	.	S	Bend	trans	-70.1	-22.5	172.8	178.2	-127.8	0	0	0	112.8	I195 F199 N219 M276 D310	I195-F274 HydrophobicContact CG2-CD1 3.87Å; I195-F274 HydrophobicContact CG2-CE1 3.44Å; I195-F274 VanDerWaalsContact CG2-CE1 3.44Å; I195-F274 HydrophobicContact CG2-CE2 4.46Å; I195-F274 HydrophobicContact CG2-CZ 3.74Å; F199-F274 HydrophobicContact CB-CE2 3.96Å; F199-F274 HydrophobicContact CB-CZ 3.63Å; F199-F274 HydrophobicContact CG-CE2 4.32Å; F199-F274 HydrophobicContact CG-CZ 4.3Å; N219-F274 WeakPolarHBondContact ND2-CD1 3.28Å; N219-F274 WeakPolarHBondContact ND2-CE1 3.02Å; N219-F274 PolarHBondContact ND2-O 2.63Å; N219-F274 PolarHBondContact OD1-O 2.89Å; F274-M276 HydrophobicContact CD2-CE 4.19Å; F274-M276 WeakPolarHBondContact O-CE 3.27Å; F274-M276 PolarHBondContact O-N 2.83Å; F274-D310 HydrophobicContact CB-CB 4.17Å; F274-D310 HydrophobicContact CD1-CB 4.42Å; F274-D310 HydrophobicContact CD2-CB 3.54Å; F274-D310 WeakPolarHBondContact CD2-O 3.06Å; F274-D310 HydrophobicContact CE2-CB 3.88Å; F274-D310 HydrophobicContact CG-CB 3.81Å; F274-D310 HydrophobicContact CZ-CB 4.43Å
275	Y	97.2	Very high	96.8	Very high	50 Å²	50	31.4 Å²	31.4	20%	0.196	16%	0.158	C	C	.	.			trans	-81.4	119.5	-178.4	-57.9	-68.5	0	0	0	110.7	N219 N221 S273 F341 A343 R344 N382	N219-Y275 WeakPolarHBondContact OD1-CA 3.49Å; N221-Y275 WeakPolarHBondContact ND2-CE1 3.38Å; N221-Y275 VanDerWaalsContact ND2-CZ 3.34Å; N221-Y275 PolarHBondContact ND2-OH 2.99Å; S273-Y275 VanDerWaalsContact C-N 3.26Å; S273-Y275 PolarHBondContact O-N 2.86Å; S273-Y275 PolarHBondContact OG-N 2.86Å; Y275-F341 WeakPolarHBondContact O-CE2 3.44Å; Y275-F341 WeakPolarHBondContact O-CZ 3.35Å; Y275-A343 WeakPolarHBondContact O-CB 3.38Å; Y275-R344 HydrophobicContact CD2-CG 3.75Å; Y275-R344 HydrophobicContact CG-CG 3.62Å; Y275-N382 PolarHBondContact OH-ND2 3.17Å
276	M	97.9	Very high	96.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.153	C	C	.	.			trans	-140.6	166.8	-167.3	-59.6	170.7	-72.7	0	0	110.8	L218 N219 V245 V246 F274 L278 F314	L218-M276 WeakPolarHBondContact CA-O 3.22Å; N219-M276 PolarHBondContact OD1-N 3.2Å; N219-M276 PolarHBondContact OD1-O 2.89Å; V245-M276 VanDerWaalsContact O-CA 3.24Å; V245-M276 WeakPolarHBondContact O-CA 3.44Å; V245-M276 WeakPolarHBondContact O-CB 3.37Å; V246-M276 HydrophobicContact CG1-CG 4.31Å; V246-M276 HydrophobicContact CG1-SD 4.1Å; V246-M276 HydrophobicContact CG2-CB 4.35Å; V246-M276 HydrophobicContact CG2-CG 4.11Å; V246-M276 HydrophobicContact CG2-SD 4.06Å; F274-M276 HydrophobicContact CD2-CE 4.19Å; F274-M276 WeakPolarHBondContact O-CE 3.27Å; F274-M276 PolarHBondContact O-N 2.83Å; M276-L278 HydrophobicContact CB-CD2 4Å; M276-L278 HydrophobicContact CB-CG 4.02Å; M276-L278 HydrophobicContact CE-CD1 4.06Å; M276-L278 HydrophobicContact SD-CD1 4.17Å; M276-L278 HydrophobicContact SD-CD2 4.05Å; M276-L278 HydrophobicContact SD-CG 4.36Å; M276-F314 HydrophobicContact CE-CB 3.9Å; M276-F314 HydrophobicContact CE-CD2 3.56Å; M276-F314 HydrophobicContact CE-CE2 4.39Å; M276-F314 HydrophobicContact CE-CG 3.96Å; M276-F314 HydrophobicContact SD-CB 3.38Å; M276-F314 WeakPolarHBondContact SD-CB 3.29Å; M276-F314 HydrophobicContact SD-CD2 4.25Å; M276-F314 HydrophobicContact SD-CG 4.05Å
277	A	98.5	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.1	156.2	0	0	0	0	0	108.1	Y216 I217 L218 L237 V245 F379	Y216-A277 HydrophobicContact CD1-CB 4.29Å; I217-A277 CarbonylContact O-C 3.5Å; I217-A277 WeakPolarHBondContact O-CA 3.24Å; L218-A277 HydrophobicContact CD2-CB 4.21Å; L218-A277 HydrophobicContact CG-CB 3.96Å; L237-A277 HydrophobicContact CD2-CB 3.78Å; V245-A277 HydrophobicContact CB-CB 3.88Å; V245-A277 HydrophobicContact CG2-CB 4Å; V245-A277 PolarHBondContact N-O 3.32Å; V245-A277 PolarHBondContact O-N 3.02Å; A277-F379 HydrophobicContact CB-CE2 4.21Å
278	L	98.7	Very high	96.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.7	-174.3	-58.2	-179.2	0	0	0	110.3	F199 Y216 I217 N244 V246 M276 F282 I283 F314	F199-L278 HydrophobicContact CE1-CD1 4.21Å; F199-L278 HydrophobicContact CZ-CD1 3.94Å; Y216-L278 CarbonylContact C-O 3.51Å; Y216-L278 VanDerWaalsContact CA-O 3.24Å; Y216-L278 WeakPolarHBondContact CA-O 3.24Å; Y216-L278 VanDerWaalsContact CD1-C 3.48Å; I217-L278 HydrophobicContact CG2-CB 3.83Å; I217-L278 PolarHBondContact N-O 3.33Å; I217-L278 PolarHBondContact O-N 2.94Å; N244-L278 HydrophobicContact CB-CD2 4.12Å; V246-L278 HydrophobicContact CG2-CD2 3.39Å; M276-L278 HydrophobicContact CB-CD2 4Å; M276-L278 HydrophobicContact CB-CG 4.02Å; M276-L278 HydrophobicContact CE-CD1 4.06Å; M276-L278 HydrophobicContact SD-CD1 4.17Å; M276-L278 HydrophobicContact SD-CD2 4.05Å; M276-L278 HydrophobicContact SD-CG 4.36Å; L278-F282 HydrophobicContact CB-CD1 4.22Å; L278-F282 HydrophobicContact CD1-CD1 4.12Å; L278-F282 HydrophobicContact CD1-CE1 4.17Å; L278-F282 HydrophobicContact CD2-CD1 3.96Å; L278-F282 HydrophobicContact CD2-CE1 3.87Å; L278-F282 HydrophobicContact CG-CD1 4.33Å; L278-I283 HydrophobicContact CB-CD1 4.11Å; L278-I283 HydrophobicContact CB-CG1 4.35Å; L278-I283 HydrophobicContact CD1-CD1 3.85Å; L278-F314 HydrophobicContact CD1-CD1 3.83Å; L278-F314 HydrophobicContact CD1-CD2 4.35Å; L278-F314 HydrophobicContact CD1-CE1 3.97Å; L278-F314 HydrophobicContact CD1-CG 3.99Å; L278-F314 HydrophobicContact CD1-CZ 4.32Å
279	K	98.3	Very high	97	Very high	53 Å²	53	30.4 Å²	30.4	23%	0.23	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.8	174.7	179.1	170.1	-177	-175	0	110.5	Y216 G242 N244 E281 F282 I283	Y216-K279 HydrophobicContact CD1-CB 4.4Å; Y216-K279 HydrophobicContact CE1-CB 3.92Å; G242-K279 WeakPolarHBondContact O-CD 3.29Å; N244-K279 WeakPolarHBondContact OD1-CB 3.3Å; N244-K279 PolarHBondContact OD1-N 3.48Å; K279-E281 VanDerWaalsContact C-N 3.27Å; K279-E281 WeakPolarHBondContact CE-OE2 3.24Å; K279-E281 HydrophobicContact CG-CB 4.39Å; K279-E281 WeakPolarHBondContact CG-OE2 3.45Å; K279-E281 PolarHBondContact O-N 3.13Å; K279-F282 HydrophobicContact CB-CB 4.36Å; K279-F282 VanDerWaalsContact O-CB 3.29Å; K279-F282 WeakPolarHBondContact O-CB 3.13Å; K279-F282 PolarHBondContact O-N 3.4Å; K279-I283 PolarHBondContact O-N 2.96Å
280	R	98.5	Very high	97.1	Very high	17 Å²	17	34.4 Å²	34.4	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-55.3	-41.5	-179.7	-178.3	166.6	178.9	118.1	3.2	113.2	L207 Y212 W214 K215 F282 I283 Q284	L207-R280 HydrophobicContact CD1-CG 3.93Å; L207-R280 PolarHBondContact O-NH2 3.16Å; Y212-R280 PolarHBondContact O-NH1 3.3Å; W214-R280 HydrophobicContact CD2-CG 4.44Å; W214-R280 HydrophobicContact CE3-CB 3.71Å; W214-R280 HydrophobicContact CE3-CG 4.04Å; W214-R280 HydrophobicContact CH2-CB 3.84Å; W214-R280 HydrophobicContact CH2-CG 3.64Å; W214-R280 HydrophobicContact CZ2-CG 4.07Å; W214-R280 HydrophobicContact CZ3-CB 3.33Å; W214-R280 HydrophobicContact CZ3-CG 3.65Å; W214-R280 WeakPolarHBondContact O-CD 3.28Å; K215-R280 PolarHBondContact O-N 3.42Å; R280-F282 VanDerWaalsContact C-N 3.25Å; R280-F282 PolarHBondContact O-N 3.4Å; R280-I283 WeakPolarHBondContact O-CA 3.36Å; R280-I283 WeakPolarHBondContact O-CB 3.47Å; R280-I283 PolarHBondContact O-N 3.3Å; R280-I283 VanDerWaalsContact O-N 3.08Å; R280-Q284 PolarHBondContact O-N 2.03Å
281	E	98.4	Very high	97.3	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-66.5	-28.8	179.1	-64.4	83.2	167.5	0	0	111.8	K279 Q284 F285 P326	K279-E281 VanDerWaalsContact C-N 3.27Å; K279-E281 WeakPolarHBondContact CE-OE2 3.24Å; K279-E281 HydrophobicContact CG-CB 4.39Å; K279-E281 WeakPolarHBondContact CG-OE2 3.45Å; K279-E281 PolarHBondContact O-N 3.13Å; E281-Q284 PolarHBondContact O-N 2.85Å; E281-F285 WeakPolarHBondContact O-CB 3.49Å; E281-F285 PolarHBondContact O-N 2.65Å; E281-P326 HydrophobicContact CB-CB 3.79Å; E281-P326 HydrophobicContact CB-CG 3.9Å
282	F	98.6	Very high	97.4	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-33.6	172.2	-170.1	-99.7	0	0	0	112	N244 L278 K279 R280 F285 Y286 F314 L317 N318 A325 P326	N244-F282 VanDerWaalsContact ND2-CD2 3.33Å; N244-F282 WeakPolarHBondContact ND2-CD2 3.1Å; L278-F282 HydrophobicContact CB-CD1 4.22Å; L278-F282 HydrophobicContact CD1-CD1 4.12Å; L278-F282 HydrophobicContact CD1-CE1 4.17Å; L278-F282 HydrophobicContact CD2-CD1 3.96Å; L278-F282 HydrophobicContact CD2-CE1 3.87Å; L278-F282 HydrophobicContact CG-CD1 4.33Å; K279-F282 HydrophobicContact CB-CB 4.36Å; K279-F282 VanDerWaalsContact O-CB 3.29Å; K279-F282 WeakPolarHBondContact O-CB 3.13Å; K279-F282 PolarHBondContact O-N 3.4Å; R280-F282 VanDerWaalsContact C-N 3.25Å; R280-F282 PolarHBondContact O-N 3.4Å; F282-F285 WeakPolarHBondContact O-CB 3.25Å; F282-F285 PolarHBondContact O-N 2.97Å; F282-Y286 PolarHBondContact O-N 3.42Å; F282-Y286 VanDerWaalsContact O-N 3.08Å; F282-F314 HydrophobicContact CD1-CD1 4.37Å; F282-F314 AromaticContact CE1-CD1 3.58Å; F282-F314 HydrophobicContact CE1-CD1 3.58Å; F282-F314 HydrophobicContact CE1-CE1 4.18Å; F282-F314 HydrophobicContact CZ-CD1 4.4Å; F282-L317 HydrophobicContact CE2-CB 4.34Å; F282-L317 HydrophobicContact CZ-CB 3.77Å; F282-N318 HydrophobicContact CZ-CB 4.09Å; F282-A325 HydrophobicContact CD2-CB 3.69Å; F282-A325 HydrophobicContact CE2-CB 3.47Å; F282-A325 VanDerWaalsContact CE2-CB 3.47Å; F282-P326 VanDerWaalsContact CD2-O 3.25Å; F282-P326 WeakPolarHBondContact CD2-O 3.33Å
283	I	98.2	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-39.8	172	-64	-61.2	0	0	0	111.4	F199 A203 L207 W214 I217 L278 K279 R280 Y286	F199-I283 HydrophobicContact CE1-CD1 4.16Å; F199-I283 HydrophobicContact CZ-CD1 4.05Å; A203-I283 HydrophobicContact CB-CD1 4.37Å; A203-I283 HydrophobicContact CB-CG2 4.23Å; L207-I283 HydrophobicContact CB-CG2 4.19Å; L207-I283 HydrophobicContact CD1-CG2 4.23Å; L207-I283 HydrophobicContact CD2-CG2 4.18Å; L207-I283 HydrophobicContact CG-CG2 4.42Å; W214-I283 HydrophobicContact CH2-CB 4.1Å; W214-I283 HydrophobicContact CH2-CG1 4.07Å; W214-I283 HydrophobicContact CH2-CG2 4.11Å; I217-I283 HydrophobicContact CG2-CD1 3.78Å; I217-I283 HydrophobicContact CG2-CG1 3.65Å; L278-I283 HydrophobicContact CB-CD1 4.11Å; L278-I283 HydrophobicContact CB-CG1 4.35Å; L278-I283 HydrophobicContact CD1-CD1 3.85Å; K279-I283 PolarHBondContact O-N 2.96Å; R280-I283 WeakPolarHBondContact O-CA 3.36Å; R280-I283 WeakPolarHBondContact O-CB 3.47Å; R280-I283 PolarHBondContact O-N 3.3Å; R280-I283 VanDerWaalsContact O-N 3.08Å; I283-Y286 HydrophobicContact CB-CD1 4.48Å; I283-Y286 HydrophobicContact CB-CE1 4.22Å; I283-Y286 HydrophobicContact CD1-CD1 4.13Å; I283-Y286 HydrophobicContact CD1-CE1 3.87Å; I283-Y286 HydrophobicContact CG2-CD1 4.48Å; I283-Y286 HydrophobicContact CG2-CE1 3.78Å; I283-Y286 WeakPolarHBondContact O-CD1 3.32Å; I283-Y286 VanDerWaalsContact O-CE1 3.24Å; I283-Y286 WeakPolarHBondContact O-CE1 3.48Å
284	Q	98.2	Very high	97.8	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-46.5	170.9	-68.6	171.8	-35.9	0	0	111.1	L207 R280 E281 Y286 K287 T288	L207-Q284 HydrophobicContact CD1-CG 3.55Å; L207-Q284 HydrophobicContact CD2-CG 3.94Å; L207-Q284 HydrophobicContact CG-CG 4.32Å; R280-Q284 PolarHBondContact O-N 2.03Å; E281-Q284 PolarHBondContact O-N 2.85Å; Q284-Y286 PolarHBondContact O-N 3.48Å; Q284-K287 WeakPolarHBondContact O-CB 3.01Å; Q284-K287 PolarHBondContact O-N 2.77Å; Q284-K287 VanDerWaalsContact O-N 3.11Å; Q284-T288 PolarHBondContact O-N 2.93Å; Q284-T288 PolarHBondContact O-OG1 3.29Å; Q284-T288 VanDerWaalsContact O-OG1 3.13Å
285	F	98.5	Very high	97.9	Very high	25 Å²	25	40.1 Å²	40.1	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-47.8	-179.6	176.2	-86.2	0	0	0	112.3	E281 F282 K287 T288 D289 F323 A325 P326	E281-F285 WeakPolarHBondContact O-CB 3.49Å; E281-F285 PolarHBondContact O-N 2.65Å; F282-F285 WeakPolarHBondContact O-CB 3.25Å; F282-F285 PolarHBondContact O-N 2.97Å; F285-K287 PolarHBondContact O-N 2.88Å; F285-K287 VanDerWaalsContact O-N 3.1Å; F285-T288 PolarHBondContact O-N 3.16Å; F285-T288 VanDerWaalsContact O-N 3.12Å; F285-D289 HydrophobicContact CD1-CB 4.11Å; F285-D289 HydrophobicContact CD2-CB 3.98Å; F285-D289 HydrophobicContact CE1-CB 3.7Å; F285-D289 HydrophobicContact CE2-CB 3.59Å; F285-D289 HydrophobicContact CG-CB 4.22Å; F285-D289 HydrophobicContact CZ-CB 3.42Å; F285-D289 VanDerWaalsContact CZ-CB 3.42Å; F285-D289 VanDerWaalsContact O-CB 3.31Å; F285-D289 WeakPolarHBondContact O-CB 3.04Å; F285-D289 PolarHBondContact O-N 3.35Å; F285-F323 WeakPolarHBondContact CE2-O 3.48Å; F285-F323 HydrophobicContact CZ-CB 4.1Å; F285-F323 VanDerWaalsContact CZ-O 3.25Å; F285-F323 WeakPolarHBondContact CZ-O 3.25Å; F285-A325 HydrophobicContact CD1-CB 3.56Å; F285-A325 HydrophobicContact CD2-CB 4.22Å; F285-A325 HydrophobicContact CE1-CB 3.47Å; F285-A325 VanDerWaalsContact CE1-CB 3.47Å; F285-A325 HydrophobicContact CE2-CB 4.12Å; F285-A325 HydrophobicContact CG-CB 3.96Å; F285-A325 HydrophobicContact CZ-CB 3.76Å; F285-P326 HydrophobicContact CB-CG 4.43Å
286	Y	95.8	Very high	98	Very high	8 Å²	8	38.3 Å²	38.3	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-29.7	-176.2	86.4	-111.7	0	0	0	112.5	L200 A203 D204 F282 I283 Q284 S292 F314	L200-Y286 HydrophobicContact CD2-CD2 4.24Å; L200-Y286 HydrophobicContact CD2-CE1 4.16Å; L200-Y286 HydrophobicContact CD2-CE2 3.74Å; A203-Y286 HydrophobicContact CB-CE1 4.39Å; D204-Y286 PolarHBondContact OD1-OH 2.67Å; F282-Y286 PolarHBondContact O-N 3.42Å; F282-Y286 VanDerWaalsContact O-N 3.08Å; I283-Y286 HydrophobicContact CB-CD1 4.48Å; I283-Y286 HydrophobicContact CB-CE1 4.22Å; I283-Y286 HydrophobicContact CD1-CD1 4.13Å; I283-Y286 HydrophobicContact CD1-CE1 3.87Å; I283-Y286 HydrophobicContact CG2-CD1 4.48Å; I283-Y286 HydrophobicContact CG2-CE1 3.78Å; I283-Y286 WeakPolarHBondContact O-CD1 3.32Å; I283-Y286 VanDerWaalsContact O-CE1 3.24Å; I283-Y286 WeakPolarHBondContact O-CE1 3.48Å; Q284-Y286 PolarHBondContact O-N 3.48Å; Y286-S292 WeakPolarHBondContact CA-OG 3.39Å; Y286-S292 WeakPolarHBondContact CB-OG 3.34Å; Y286-S292 PolarHBondContact O-OG 3.34Å; Y286-F314 AromaticContact CD1-CE1 3.76Å; Y286-F314 HydrophobicContact CD1-CE1 3.76Å; Y286-F314 AromaticContact CD1-CZ 3.96Å; Y286-F314 HydrophobicContact CD1-CZ 3.96Å; Y286-F314 HydrophobicContact CE1-CE1 4.44Å; Y286-F314 HydrophobicContact CE1-CZ 4.23Å; Y286-F314 HydrophobicContact CG-CE1 4.19Å; Y286-F314 HydrophobicContact CG-CZ 4.46Å
287	K	94.9	Very high	98	Very high	63 Å²	63	42.2 Å²	42.2	27%	0.274	21%	0.207	S	C	.	.	H	α-helix	trans	-77.9	-31.2	-179.2	-66.4	-177.3	70.2	151.3	0	112.7	D204 L207 Q284 F285 Q293	D204-K287 VanDerWaalsContact OD1-CD 3.27Å; D204-K287 WeakPolarHBondContact OD1-CD 3.38Å; D204-K287 WeakPolarHBondContact OD1-CE 3.24Å; D204-K287 IonicContact OD1-NZ 2.72Å; D204-K287 PolarHBondContact OD1-NZ 2.9Å; L207-K287 HydrophobicContact CD2-CD 3.6Å; Q284-K287 WeakPolarHBondContact O-CB 3.01Å; Q284-K287 PolarHBondContact O-N 2.77Å; Q284-K287 VanDerWaalsContact O-N 3.11Å; F285-K287 PolarHBondContact O-N 2.88Å; F285-K287 VanDerWaalsContact O-N 3.1Å; K287-Q293 PolarHBondContact O-NE2 3.14Å
288	T	97.2	Very high	98	Very high	109 Å²	109	42.3 Å²	42.3	67%	0.669	21%	0.207	S	C	*	.	H	α-helix	trans	-108	-26	-169.8	57.3	0	0	0	0	113.7	Q284 F285	Q284-T288 PolarHBondContact O-N 2.93Å; Q284-T288 PolarHBondContact O-OG1 3.29Å; Q284-T288 VanDerWaalsContact O-OG1 3.13Å; F285-T288 PolarHBondContact O-N 3.16Å; F285-T288 VanDerWaalsContact O-N 3.12Å
289	D	98.3	Very high	98	Very high	36 Å²	36	42.6 Å²	42.6	19%	0.193	21%	0.209	C	C	.	.			trans	-75.7	130.3	-179.8	177	70.5	0	0	0	112.1	F285 K291 S292 Q293	F285-D289 HydrophobicContact CD1-CB 4.11Å; F285-D289 HydrophobicContact CD2-CB 3.98Å; F285-D289 HydrophobicContact CE1-CB 3.7Å; F285-D289 HydrophobicContact CE2-CB 3.59Å; F285-D289 HydrophobicContact CG-CB 4.22Å; F285-D289 HydrophobicContact CZ-CB 3.42Å; F285-D289 VanDerWaalsContact CZ-CB 3.42Å; F285-D289 VanDerWaalsContact O-CB 3.31Å; F285-D289 WeakPolarHBondContact O-CB 3.04Å; F285-D289 PolarHBondContact O-N 3.35Å; D289-K291 PolarHBondContact O-N 3.38Å; D289-K291 WeakPolarHBondContact OD2-CA 3.45Å; D289-K291 VanDerWaalsContact OD2-CB 3.31Å; D289-K291 WeakPolarHBondContact OD2-CB 3.39Å; D289-K291 PolarHBondContact OD2-N 2.51Å; D289-S292 WeakPolarHBondContact O-CB 3.26Å; D289-S292 PolarHBondContact O-N 3.13Å; D289-S292 PolarHBondContact OD2-N 3.04Å; D289-Q293 WeakPolarHBondContact O-CG 3.34Å; D289-Q293 PolarHBondContact O-N 3.3Å
290	L	97.9	Very high	98	Very high	105 Å²	105	43.9 Å²	43.9	55%	0.55	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-35.8	-175.8	-179.2	62.2	0	0	0	112.7	K294	L290-K294 HydrophobicContact CD1-CG 4.44Å; L290-K294 HydrophobicContact CG-CD 4.41Å; L290-K294 WeakPolarHBondContact O-CB 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.42Å; L290-K294 PolarHBondContact O-N 3.08Å
291	K	98	Very high	98	Very high	70 Å²	70	46.8 Å²	46.8	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-69.7	-44.9	179.5	-60.4	175.6	-173.7	166.1	0	109.6	F265 D289 K294 I295 F323	F265-K291 HydrophobicContact CD1-CG 4Å; F265-K291 HydrophobicContact CD2-CB 4.4Å; F265-K291 HydrophobicContact CD2-CD 4.18Å; F265-K291 HydrophobicContact CD2-CG 4.24Å; F265-K291 HydrophobicContact CE1-CB 4.03Å; F265-K291 HydrophobicContact CE1-CG 3.91Å; F265-K291 HydrophobicContact CE2-CB 3.86Å; F265-K291 HydrophobicContact CE2-CD 4.44Å; F265-K291 HydrophobicContact CE2-CG 4.16Å; F265-K291 HydrophobicContact CG-CD 4.22Å; F265-K291 HydrophobicContact CG-CG 4.16Å; F265-K291 HydrophobicContact CZ-CB 3.64Å; F265-K291 HydrophobicContact CZ-CG 3.98Å; D289-K291 PolarHBondContact O-N 3.38Å; D289-K291 WeakPolarHBondContact OD2-CA 3.45Å; D289-K291 VanDerWaalsContact OD2-CB 3.31Å; D289-K291 WeakPolarHBondContact OD2-CB 3.39Å; D289-K291 PolarHBondContact OD2-N 2.51Å; K291-K294 PolarHBondContact O-N 2.82Å; K291-I295 VanDerWaalsContact O-CG1 3.27Å; K291-I295 WeakPolarHBondContact O-CG1 3.44Å; K291-I295 PolarHBondContact O-N 3.21Å; K291-F323 HydrophobicContact CD-CD1 3.65Å; K291-F323 HydrophobicContact CD-CE1 3.99Å
292	S	98.2	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-51.2	173.6	176.7	0	0	0	0	111.9	Y286 D289 K294 I295 L296 Y313 L317	Y286-S292 WeakPolarHBondContact CA-OG 3.39Å; Y286-S292 WeakPolarHBondContact CB-OG 3.34Å; Y286-S292 PolarHBondContact O-OG 3.34Å; D289-S292 WeakPolarHBondContact O-CB 3.26Å; D289-S292 PolarHBondContact O-N 3.13Å; D289-S292 PolarHBondContact OD2-N 3.04Å; S292-K294 PolarHBondContact O-N 3.26Å; S292-I295 PolarHBondContact O-N 2.94Å; S292-L296 PolarHBondContact O-N 3.47Å; S292-Y313 PolarHBondContact OG-OH 2.77Å; S292-L317 WeakPolarHBondContact OG-CD1 3.17Å
293	Q	98.3	Very high	98	Very high	80 Å²	80	50.5 Å²	50.5	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-46.3	176.8	-71.8	178.8	-23.7	0	0	112.3	K287 D289 I295 L296 D297	K287-Q293 PolarHBondContact O-NE2 3.14Å; D289-Q293 WeakPolarHBondContact O-CG 3.34Å; D289-Q293 PolarHBondContact O-N 3.3Å; Q293-I295 VanDerWaalsContact C-N 3.29Å; Q293-I295 PolarHBondContact O-N 2.78Å; Q293-L296 PolarHBondContact O-N 2.76Å; Q293-L296 VanDerWaalsContact O-N 3.16Å; Q293-D297 WeakPolarHBondContact O-CB 3.24Å; Q293-D297 VanDerWaalsContact O-CG 3.27Å; Q293-D297 PolarHBondContact O-N 2.96Å
294	K	98.4	Very high	97.9	Very high	59 Å²	59	56.8 Å²	56.8	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-40.3	176.4	-80	-179.8	172.2	-175.2	0	112	F263 E264 F265 L290 K291 S292 A298	F263-K294 HydrophobicContact CE1-CB 4.35Å; E264-K294 IonicContact OE2-NZ 3.76Å; E264-K294 PolarHBondContact OE2-NZ 3.39Å; F265-K294 HydrophobicContact CE1-CB 4.34Å; F265-K294 HydrophobicContact CE1-CD 3.88Å; F265-K294 HydrophobicContact CZ-CB 4.35Å; L290-K294 HydrophobicContact CD1-CG 4.44Å; L290-K294 HydrophobicContact CG-CD 4.41Å; L290-K294 WeakPolarHBondContact O-CB 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.42Å; L290-K294 PolarHBondContact O-N 3.08Å; K291-K294 PolarHBondContact O-N 2.82Å; S292-K294 PolarHBondContact O-N 3.26Å; K294-A298 PolarHBondContact O-N 3.26Å
295	I	98.5	Very high	97.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-46.6	176.5	-67.4	163	0	0	0	110.4	F263 F265 I267 W269 K291 S292 Q293 D297 A298 I299 Y313 L317 F323	F263-I295 HydrophobicContact CD1-CG1 4.4Å; F263-I295 HydrophobicContact CE1-CB 4.39Å; F263-I295 HydrophobicContact CE1-CG1 3.86Å; F263-I295 HydrophobicContact CZ-CG1 4.17Å; F265-I295 HydrophobicContact CE2-CD1 4.2Å; F265-I295 HydrophobicContact CE2-CG1 4.32Å; F265-I295 HydrophobicContact CZ-CD1 4.49Å; F265-I295 HydrophobicContact CZ-CG1 4.24Å; I267-I295 HydrophobicContact CD1-CD1 3.58Å; I267-I295 HydrophobicContact CD1-CG1 3.82Å; W269-I295 HydrophobicContact CH2-CG2 4.11Å; W269-I295 HydrophobicContact CZ3-CG2 4.02Å; K291-I295 VanDerWaalsContact O-CG1 3.27Å; K291-I295 WeakPolarHBondContact O-CG1 3.44Å; K291-I295 PolarHBondContact O-N 3.21Å; S292-I295 PolarHBondContact O-N 2.94Å; Q293-I295 VanDerWaalsContact C-N 3.29Å; Q293-I295 PolarHBondContact O-N 2.78Å; I295-D297 VanDerWaalsContact C-N 3.32Å; I295-D297 PolarHBondContact O-N 3.15Å; I295-A298 WeakPolarHBondContact O-CB 3.4Å; I295-A298 PolarHBondContact O-N 2.97Å; I295-I299 HydrophobicContact CG2-CD1 4.23Å; I295-I299 PolarHBondContact O-N 3.21Å; I295-I299 VanDerWaalsContact O-N 3.08Å; I295-Y313 HydrophobicContact CB-CE2 4.4Å; I295-Y313 HydrophobicContact CG2-CD2 3.9Å; I295-Y313 HydrophobicContact CG2-CE2 4.03Å; I295-L317 HydrophobicContact CD1-CD2 4.02Å; I295-F323 HydrophobicContact CD1-CE2 3.82Å; I295-F323 HydrophobicContact CD1-CZ 4.02Å
296	L	98.5	Very high	97.9	Very high	12 Å²	12	59 Å²	59	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-40.9	179.4	-176.1	56.9	0	0	0	111.8	Y193 L196 L200 S292 Q293 A298 I299 K300 Y313	Y193-L296 HydrophobicContact CE2-CD1 4.15Å; L196-L296 HydrophobicContact CD2-CD1 4.2Å; L200-L296 HydrophobicContact CD1-CD1 3.75Å; L200-L296 HydrophobicContact CD1-CD2 3.99Å; S292-L296 PolarHBondContact O-N 3.47Å; Q293-L296 PolarHBondContact O-N 2.76Å; Q293-L296 VanDerWaalsContact O-N 3.16Å; L296-A298 VanDerWaalsContact C-N 3.33Å; L296-A298 PolarHBondContact O-N 3.34Å; L296-I299 WeakPolarHBondContact O-CB 3.23Å; L296-I299 PolarHBondContact O-N 3.42Å; L296-K300 HydrophobicContact CG-CD 4.13Å; L296-K300 HydrophobicContact CG-CG 4.49Å; L296-K300 WeakPolarHBondContact O-CB 3.36Å; L296-K300 WeakPolarHBondContact O-CG 3.24Å; L296-K300 PolarHBondContact O-N 2.92Å; L296-Y313 HydrophobicContact CB-CE2 3.66Å; L296-Y313 HydrophobicContact CD1-CD2 4.44Å; L296-Y313 HydrophobicContact CD1-CE1 4.35Å; L296-Y313 HydrophobicContact CD1-CE2 4.12Å; L296-Y313 HydrophobicContact CG-CE2 4.39Å
297	D	98.4	Very high	98	Very high	84 Å²	84	60 Å²	60	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-65.7	-36.7	177.6	-69.8	-18.8	0	0	0	112	Q293 I295 K300 S301	Q293-D297 WeakPolarHBondContact O-CB 3.24Å; Q293-D297 VanDerWaalsContact O-CG 3.27Å; Q293-D297 PolarHBondContact O-N 2.96Å; I295-D297 VanDerWaalsContact C-N 3.32Å; I295-D297 PolarHBondContact O-N 3.15Å; D297-K300 PolarHBondContact O-N 3.34Å; D297-S301 PolarHBondContact O-N 3.39Å
298	A	98.5	Very high	98.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-48.2	172.5	0	0	0	0	0	111.1	P259 K261 F263 K294 I295 L296 K300 S301 E302	P259-A298 HydrophobicContact CB-CB 3.9Å; P259-A298 HydrophobicContact CG-CB 4.33Å; K261-A298 HydrophobicContact CB-CB 3.95Å; K261-A298 HydrophobicContact CD-CB 3.78Å; K261-A298 HydrophobicContact CG-CB 4.44Å; F263-A298 HydrophobicContact CE1-CB 4.26Å; F263-A298 HydrophobicContact CZ-CB 3.61Å; K294-A298 PolarHBondContact O-N 3.26Å; I295-A298 WeakPolarHBondContact O-CB 3.4Å; I295-A298 PolarHBondContact O-N 2.97Å; L296-A298 VanDerWaalsContact C-N 3.33Å; L296-A298 PolarHBondContact O-N 3.34Å; A298-K300 PolarHBondContact O-N 3.31Å; A298-S301 PolarHBondContact O-N 2.83Å; A298-S301 PolarHBondContact O-OG 2.92Å; A298-E302 PolarHBondContact O-N 2.79Å
299	I	98.5	Very high	98.2	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-45.4	175.6	-73.3	172.7	0	0	0	111.3	Y193 L196 P259 I295 L296 S301 E302 K303 P309 Y313	Y193-I299 HydrophobicContact CD2-CG2 3.67Å; Y193-I299 HydrophobicContact CE2-CG2 4.12Å; L196-I299 HydrophobicContact CD2-CG2 4.31Å; P259-I299 HydrophobicContact CG-CG1 3.68Å; I295-I299 HydrophobicContact CG2-CD1 4.23Å; I295-I299 PolarHBondContact O-N 3.21Å; I295-I299 VanDerWaalsContact O-N 3.08Å; L296-I299 WeakPolarHBondContact O-CB 3.23Å; L296-I299 PolarHBondContact O-N 3.42Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.46Å; I299-E302 CarbonylContact O-C 3.51Å; I299-E302 PolarHBondContact O-N 3.45Å; I299-E302 VanDerWaalsContact O-N 3.17Å; I299-K303 PolarHBondContact O-N 2.97Å; I299-P309 HydrophobicContact CD1-CB 4.34Å; I299-P309 HydrophobicContact CG1-CB 4.49Å; I299-P309 HydrophobicContact CG2-CB 3.4Å; I299-P309 HydrophobicContact CG2-CG 4.05Å; I299-Y313 HydrophobicContact CD1-CD2 3.75Å; I299-Y313 HydrophobicContact CD1-CG 4.21Å
300	K	98.1	Very high	98.2	Very high	80 Å²	80	51.6 Å²	51.6	35%	0.348	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-37.7	178.7	-78.2	170.4	176.8	171.4	0	112.6	Y193 L296 D297 A298 E302 K303	Y193-K300 HydrophobicContact CD2-CG 4.41Å; Y193-K300 HydrophobicContact CE1-CG 4.06Å; Y193-K300 HydrophobicContact CE2-CG 3.65Å; Y193-K300 VanDerWaalsContact CZ-CG 3.47Å; Y193-K300 WeakPolarHBondContact OH-CE 3.33Å; L296-K300 HydrophobicContact CG-CD 4.13Å; L296-K300 HydrophobicContact CG-CG 4.49Å; L296-K300 WeakPolarHBondContact O-CB 3.36Å; L296-K300 WeakPolarHBondContact O-CG 3.24Å; L296-K300 PolarHBondContact O-N 2.92Å; D297-K300 PolarHBondContact O-N 3.34Å; A298-K300 PolarHBondContact O-N 3.31Å; K300-E302 PolarHBondContact O-N 3Å; K300-K303 VanDerWaalsContact O-CB 3.27Å; K300-K303 WeakPolarHBondContact O-CB 3.44Å; K300-K303 VanDerWaalsContact O-CG 3.32Å; K300-K303 WeakPolarHBondContact O-CG 3.22Å; K300-K303 PolarHBondContact O-N 3.37Å; K300-K303 VanDerWaalsContact O-N 3.11Å
301	S	98.4	Very high	98.2	Very high	77 Å²	77	48.6 Å²	48.6	54%	0.538	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-26.2	177.5	75.5	0	0	0	0	112.5	D297 A298 I299	D297-S301 PolarHBondContact O-N 3.39Å; A298-S301 PolarHBondContact O-N 2.83Å; A298-S301 PolarHBondContact O-OG 2.92Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.46Å
302	E	98.4	Very high	98.2	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.103	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	20.5	178.9	-63.6	-176.1	-175.5	0	0	112.9	P259 N260 A298 I299 K300 H304 L305 K307	P259-E302 WeakPolarHBondContact CA-OE2 3.24Å; N260-E302 WeakPolarHBondContact CB-OE1 3.38Å; N260-E302 PolarHBondContact N-OE1 2.83Å; A298-E302 PolarHBondContact O-N 2.79Å; I299-E302 CarbonylContact O-C 3.51Å; I299-E302 PolarHBondContact O-N 3.45Å; I299-E302 VanDerWaalsContact O-N 3.17Å; K300-E302 PolarHBondContact O-N 3Å; E302-H304 PolarHBondContact O-N 3.27Å; E302-L305 HydrophobicContact CB-CD1 4.04Å; E302-L305 HydrophobicContact CB-CG 4.4Å; E302-L305 HydrophobicContact CG-CD1 4.17Å; E302-L305 WeakPolarHBondContact O-CB 3.45Å; E302-L305 PolarHBondContact O-N 3.21Å; E302-K307 IonicContact OE1-NZ 2.66Å; E302-K307 VanDerWaalsContact OE2-CD 3.24Å; E302-K307 WeakPolarHBondContact OE2-CD 3.45Å; E302-K307 WeakPolarHBondContact OE2-CE 3.49Å; E302-K307 IonicContact OE2-NZ 2.75Å; E302-K307 PolarHBondContact OE2-NZ 2.83Å
303	K	98	Very high	98.2	Very high	137 Å²	137	45.6 Å²	45.6	60%	0.596	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.3	-177	65.4	-179.2	-177.9	177.9	0	115.3	Y193 I299 K300 L305	Y193-K303 HydrophobicContact CD1-CB 4.01Å; Y193-K303 HydrophobicContact CG-CB 3.99Å; I299-K303 PolarHBondContact O-N 2.97Å; K300-K303 VanDerWaalsContact O-CB 3.27Å; K300-K303 WeakPolarHBondContact O-CB 3.44Å; K300-K303 VanDerWaalsContact O-CG 3.32Å; K300-K303 WeakPolarHBondContact O-CG 3.22Å; K300-K303 PolarHBondContact O-N 3.37Å; K300-K303 VanDerWaalsContact O-N 3.11Å; K303-L305 VanDerWaalsContact C-N 3.33Å
304	H	98	Very high	98.2	Very high	132 Å²	132	41.8 Å²	41.8	61%	0.611	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.4	178.3	64.2	-83.4	0	0	0	113.3	Y192 E302	Y192-H304 WeakPolarHBondContact CE1-O 3.02Å; E302-H304 PolarHBondContact O-N 3.27Å
305	L	98.3	Very high	98.1	Very high	60 Å²	60	39 Å²	39	31%	0.314	19%	0.193	S	C	.	.	S	Bend	trans	-99.7	139.1	177.3	-56.9	-178.8	0	0	0	110.6	E302 K303 K307	E302-L305 HydrophobicContact CB-CD1 4.04Å; E302-L305 HydrophobicContact CB-CG 4.4Å; E302-L305 HydrophobicContact CG-CD1 4.17Å; E302-L305 WeakPolarHBondContact O-CB 3.45Å; E302-L305 PolarHBondContact O-N 3.21Å; K303-L305 VanDerWaalsContact C-N 3.33Å; L305-K307 VanDerWaalsContact C-N 3.27Å; L305-K307 HydrophobicContact CB-CD 4.18Å; L305-K307 HydrophobicContact CB-CG 3.99Å; L305-K307 HydrophobicContact CD1-CD 4.28Å; L305-K307 PolarHBondContact O-N 2.79Å
306	Q	97.9	Very high	98.1	Very high	97 Å²	97	39 Å²	39	45%	0.453	19%	0.193	S	C	.	.			trans	-79.7	73.4	178.3	-161.6	176.5	23.3	0	0	111.4	W190 G191 Y192	W190-Q306 PolarHBondContact O-NE2 2.7Å; G191-Q306 CarbonylContact O-C 3.55Å; G191-Q306 VanDerWaalsContact O-C 3.27Å; G191-Q306 VanDerWaalsContact O-CA 3.3Å; G191-Q306 WeakPolarHBondContact O-CA 3.21Å; G191-Q306 WeakPolarHBondContact O-CG 3.36Å; Y192-Q306 HydrophobicContact CD1-CB 4.4Å; Y192-Q306 HydrophobicContact CD2-CB 4.4Å; Y192-Q306 HydrophobicContact CD2-CG 4.03Å; Y192-Q306 HydrophobicContact CE1-CB 3.88Å; Y192-Q306 HydrophobicContact CE2-CB 3.87Å; Y192-Q306 HydrophobicContact CE2-CG 3.66Å
307	K	98.1	Very high	98	Very high	27 Å²	27	38.4 Å²	38.4	12%	0.117	19%	0.19	C	C	.	.			trans	-107.6	6	-174.5	-72.8	-172.8	168.6	-169.5	0	114.8	G191 R257 W258 N260 E302 L305	G191-K307 PolarHBondContact O-N 3.48Å; G191-K307 VanDerWaalsContact O-N 3.09Å; R257-K307 HydrophobicContact CB-CB 4.29Å; R257-K307 VanDerWaalsContact CB-O 3.27Å; R257-K307 WeakPolarHBondContact CB-O 3.37Å; R257-K307 VanDerWaalsContact CD-O 3.31Å; R257-K307 WeakPolarHBondContact CD-O 2.98Å; W258-K307 PolarHBondContact O-NZ 2.77Å; N260-K307 PolarHBondContact OD1-NZ 2.85Å; E302-K307 IonicContact OE1-NZ 2.66Å; E302-K307 VanDerWaalsContact OE2-CD 3.24Å; E302-K307 WeakPolarHBondContact OE2-CD 3.45Å; E302-K307 WeakPolarHBondContact OE2-CE 3.49Å; E302-K307 IonicContact OE2-NZ 2.75Å; E302-K307 PolarHBondContact OE2-NZ 2.83Å; L305-K307 VanDerWaalsContact C-N 3.27Å; L305-K307 HydrophobicContact CB-CD 4.18Å; L305-K307 HydrophobicContact CB-CG 3.99Å; L305-K307 HydrophobicContact CD1-CD 4.28Å; L305-K307 PolarHBondContact O-N 2.79Å
308	H	97.9	Very high	98	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.06	17%	0.168	C	C	.	.			trans	46.8	54.2	-179.6	-60.5	-106.7	0	0	0	113.7	W190 G191 D310 E311	W190-H308 AromaticContact CE2-CE1 3.91Å; W190-H308 AromaticContact CH2-CE1 3.69Å; W190-H308 AromaticContact CZ2-CE1 3.62Å; G191-H308 PolarHBondContact O-N 3.39Å; H308-D310 VanDerWaalsContact CA-OD1 3.29Å; H308-D310 WeakPolarHBondContact CA-OD1 3.06Å; H308-D310 PolarHBondContact O-N 3.32Å; H308-D310 VanDerWaalsContact O-N 3.17Å; H308-E311 HydrophobicContact CB-CB 4.39Å; H308-E311 HydrophobicContact CB-CG 4.41Å; H308-E311 IonicContact ND1-OE1 3Å; H308-E311 PolarHBondContact ND1-OE1 3.2Å; H308-E311 PolarHBondContact O-N 2.88Å
309	P	98.2	Very high	97.8	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.052	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65	-19.7	-176.1	27.6	-35.1	0	0	0	113.6	Y193 L196 I299 E311 L312 Y313	Y193-P309 HydrophobicContact CD2-CG 4.41Å; L196-P309 HydrophobicContact CD2-CB 4.24Å; I299-P309 HydrophobicContact CD1-CB 4.34Å; I299-P309 HydrophobicContact CG1-CB 4.49Å; I299-P309 HydrophobicContact CG2-CB 3.4Å; I299-P309 HydrophobicContact CG2-CG 4.05Å; P309-E311 PolarHBondContact O-N 2.9Å; P309-L312 PolarHBondContact O-N 3.47Å; P309-L312 VanDerWaalsContact O-N 3.1Å; P309-Y313 PolarHBondContact O-N 3.05Å
310	D	98.1	Very high	97.6	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.059	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.9	171.3	59	-56.6	0	0	0	112.8	I195 L196 F274 H308 L312	I195-D310 HydrophobicContact CB-CB 4.11Å; I195-D310 HydrophobicContact CG2-CB 3.72Å; L196-D310 HydrophobicContact CB-CB 4.34Å; F274-D310 HydrophobicContact CB-CB 4.17Å; F274-D310 HydrophobicContact CD1-CB 4.42Å; F274-D310 HydrophobicContact CD2-CB 3.54Å; F274-D310 WeakPolarHBondContact CD2-O 3.06Å; F274-D310 HydrophobicContact CE2-CB 3.88Å; F274-D310 HydrophobicContact CG-CB 3.81Å; F274-D310 HydrophobicContact CZ-CB 4.43Å; H308-D310 VanDerWaalsContact CA-OD1 3.29Å; H308-D310 WeakPolarHBondContact CA-OD1 3.06Å; H308-D310 PolarHBondContact O-N 3.32Å; H308-D310 VanDerWaalsContact O-N 3.17Å; D310-L312 VanDerWaalsContact C-N 3.32Å
311	E	97.7	Very high	97.4	Very high	43 Å²	43	32.9 Å²	32.9	20%	0.201	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-88.2	4.7	174.8	-65.6	173.7	-151.3	0	0	113.1	R257 K271 G272 H308 P309	R257-E311 IonicContact NH1-OE2 2.71Å; R257-E311 PolarHBondContact NH1-OE2 2.95Å; K271-E311 WeakPolarHBondContact CA-O 3.46Å; G272-E311 PolarHBondContact N-O 3.37Å; G272-E311 WeakPolarHBondContact O-CA 3.49Å; G272-E311 VanDerWaalsContact O-CB 3.26Å; G272-E311 WeakPolarHBondContact O-CB 3.29Å; H308-E311 HydrophobicContact CB-CB 4.39Å; H308-E311 HydrophobicContact CB-CG 4.41Å; H308-E311 IonicContact ND1-OE1 3Å; H308-E311 PolarHBondContact ND1-OE1 3.2Å; H308-E311 PolarHBondContact O-N 2.88Å; P309-E311 PolarHBondContact O-N 2.9Å
312	L	98	Very high	97.3	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-48.8	-171.2	-175	68.5	0	0	0	113.5	W269 P309 D310 T316	W269-L312 HydrophobicContact CB-CD1 4.26Å; W269-L312 HydrophobicContact CD2-CD1 4.47Å; W269-L312 HydrophobicContact CE3-CD1 3.81Å; W269-L312 HydrophobicContact CE3-CD2 3.87Å; W269-L312 HydrophobicContact CE3-CG 3.89Å; W269-L312 HydrophobicContact CZ3-CD2 3.95Å; W269-L312 HydrophobicContact CZ3-CG 4.21Å; P309-L312 PolarHBondContact O-N 3.47Å; P309-L312 VanDerWaalsContact O-N 3.1Å; D310-L312 VanDerWaalsContact C-N 3.32Å; L312-T316 WeakPolarHBondContact O-CB 3.42Å; L312-T316 PolarHBondContact O-N 3.14Å; L312-T316 PolarHBondContact O-OG1 2.8Å
313	Y	98.6	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-64.6	-165.5	179.4	-114.8	0	0	0	113.1	L196 L200 S292 I295 L296 I299 P309 T316 L317	L196-Y313 HydrophobicContact CD1-CD1 4.08Å; L196-Y313 HydrophobicContact CD2-CD1 4.12Å; L196-Y313 HydrophobicContact CD2-CG 4Å; L200-Y313 HydrophobicContact CD2-CE1 4.46Å; S292-Y313 PolarHBondContact OG-OH 2.77Å; I295-Y313 HydrophobicContact CB-CE2 4.4Å; I295-Y313 HydrophobicContact CG2-CD2 3.9Å; I295-Y313 HydrophobicContact CG2-CE2 4.03Å; L296-Y313 HydrophobicContact CB-CE2 3.66Å; L296-Y313 HydrophobicContact CD1-CD2 4.44Å; L296-Y313 HydrophobicContact CD1-CE1 4.35Å; L296-Y313 HydrophobicContact CD1-CE2 4.12Å; L296-Y313 HydrophobicContact CG-CE2 4.39Å; I299-Y313 HydrophobicContact CD1-CD2 3.75Å; I299-Y313 HydrophobicContact CD1-CG 4.21Å; P309-Y313 PolarHBondContact O-N 3.05Å; Y313-T316 WeakPolarHBondContact O-CB 3.48Å; Y313-T316 PolarHBondContact O-N 3.31Å; Y313-L317 HydrophobicContact CD1-CD1 4.45Å; Y313-L317 HydrophobicContact CE1-CD1 3.88Å; Y313-L317 HydrophobicContact CE2-CD1 4.01Å; Y313-L317 HydrophobicContact CE2-CG 4.44Å; Y313-L317 PolarHBondContact O-N 2.86Å
314	F	98.3	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-38.6	-179.8	-71.2	-65.6	0	0	0	114.1	L196 F199 L200 M276 L278 F282 Y286 T316 L317 N318	L196-F314 HydrophobicContact CD1-CD2 4.07Å; L196-F314 HydrophobicContact CD1-CE2 3.71Å; F199-F314 HydrophobicContact CD1-CD2 4.39Å; F199-F314 AromaticContact CD1-CE2 3.42Å; F199-F314 HydrophobicContact CD1-CE2 3.42Å; F199-F314 VanDerWaalsContact CD1-CE2 3.42Å; F199-F314 AromaticContact CD1-CZ 3.91Å; F199-F314 HydrophobicContact CD1-CZ 3.91Å; F199-F314 HydrophobicContact CE1-CD2 4.21Å; F199-F314 HydrophobicContact CE1-CE1 4.47Å; F199-F314 AromaticContact CE1-CE2 3.3Å; F199-F314 HydrophobicContact CE1-CE2 3.3Å; F199-F314 AromaticContact CE1-CZ 3.45Å; F199-F314 HydrophobicContact CE1-CZ 3.45Å; F199-F314 VanDerWaalsContact CE1-CZ 3.45Å; F199-F314 HydrophobicContact CZ-CE2 4.43Å; L200-F314 HydrophobicContact CD2-CE2 4.04Å; L200-F314 HydrophobicContact CD2-CZ 3.7Å; M276-F314 HydrophobicContact CE-CB 3.9Å; M276-F314 HydrophobicContact CE-CD2 3.56Å; M276-F314 HydrophobicContact CE-CE2 4.39Å; M276-F314 HydrophobicContact CE-CG 3.96Å; M276-F314 HydrophobicContact SD-CB 3.38Å; M276-F314 WeakPolarHBondContact SD-CB 3.29Å; M276-F314 HydrophobicContact SD-CD2 4.25Å; M276-F314 HydrophobicContact SD-CG 4.05Å; L278-F314 HydrophobicContact CD1-CD1 3.83Å; L278-F314 HydrophobicContact CD1-CD2 4.35Å; L278-F314 HydrophobicContact CD1-CE1 3.97Å; L278-F314 HydrophobicContact CD1-CG 3.99Å; L278-F314 HydrophobicContact CD1-CZ 4.32Å; F282-F314 HydrophobicContact CD1-CD1 4.37Å; F282-F314 AromaticContact CE1-CD1 3.58Å; F282-F314 HydrophobicContact CE1-CD1 3.58Å; F282-F314 HydrophobicContact CE1-CE1 4.18Å; F282-F314 HydrophobicContact CZ-CD1 4.4Å; Y286-F314 AromaticContact CD1-CE1 3.76Å; Y286-F314 HydrophobicContact CD1-CE1 3.76Å; Y286-F314 AromaticContact CD1-CZ 3.96Å; Y286-F314 HydrophobicContact CD1-CZ 3.96Å; Y286-F314 HydrophobicContact CE1-CE1 4.44Å; Y286-F314 HydrophobicContact CE1-CZ 4.23Å; Y286-F314 HydrophobicContact CG-CE1 4.19Å; Y286-F314 HydrophobicContact CG-CZ 4.46Å; F314-T316 PolarHBondContact O-N 3.03Å; F314-L317 HydrophobicContact CD1-CD1 4.34Å; F314-L317 PolarHBondContact O-N 3.06Å; F314-N318 VanDerWaalsContact O-CB 3.26Å; F314-N318 WeakPolarHBondContact O-CB 3.29Å; F314-N318 PolarHBondContact O-N 3.02Å
315	P	96.6	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.9	-41	167.9	-30.2	37.6	0	0	0	113	V246 N270 H319	V246-P315 HydrophobicContact CG1-CB 4.13Å; V246-P315 HydrophobicContact CG1-CG 3.91Å; N270-P315 HydrophobicContact CB-CB 4.38Å; N270-P315 WeakPolarHBondContact O-CB 3.36Å; P315-H319 WeakPolarHBondContact O-CB 3.41Å; P315-H319 PolarHBondContact O-CD2 2.71Å; P315-H319 PolarHBondContact O-N 3.5Å; P315-H319 VanDerWaalsContact O-N 3.07Å
316	T	97	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-48.4	176.7	-60.9	0	0	0	0	111	I267 W269 N270 L312 Y313 F314 N318 H319 N320	I267-T316 HydrophobicContact CD1-CG2 3.8Å; I267-T316 HydrophobicContact CG1-CG2 3.84Å; W269-T316 HydrophobicContact CE3-CG2 3.88Å; W269-T316 HydrophobicContact CZ3-CG2 4.26Å; N270-T316 PolarHBondContact N-OG1 2.78Å; N270-T316 PolarHBondContact O-OG1 3.46Å; L312-T316 WeakPolarHBondContact O-CB 3.42Å; L312-T316 PolarHBondContact O-N 3.14Å; L312-T316 PolarHBondContact O-OG1 2.8Å; Y313-T316 WeakPolarHBondContact O-CB 3.48Å; Y313-T316 PolarHBondContact O-N 3.31Å; F314-T316 PolarHBondContact O-N 3.03Å; T316-N318 VanDerWaalsContact C-N 3.31Å; T316-N318 PolarHBondContact O-N 3.25Å; T316-H319 PolarHBondContact O-N 3.48Å; T316-N320 WeakPolarHBondContact O-CB 3.05Å; T316-N320 PolarHBondContact O-N 3.48Å; T316-N320 PolarHBondContact O-ND2 3.07Å
317	L	97.9	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-40.7	177.1	-63.7	-177.2	0	0	0	112.6	F282 S292 I295 Y313 F314 H319 F323	F282-L317 HydrophobicContact CE2-CB 4.34Å; F282-L317 HydrophobicContact CZ-CB 3.77Å; S292-L317 WeakPolarHBondContact OG-CD1 3.17Å; I295-L317 HydrophobicContact CD1-CD2 4.02Å; Y313-L317 HydrophobicContact CD1-CD1 4.45Å; Y313-L317 HydrophobicContact CE1-CD1 3.88Å; Y313-L317 HydrophobicContact CE2-CD1 4.01Å; Y313-L317 HydrophobicContact CE2-CG 4.44Å; Y313-L317 PolarHBondContact O-N 2.86Å; F314-L317 HydrophobicContact CD1-CD1 4.34Å; F314-L317 PolarHBondContact O-N 3.06Å; L317-H319 PolarHBondContact O-N 2.98Å; L317-F323 HydrophobicContact CD2-CD2 3.97Å; L317-F323 HydrophobicContact CD2-CE2 4.17Å
318	N	96.8	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71.9	-27.5	-177.4	-171.1	71.3	0	0	0	113.7	N244 V246 F282 F314 T316 A328 C329	N244-N318 WeakPolarHBondContact CB-OD1 3.38Å; N244-N318 PolarHBondContact ND2-OD1 3.09Å; N244-N318 VanDerWaalsContact ND2-OD1 3.14Å; V246-N318 HydrophobicContact CB-CB 4.01Å; V246-N318 HydrophobicContact CG1-CB 4.09Å; V246-N318 HydrophobicContact CG2-CB 4.01Å; F282-N318 HydrophobicContact CZ-CB 4.09Å; F314-N318 VanDerWaalsContact O-CB 3.26Å; F314-N318 WeakPolarHBondContact O-CB 3.29Å; F314-N318 PolarHBondContact O-N 3.02Å; T316-N318 VanDerWaalsContact C-N 3.31Å; T316-N318 PolarHBondContact O-N 3.25Å; N318-A328 CarbonylContact O-C 3.49Å; N318-A328 WeakPolarHBondContact O-CB 3.3Å; N318-A328 WeakPolarHBondContact OD1-CA 3.26Å; N318-C329 PolarHBondContact O-N 3.33Å
319	H	94.9	Very high	97	Very high	19 Å²	19	14.2 Å²	14.2	9%	0.088	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	21.2	-177	-65.8	-68.2	0	0	0	113.5	G248 N270 P315 T316 L317 N331	G248-H319 VanDerWaalsContact CA-NE2 3.34Å; G248-H319 WeakPolarHBondContact CA-NE2 3.38Å; G248-H319 PolarHBondContact N-NE2 3.24Å; N270-H319 HydrophobicContact CB-CB 4.21Å; N270-H319 WeakPolarHBondContact ND2-CB 3.49Å; P315-H319 WeakPolarHBondContact O-CB 3.41Å; P315-H319 PolarHBondContact O-CD2 2.71Å; P315-H319 PolarHBondContact O-N 3.5Å; P315-H319 VanDerWaalsContact O-N 3.07Å; T316-H319 PolarHBondContact O-N 3.48Å; L317-H319 PolarHBondContact O-N 2.98Å; H319-N331 PolarHBondContact ND1-ND2 2.88Å
320	N	95.2	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.			trans	-120.9	75.8	167.1	-78.5	-94.9	0	0	0	108.5	V268 T316 Q322 F323	V268-N320 PolarHBondContact N-OD1 3.37Å; V268-N320 PolarHBondContact O-ND2 3.36Å; T316-N320 WeakPolarHBondContact O-CB 3.05Å; T316-N320 PolarHBondContact O-N 3.48Å; T316-N320 PolarHBondContact O-ND2 3.07Å; N320-Q322 PolarHBondContact O-N 3.33Å; N320-Q322 PolarHBondContact O-OE1 2.75Å; N320-Q322 PolarHBondContact OD1-NE2 3.32Å; N320-F323 HydrophobicContact CB-CD1 4.38Å; N320-F323 HydrophobicContact CB-CD2 3.47Å; N320-F323 VanDerWaalsContact CB-CD2 3.47Å; N320-F323 HydrophobicContact CB-CE1 4.31Å; N320-F323 HydrophobicContact CB-CE2 3.38Å; N320-F323 HydrophobicContact CB-CG 3.99Å; N320-F323 HydrophobicContact CB-CZ 3.83Å; N320-F323 WeakPolarHBondContact O-CB 3.42Å; N320-F323 PolarHBondContact O-N 3Å
321	P	94.4	Very high	95.8	Very high	37 Å²	37	18.1 Å²	18.1	24%	0.24	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-58.3	-21.5	-175.6	23.7	-34.4	0	0	0	113.4	F323 G324 I330 I432	P321-F323 PolarHBondContact O-N 2.84Å; P321-F323 VanDerWaalsContact O-N 3.13Å; P321-G324 PolarHBondContact O-N 2.84Å; P321-I330 HydrophobicContact CB-CG1 4.13Å; P321-I432 HydrophobicContact CB-CD1 3.97Å; P321-I432 HydrophobicContact CB-CG1 3.98Å
322	Q	94.8	Very high	94.1	Very high	89 Å²	89	22 Å²	22	42%	0.416	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-65.7	-9.2	173	78.4	-79.1	11	0	0	114.5	P266 N320 G324	P266-Q322 PolarHBondContact O-NE2 3.25Å; N320-Q322 PolarHBondContact O-N 3.33Å; N320-Q322 PolarHBondContact O-OE1 2.75Å; N320-Q322 PolarHBondContact OD1-NE2 3.32Å; Q322-G324 VanDerWaalsContact C-N 3.32Å
323	F	96.5	Very high	92	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.048	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-80.1	-16.2	169.1	-60.8	-19.1	0	0	0	112.2	F265 I267 F285 K291 I295 L317 N320 P321 A325	F265-F323 AromaticContact CD2-CE1 3.96Å; F265-F323 HydrophobicContact CD2-CE1 3.96Å; F265-F323 HydrophobicContact CD2-CZ 4.33Å; F265-F323 HydrophobicContact CE2-CE1 4.12Å; F265-F323 HydrophobicContact CE2-CZ 4.13Å; I267-F323 HydrophobicContact CB-CZ 4.32Å; I267-F323 HydrophobicContact CD1-CZ 4.49Å; I267-F323 HydrophobicContact CG1-CZ 4.14Å; F285-F323 WeakPolarHBondContact CE2-O 3.48Å; F285-F323 HydrophobicContact CZ-CB 4.1Å; F285-F323 VanDerWaalsContact CZ-O 3.25Å; F285-F323 WeakPolarHBondContact CZ-O 3.25Å; K291-F323 HydrophobicContact CD-CD1 3.65Å; K291-F323 HydrophobicContact CD-CE1 3.99Å; I295-F323 HydrophobicContact CD1-CE2 3.82Å; I295-F323 HydrophobicContact CD1-CZ 4.02Å; L317-F323 HydrophobicContact CD2-CD2 3.97Å; L317-F323 HydrophobicContact CD2-CE2 4.17Å; N320-F323 HydrophobicContact CB-CD1 4.38Å; N320-F323 HydrophobicContact CB-CD2 3.47Å; N320-F323 VanDerWaalsContact CB-CD2 3.47Å; N320-F323 HydrophobicContact CB-CE1 4.31Å; N320-F323 HydrophobicContact CB-CE2 3.38Å; N320-F323 HydrophobicContact CB-CG 3.99Å; N320-F323 HydrophobicContact CB-CZ 3.83Å; N320-F323 WeakPolarHBondContact O-CB 3.42Å; N320-F323 PolarHBondContact O-N 3Å; P321-F323 PolarHBondContact O-N 2.84Å; P321-F323 VanDerWaalsContact O-N 3.13Å; F323-A325 VanDerWaalsContact C-N 3.27Å; F323-A325 PolarHBondContact O-N 3.2Å
324	G	96.8	Very high	89.9	Confident	39 Å²	39	34.5 Å²	34.5	40%	0.402	19%	0.186	S	C	.	.			trans	70.2	23.2	180	0	0	0	0	0	113.6	P321 Q322	P321-G324 PolarHBondContact O-N 2.84Å; Q322-G324 VanDerWaalsContact C-N 3.32Å
325	A	98	Very high	87.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.			trans	-70.8	131	-178	0	0	0	0	0	110.8	F282 F285 F323 G327 A328	F282-A325 HydrophobicContact CD2-CB 3.69Å; F282-A325 HydrophobicContact CE2-CB 3.47Å; F282-A325 VanDerWaalsContact CE2-CB 3.47Å; F285-A325 HydrophobicContact CD1-CB 3.56Å; F285-A325 HydrophobicContact CD2-CB 4.22Å; F285-A325 HydrophobicContact CE1-CB 3.47Å; F285-A325 VanDerWaalsContact CE1-CB 3.47Å; F285-A325 HydrophobicContact CE2-CB 4.12Å; F285-A325 HydrophobicContact CG-CB 3.96Å; F285-A325 HydrophobicContact CZ-CB 3.76Å; F323-A325 VanDerWaalsContact C-N 3.27Å; F323-A325 PolarHBondContact O-N 3.2Å; A325-G327 PolarHBondContact O-N 2.84Å; A325-A328 HydrophobicContact CB-CB 4.08Å; A325-A328 WeakPolarHBondContact O-CB 3.35Å; A325-A328 PolarHBondContact O-N 2.88Å
326	P	98.5	Very high	85.5	Confident	34 Å²	34	46.4 Å²	46.4	22%	0.221	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	128.3	-175.9	-28.7	36.2	0	0	0	113.6	N244 E281 F282 F285 A328	N244-P326 PolarHBondContact ND2-O 2.79Å; E281-P326 HydrophobicContact CB-CB 3.79Å; E281-P326 HydrophobicContact CB-CG 3.9Å; F282-P326 VanDerWaalsContact CD2-O 3.25Å; F282-P326 WeakPolarHBondContact CD2-O 3.33Å; F285-P326 HydrophobicContact CB-CG 4.43Å; P326-A328 PolarHBondContact O-N 2.85Å
327	G	98.1	Very high	83.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.1	-179.1	0	0	0	0	0	114.5	G242 N244 A325 I432	G242-G327 WeakPolarHBondContact O-CA 3.42Å; N244-G327 PolarHBondContact N-O 3.26Å; N244-G327 VanDerWaalsContact ND2-C 3.26Å; N244-G327 PolarHBondContact ND2-O 3.39Å; A325-G327 PolarHBondContact O-N 2.84Å; G327-I432 WeakPolarHBondContact CA-O 3.43Å; G327-I432 PolarHBondContact N-O 2.75Å
328	A	97.1	Very high	81.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.			trans	-63.5	139.4	174.9	0	0	0	0	0	111.1	N318 A325 P326 H431 I432	N318-A328 CarbonylContact O-C 3.49Å; N318-A328 WeakPolarHBondContact O-CB 3.3Å; N318-A328 WeakPolarHBondContact OD1-CA 3.26Å; A325-A328 HydrophobicContact CB-CB 4.08Å; A325-A328 WeakPolarHBondContact O-CB 3.35Å; A325-A328 PolarHBondContact O-N 2.88Å; P326-A328 PolarHBondContact O-N 2.85Å; A328-H431 CarbonylContact O-C 3.53Å; A328-H431 WeakPolarHBondContact O-CA 3.34Å; A328-H431 VanDerWaalsContact O-CB 3.24Å; A328-H431 WeakPolarHBondContact O-CB 3.24Å; A328-I432 HydrophobicContact CB-CG1 4.27Å; A328-I432 PolarHBondContact O-N 3.22Å
329	C	94.6	Very high	80	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-78.8	131.6	-173.4	-171.1	0	0	0	0	112.1	N318 N331 C427	N318-C329 PolarHBondContact O-N 3.33Å; C329-N331 PolarHBondContact O-N 3.31Å; C329-N331 PolarHBondContact SG-OD1 3.21Å; C329-C427 HydrophobicContact CB-CB 3.72Å; C329-C427 WeakPolarHBondContact CB-SG 3.38Å; C329-C427 WeakPolarHBondContact SG-CB 3.33Å; C329-C427 CovalentContact SG-SG 2.03Å; C329-C427 PolarHBondContact SG-SG 3.21Å
330	I	92.8	Very high	79.3	Confident	45 Å²	45	59.4 Å²	59.4	23%	0.231	33%	0.326	C	S	.	.			trans	-88.8	99.9	174.1	-58.8	171.2	0	0	0	108.1	P321 N332 H426 N430 I432	P321-I330 HydrophobicContact CB-CG1 4.13Å; I330-N332 VanDerWaalsContact CG2-OD1 3.25Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.41Å; I330-N332 PolarHBondContact O-N 3.02Å; I330-H426 PolarHBondContact O-NE2 3.22Å; I330-N430 HydrophobicContact CB-CB 4.43Å; I330-N430 PolarHBondContact N-O 2.91Å; I330-I432 HydrophobicContact CD1-CD1 3.99Å; I330-I432 HydrophobicContact CG1-CD1 4.03Å; I330-I432 HydrophobicContact CG1-CG1 4.28Å
331	N	80.4	Confident	79.1	Confident	55 Å²	55	61.2 Å²	61.2	29%	0.294	33%	0.334	S	S	.	.			trans	-92.9	88.6	175.8	-74	-19.7	0	0	0	110.2	H319 C329 D333	H319-N331 PolarHBondContact ND1-ND2 2.88Å; C329-N331 PolarHBondContact O-N 3.31Å; C329-N331 PolarHBondContact SG-OD1 3.21Å; N331-D333 VanDerWaalsContact C-N 3.34Å
332	N	61.3	Low	79.2	Confident	124 Å²	124	59.7 Å²	59.7	66%	0.663	32%	0.324	S	S	*	.			trans	-73.7	-26.2	175.8	-70.9	-16.3	0	0	0	112.7	I330	I330-N332 VanDerWaalsContact CG2-OD1 3.25Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.41Å; I330-N332 PolarHBondContact O-N 3.02Å
333	D	53.8	Low	79.3	Confident	106 Å²	106	55.5 Å²	55.5	57%	0.567	30%	0.304	S	S	*	.			trans	-136.1	134.3	-174.1	-80.5	-51.2	0	0	0	113.7	N331 K335 N336	N331-D333 VanDerWaalsContact C-N 3.34Å; D333-K335 PolarHBondContact O-N 3.45Å; D333-N336 PolarHBondContact O-N 3.25Å
334	K	54.2	Low	79.3	Confident	165 Å²	165	55.2 Å²	55.2	72%	0.717	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.1	-16.2	173.7	-69.5	174.7	-179.1	168.6	0	113.3	L337	K334-L337 HydrophobicContact CB-CD1 4.5Å; K334-L337 WeakPolarHBondContact O-CD1 3.27Å
335	K	50.8	Low	79.3	Confident	180 Å²	180	53.9 Å²	53.9	78%	0.783	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-74	-24	-179.8	-69.1	-175.9	-179.5	177.2	0	113.2	D333 L337	D333-K335 PolarHBondContact O-N 3.45Å; K335-L337 VanDerWaalsContact C-N 3.35Å; K335-L337 PolarHBondContact O-N 2.85Å
336	N	52.1	Low	79.1	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.374	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-91.2	7.2	-176.8	-69.3	-2.6	0	0	0	114.1	D333 S338 S339 H426	D333-N336 PolarHBondContact O-N 3.25Å; N336-S338 PolarHBondContact O-N 2.97Å; N336-S339 PolarHBondContact O-N 3.37Å; N336-H426 PolarHBondContact ND2-CE1 3.48Å; N336-H426 PolarHBondContact ND2-ND1 3.19Å
337	L	53	Low	78.8	Confident	65 Å²	65	55.2 Å²	55.2	34%	0.34	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.7	-9.4	171.1	-71.4	165.7	0	0	0	113	G248 K334 K335	G248-L337 VanDerWaalsContact O-CD2 3.24Å; G248-L337 WeakPolarHBondContact O-CD2 3.41Å; K334-L337 HydrophobicContact CB-CD1 4.5Å; K334-L337 WeakPolarHBondContact O-CD1 3.27Å; K335-L337 VanDerWaalsContact C-N 3.35Å; K335-L337 PolarHBondContact O-N 2.85Å
338	S	56.6	Low	78.5	Confident	108 Å²	108	62.2 Å²	62.2	76%	0.755	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-89.4	8.1	179.1	-56.1	0	0	0	0	114.6	N336	N336-S338 PolarHBondContact O-N 2.97Å
339	S	65.3	Low	78.1	Confident	48 Å²	48	63.6 Å²	63.6	34%	0.336	33%	0.332	S	S	.	.			trans	-57.1	131.6	173.8	-173.7	0	0	0	0	109.8	N336 F341	N336-S339 PolarHBondContact O-N 3.37Å; S339-F341 PolarHBondContact O-N 2.86Å
340	P	81.8	Confident	77.7	Confident	70 Å²	70	70.2 Å²	70.2	46%	0.455	36%	0.361	S	S	.	.			trans	-60.9	134.7	179.7	25.1	-33.3	0	0	0	110.2	I342 F421 L425	P340-I342 PolarHBondContact O-N 3.39Å; P340-F421 HydrophobicContact CB-CZ 4.42Å; P340-F421 HydrophobicContact CG-CE2 4.14Å; P340-F421 HydrophobicContact CG-CZ 3.83Å; P340-L425 HydrophobicContact CG-CD2 3.73Å
341	F	90.3	Very high	77.4	Confident	39 Å²	39	77.2 Å²	77.2	17%	0.171	39%	0.393	C	S	.	.			trans	-83.3	100.8	175.6	171.2	-117.5	0	0	0	109.9	E247 S273 Y275 S339 A343 R344	E247-F341 HydrophobicContact CB-CB 4.47Å; E247-F341 HydrophobicContact CB-CD2 3.57Å; E247-F341 HydrophobicContact CB-CE2 3.84Å; E247-F341 HydrophobicContact CB-CG 3.97Å; E247-F341 HydrophobicContact CB-CZ 4.44Å; E247-F341 HydrophobicContact CG-CB 4.37Å; E247-F341 HydrophobicContact CG-CD2 4.36Å; E247-F341 HydrophobicContact CG-CG 4.3Å; S273-F341 WeakPolarHBondContact OG-CE1 3.35Å; S273-F341 VanDerWaalsContact OG-CZ 3.3Å; S273-F341 WeakPolarHBondContact OG-CZ 3.26Å; Y275-F341 WeakPolarHBondContact O-CE2 3.44Å; Y275-F341 WeakPolarHBondContact O-CZ 3.35Å; S339-F341 PolarHBondContact O-N 2.86Å; F341-A343 HydrophobicContact CD2-CB 4.32Å; F341-A343 HydrophobicContact CE1-CB 4.29Å; F341-A343 HydrophobicContact CE2-CB 3.51Å; F341-A343 HydrophobicContact CZ-CB 3.51Å; F341-R344 HydrophobicContact CE1-CB 4.01Å
342	I	95.6	Very high	77.7	Confident	5 Å²	5	80.5 Å²	80.5	3%	0.026	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.2	-170.5	63.7	164.8	0	0	0	114.4	V245 P340 R344 E378 F379 F421 Y422 L425	V245-I342 HydrophobicContact CG1-CD1 4.07Å; V245-I342 HydrophobicContact CG1-CG1 3.5Å; V245-I342 HydrophobicContact CG2-CD1 4.04Å; V245-I342 HydrophobicContact CG2-CG1 4.4Å; P340-I342 PolarHBondContact O-N 3.39Å; I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 3.42Å; I342-E378 CarbonylContact O-C 3.48Å; I342-E378 WeakPolarHBondContact O-CA 3.48Å; I342-E378 VanDerWaalsContact O-CB 3.27Å; I342-E378 WeakPolarHBondContact O-CB 3.34Å; I342-F379 HydrophobicContact CD1-CE1 3.93Å; I342-F379 HydrophobicContact CD1-CE2 4.16Å; I342-F379 HydrophobicContact CD1-CZ 3.53Å; I342-F379 HydrophobicContact CG1-CE2 4.48Å; I342-F379 HydrophobicContact CG1-CZ 4.25Å; I342-F379 PolarHBondContact O-N 3.45Å; I342-F421 HydrophobicContact CG2-CE1 3.63Å; I342-F421 HydrophobicContact CG2-CZ 4Å; I342-Y422 HydrophobicContact CB-CE1 4.49Å; I342-Y422 HydrophobicContact CD1-CD1 3.62Å; I342-Y422 HydrophobicContact CD1-CE1 3.96Å; I342-L425 HydrophobicContact CD1-CD1 3.65Å; I342-L425 HydrophobicContact CG1-CD1 4.25Å; I342-L425 HydrophobicContact CG2-CD1 3.97Å; I342-L425 HydrophobicContact CG2-CD2 4.34Å
343	A	97.2	Very high	79.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-34.5	-174.8	0	0	0	0	0	111.3	V245 Y275 F341 F380	V245-A343 HydrophobicContact CG1-CB 3.89Å; Y275-A343 WeakPolarHBondContact O-CB 3.38Å; F341-A343 HydrophobicContact CD2-CB 4.32Å; F341-A343 HydrophobicContact CE1-CB 4.29Å; F341-A343 HydrophobicContact CE2-CB 3.51Å; F341-A343 HydrophobicContact CZ-CB 3.51Å; A343-F380 PolarHBondContact O-N 2.92Å
344	R	97.2	Very high	81.1	Confident	5 Å²	5	73.8 Å²	73.8	2%	0.019	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.4	-177.6	-64	-61.1	-177.2	-95.1	9.9	114.3	N219 E224 Y275 F341 I342 V346 F380	N219-R344 PolarHBondContact O-NH2 2.87Å; E224-R344 WeakPolarHBondContact OE1-CD 3.18Å; E224-R344 IonicContact OE1-CZ 2.62Å; E224-R344 IonicContact OE1-NE 2.71Å; E224-R344 PolarHBondContact OE1-NE 3.08Å; E224-R344 IonicContact OE1-NH2 2.7Å; E224-R344 IonicContact OE2-CZ 3.14Å; E224-R344 IonicContact OE2-NE 3.26Å; E224-R344 PolarHBondContact OE2-NE 3.45Å; E224-R344 IonicContact OE2-NH2 3.29Å; E224-R344 PolarHBondContact OE2-NH2 3.45Å; Y275-R344 HydrophobicContact CD2-CG 3.75Å; Y275-R344 HydrophobicContact CG-CG 3.62Å; F341-R344 HydrophobicContact CE1-CB 4.01Å; I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 3.42Å; R344-V346 HydrophobicContact CB-CG2 3.57Å; R344-V346 PolarHBondContact O-N 2.99Å; R344-F380 CarbonylContact C-O 3.48Å; R344-F380 WeakPolarHBondContact CA-O 3.34Å
345	Y	96.2	Very high	82.9	Confident	12 Å²	12	66.8 Å²	66.8	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.6	158.4	176.5	-135.4	0	0	0	109.3	N347 I365 R376 E378 F380 V381 N382	Y345-N347 WeakPolarHBondContact CE2-OD1 3.49Å; Y345-N347 PolarHBondContact OH-ND2 3.33Å; Y345-N347 PolarHBondContact OH-OD1 2.06Å; Y345-I365 HydrophobicContact CE1-CD1 4.34Å; Y345-R376 HydrophobicContact CD1-CG 3.84Å; Y345-R376 HydrophobicContact CD2-CG 4.44Å; Y345-R376 VanDerWaalsContact CD2-NE 3.26Å; Y345-R376 HydrophobicContact CE1-CG 4.16Å; Y345-R376 VanDerWaalsContact CE2-CZ 3.4Å; Y345-R376 HydrophobicContact CG-CG 3.99Å; Y345-E378 WeakPolarHBondContact CA-OE1 3.14Å; Y345-F380 PolarHBondContact N-O 3.1Å; Y345-V381 HydrophobicContact CD1-CB 4.12Å; Y345-V381 HydrophobicContact CD1-CG2 3.59Å; Y345-V381 HydrophobicContact CE1-CG2 4.33Å; Y345-V381 HydrophobicContact CG-CG2 4.4Å; Y345-V381 WeakPolarHBondContact O-CA 3.03Å; Y345-N382 PolarHBondContact O-N 3.22Å
346	V	94.3	Very high	84.8	Confident	28 Å²	28	65.1 Å²	65.1	17%	0.17	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.4	179.2	-164.1	0	0	0	0	109.7	R344 W348 V362 N382	R344-V346 HydrophobicContact CB-CG2 3.57Å; R344-V346 PolarHBondContact O-N 2.99Å; V346-W348 HydrophobicContact CG1-CD2 4.34Å; V346-W348 HydrophobicContact CG1-CZ2 4Å; V346-V362 HydrophobicContact CG1-CG1 3.96Å; V346-N382 HydrophobicContact CG1-CB 4.43Å; V346-N382 HydrophobicContact CG2-CB 3.85Å
347	N	92.5	Very high	86.8	Confident	34 Å²	34	64.9 Å²	64.9	18%	0.182	34%	0.338	C	S	.	.			trans	-101.1	130.2	169.8	-69.7	-19.9	0	0	0	109.9	Y345 C363	Y345-N347 WeakPolarHBondContact CE2-OD1 3.49Å; Y345-N347 PolarHBondContact OH-ND2 3.33Å; Y345-N347 PolarHBondContact OH-OD1 2.06Å; N347-C363 HydrophobicContact CB-CB 3.73Å; N347-C363 VanDerWaalsContact O-CB 3.23Å; N347-C363 WeakPolarHBondContact O-CB 3.17Å; N347-C363 PolarHBondContact O-N 2.86Å
348	W	91.1	Very high	88.8	Confident	148 Å²	148	64 Å²	64	56%	0.561	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-110.3	141	-178.5	-64.1	92.8	0	0	0	111.8	V346 V362	V346-W348 HydrophobicContact CG1-CD2 4.34Å; V346-W348 HydrophobicContact CG1-CZ2 4Å; W348-V362 HydrophobicContact CE3-CG2 3.9Å; W348-V362 HydrophobicContact CH2-CG2 3.62Å; W348-V362 HydrophobicContact CZ2-CG2 4.32Å; W348-V362 HydrophobicContact CZ3-CG2 3.37Å
349	G	88.7	Confident	90.5	Very high	28 Å²	28	65.8 Å²	65.8	29%	0.289	33%	0.325	S	S	.	.	S	Bend	trans	85.3	150.3	174.6	0	0	0	0	0	114	C353 T361	G349-C353 WeakPolarHBondContact O-CB 3.48Å; G349-C353 PolarHBondContact O-N 2.93Å; G349-T361 PolarHBondContact N-O 3.33Å
350	K	86.4	Confident	91.7	Very high	139 Å²	139	70 Å²	70	60%	0.604	33%	0.334	S	S	*	.	S	Bend	trans	-68.7	-37.4	-176.6	-170.7	179.4	179.9	-177.4	0	112.9	N352 C353 T358	K350-N352 VanDerWaalsContact C-N 3.32Å; K350-N352 PolarHBondContact O-N 3.46Å; K350-C353 WeakPolarHBondContact O-CB 3.49Å; K350-C353 PolarHBondContact O-N 3.13Å; K350-T358 HydrophobicContact CB-CG2 4.18Å
351	Q	87.2	Confident	92.1	Very high	193 Å²	193	70.8 Å²	70.8	90%	0.902	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.2	-175.6	-66.6	176.5	1.4	0	0	112.7	C353	Q351-C353 VanDerWaalsContact C-N 3.34Å
352	N	86	Confident	92.3	Very high	123 Å²	123	69.6 Å²	69.6	66%	0.658	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.7	179	-61.5	-27.4	0	0	0	112.7	K350	K350-N352 VanDerWaalsContact C-N 3.32Å; K350-N352 PolarHBondContact O-N 3.46Å
353	C	93.7	Very high	92.4	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.034	33%	0.332	C	S	.	.			trans	-92.1	107.8	-175.2	-175	0	0	0	0	110.3	G349 K350 Q351 S355 Q356 H357 T358 C363	G349-C353 WeakPolarHBondContact O-CB 3.48Å; G349-C353 PolarHBondContact O-N 2.93Å; K350-C353 WeakPolarHBondContact O-CB 3.49Å; K350-C353 PolarHBondContact O-N 3.13Å; Q351-C353 VanDerWaalsContact C-N 3.34Å; C353-S355 PolarHBondContact O-N 3.29Å; C353-S355 PolarHBondContact SG-OG 2.77Å; C353-Q356 WeakPolarHBondContact O-CA 3.32Å; C353-Q356 PolarHBondContact O-N 3.08Å; C353-H357 PolarHBondContact SG-O 3.29Å; C353-T358 HydrophobicContact CB-CG2 4.07Å; C353-C363 WeakPolarHBondContact CA-SG 3.48Å; C353-C363 HydrophobicContact CB-CB 3.65Å; C353-C363 WeakPolarHBondContact CB-SG 3.4Å; C353-C363 VanDerWaalsContact SG-CA 3.53Å; C353-C363 WeakPolarHBondContact SG-CB 3.42Å; C353-C363 CovalentContact SG-SG 2.03Å; C353-C363 PolarHBondContact SG-SG 3.41Å
354	L	92.4	Very high	92.3	Very high	84 Å²	84	69.3 Å²	69.3	44%	0.44	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.9	-176.7	-60.4	175.9	0	0	0	113.1	Q356 A368 F372	L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-A368 HydrophobicContact CB-CB 3.82Å; L354-A368 WeakPolarHBondContact CD1-O 3.2Å; L354-F372 HydrophobicContact CD1-CD2 3.99Å; L354-F372 HydrophobicContact CD1-CE2 3.42Å; L354-F372 VanDerWaalsContact CD1-CE2 3.42Å; L354-F372 HydrophobicContact CD1-CZ 4.24Å
355	S	92.6	Very high	92.3	Very high	18 Å²	18	69.1 Å²	69.1	13%	0.126	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	175.2	67.7	0	0	0	0	113.2	C353 H357 I364 H369	C353-S355 PolarHBondContact O-N 3.29Å; C353-S355 PolarHBondContact SG-OG 2.77Å; S355-H357 PolarHBondContact O-N 3.46Å; S355-H357 PolarHBondContact OG-N 3.22Å; S355-I364 WeakPolarHBondContact CB-O 3.44Å; S355-I364 PolarHBondContact OG-O 3.01Å; S355-H369 PolarHBondContact N-CE1 2.94Å
356	Q	91.7	Very high	92.2	Very high	145 Å²	145	68.5 Å²	68.5	68%	0.678	33%	0.329	S	S	*	.			trans	56.2	9	-174.2	-53.6	-177.7	15.6	0	0	115.1	C353 L354	C353-Q356 WeakPolarHBondContact O-CA 3.32Å; C353-Q356 PolarHBondContact O-N 3.08Å; L354-Q356 VanDerWaalsContact C-N 3.32Å
357	H	93.9	Very high	92	Very high	66 Å²	66	68.9 Å²	68.9	31%	0.306	33%	0.328	S	S	.	.			trans	-110.8	123.1	-177.7	-171.9	53.8	0	0	0	109.8	C353 S355 I364 Q385 F388	C353-H357 PolarHBondContact SG-O 3.29Å; S355-H357 PolarHBondContact O-N 3.46Å; S355-H357 PolarHBondContact OG-N 3.22Å; H357-I364 PolarHBondContact O-N 2.94Å; H357-Q385 PolarHBondContact NE2-OE1 3.41Å; H357-F388 HydrophobicContact CB-CD2 4.34Å; H357-F388 HydrophobicContact CB-CE1 3.85Å; H357-F388 HydrophobicContact CB-CE2 3.61Å; H357-F388 HydrophobicContact CB-CZ 3.31Å; H357-F388 AromaticContact CD2-CD1 3.84Å; H357-F388 AromaticContact CD2-CD2 3.55Å; H357-F388 AromaticContact CD2-CE1 3.98Å; H357-F388 AromaticContact CD2-CE2 3.72Å; H357-F388 AromaticContact CD2-CG 3.6Å; H357-F388 AromaticContact CD2-CZ 3.93Å; H357-F388 AromaticContact CG-CD2 3.99Å; H357-F388 AromaticContact CG-CE2 3.71Å; H357-F388 AromaticContact CG-CZ 3.86Å
358	T	94.7	Very high	92	Very high	46 Å²	46	68.7 Å²	68.7	28%	0.282	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.1	-176.9	68.3	0	0	0	0	111	K350 C353 V362	K350-T358 HydrophobicContact CB-CG2 4.18Å; C353-T358 HydrophobicContact CB-CG2 4.07Å; T358-V362 CarbonylContact C-O 3.54Å; T358-V362 WeakPolarHBondContact CA-O 3.47Å; T358-V362 WeakPolarHBondContact CB-O 3.41Å
359	R	92.5	Very high	92.2	Very high	145 Å²	145	61.7 Å²	61.7	55%	0.547	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.6	171.1	-177.9	64.6	173.9	178.9	-1.4	108.7	T361 V362 I364	R359-T361 VanDerWaalsContact C-N 3.28Å; R359-T361 PolarHBondContact O-N 3.07Å; R359-V362 PolarHBondContact N-O 2.84Å; R359-V362 PolarHBondContact O-N 3.41Å; R359-V362 VanDerWaalsContact O-N 3.15Å; R359-I364 HydrophobicContact CB-CD1 3.94Å
360	R	89.6	Confident	92.5	Very high	137 Å²	137	60.3 Å²	60.3	52%	0.517	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.3	-175	-59.6	179.8	177.1	154.8	-2.1	110.9	W190 V362	W190-R360 VanDerWaalsContact CB-NH1 3.34Å; W190-R360 VanDerWaalsContact CG-CZ 3.46Å; R360-V362 PolarHBondContact O-N 3.5Å
361	T	91.6	Very high	92.9	Very high	87 Å²	87	55.2 Å²	55.2	53%	0.534	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-7.7	-177.5	72.1	0	0	0	0	117.3	G349 R359	G349-T361 PolarHBondContact N-O 3.33Å; R359-T361 VanDerWaalsContact C-N 3.28Å; R359-T361 PolarHBondContact O-N 3.07Å
362	V	94.1	Very high	93.2	Very high	13 Å²	13	50.3 Å²	50.3	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.5	170.5	-179.4	0	0	0	0	109.8	V346 W348 T358 R359 R360 K383	V346-V362 HydrophobicContact CG1-CG1 3.96Å; W348-V362 HydrophobicContact CE3-CG2 3.9Å; W348-V362 HydrophobicContact CH2-CG2 3.62Å; W348-V362 HydrophobicContact CZ2-CG2 4.32Å; W348-V362 HydrophobicContact CZ3-CG2 3.37Å; T358-V362 CarbonylContact C-O 3.54Å; T358-V362 WeakPolarHBondContact CA-O 3.47Å; T358-V362 WeakPolarHBondContact CB-O 3.41Å; R359-V362 PolarHBondContact N-O 2.84Å; R359-V362 PolarHBondContact O-N 3.41Å; R359-V362 VanDerWaalsContact O-N 3.15Å; R360-V362 PolarHBondContact O-N 3.5Å; V362-K383 HydrophobicContact CG1-CD 4.16Å; V362-K383 HydrophobicContact CG1-CG 4.05Å
363	C	96.4	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.6	173.5	-176.9	0	0	0	0	111.1	N347 C353 H369	N347-C363 HydrophobicContact CB-CB 3.73Å; N347-C363 VanDerWaalsContact O-CB 3.23Å; N347-C363 WeakPolarHBondContact O-CB 3.17Å; N347-C363 PolarHBondContact O-N 2.86Å; C353-C363 WeakPolarHBondContact CA-SG 3.48Å; C353-C363 HydrophobicContact CB-CB 3.65Å; C353-C363 WeakPolarHBondContact CB-SG 3.4Å; C353-C363 VanDerWaalsContact SG-CA 3.53Å; C353-C363 WeakPolarHBondContact SG-CB 3.42Å; C353-C363 CovalentContact SG-SG 2.03Å; C353-C363 PolarHBondContact SG-SG 3.41Å; C363-H369 VanDerWaalsContact SG-CE1 3.58Å; C363-H369 PolarHBondContact SG-NE2 3.46Å
364	I	96.6	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-84.3	124.5	174	-54	-54.8	0	0	0	108.5	S355 H357 R359 G366 K383 Q385 F388	S355-I364 WeakPolarHBondContact CB-O 3.44Å; S355-I364 PolarHBondContact OG-O 3.01Å; H357-I364 PolarHBondContact O-N 2.94Å; R359-I364 HydrophobicContact CB-CD1 3.94Å; I364-G366 PolarHBondContact O-N 3.29Å; I364-K383 WeakPolarHBondContact CA-O 3.31Å; I364-K383 HydrophobicContact CD1-CD 4.07Å; I364-K383 HydrophobicContact CD1-CG 3.65Å; I364-Q385 HydrophobicContact CD1-CG 4.06Å; I364-Q385 HydrophobicContact CG1-CG 4.34Å; I364-Q385 HydrophobicContact CG2-CB 4.22Å; I364-Q385 HydrophobicContact CG2-CG 4.01Å; I364-F388 HydrophobicContact CB-CD1 4.14Å; I364-F388 HydrophobicContact CB-CE1 4.29Å; I364-F388 HydrophobicContact CG2-CB 4.47Å; I364-F388 HydrophobicContact CG2-CD1 3.5Å; I364-F388 HydrophobicContact CG2-CE1 4.1Å; I364-F388 HydrophobicContact CG2-CG 4.27Å
365	I	95.7	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64	135.1	179.3	-55.3	-58.4	0	0	0	109.5	Y345 H369 V381 K383 F384	Y345-I365 HydrophobicContact CE1-CD1 4.34Å; I365-H369 HydrophobicContact CG2-CB 3.84Å; I365-V381 HydrophobicContact CD1-CG2 3.8Å; I365-V381 HydrophobicContact CG1-CG2 3.55Å; I365-K383 PolarHBondContact N-O 3.47Å; I365-F384 HydrophobicContact CB-CD1 3.83Å; I365-F384 HydrophobicContact CB-CE1 3.54Å; I365-F384 HydrophobicContact CB-CE2 4.46Å; I365-F384 HydrophobicContact CB-CG 4.41Å; I365-F384 HydrophobicContact CB-CZ 3.88Å; I365-F384 HydrophobicContact CG1-CE1 4.44Å; I365-F384 HydrophobicContact CG1-CZ 4.32Å; I365-F384 HydrophobicContact CG2-CD1 4.11Å; I365-F384 HydrophobicContact CG2-CE1 3.33Å; I365-F384 HydrophobicContact CG2-CZ 3.64Å
366	G	93.9	Very high	93.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.			trans	-144.3	178.5	-175.8	0	0	0	0	0	110.3	I364 A368 H369 A392	I364-G366 PolarHBondContact O-N 3.29Å; G366-A368 PolarHBondContact O-N 2.99Å; G366-A368 VanDerWaalsContact O-N 3.08Å; G366-H369 PolarHBondContact N-ND1 3.13Å; G366-H369 VanDerWaalsContact N-ND1 3.14Å; G366-H369 WeakPolarHBondContact O-CB 3.41Å; G366-H369 PolarHBondContact O-N 3.17Å; G366-H369 PolarHBondContact O-ND1 3.45Å; G366-A392 VanDerWaalsContact C-CB 3.41Å
367	K	91.2	Very high	94	Very high	35 Å²	35	44.5 Å²	44.5	15%	0.152	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.4	-38.2	-172.3	68.2	-175.2	-177.8	-179.9	0	113.6	H78 F81 H369 L370 I391	H78-K367 PolarHBondContact NE2-NZ 3.02Å; H78-K367 VanDerWaalsContact NE2-NZ 3.15Å; F81-K367 HydrophobicContact CE2-CD 4.19Å; K367-H369 PolarHBondContact O-N 2.91Å; K367-H369 VanDerWaalsContact O-N 3.13Å; K367-L370 WeakPolarHBondContact O-CB 3.48Å; K367-L370 WeakPolarHBondContact O-CG 3.49Å; K367-L370 PolarHBondContact O-N 3.49Å; K367-L370 VanDerWaalsContact O-N 3.1Å; K367-I391 HydrophobicContact CB-CG2 4.28Å
368	A	92.4	Very high	94.2	Very high	31 Å²	31	42.2 Å²	42.2	26%	0.256	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65.3	-15.3	-179.5	0	0	0	0	0	114.1	L354 G366	L354-A368 HydrophobicContact CB-CB 3.82Å; L354-A368 WeakPolarHBondContact CD1-O 3.2Å; G366-A368 PolarHBondContact O-N 2.99Å; G366-A368 VanDerWaalsContact O-N 3.08Å
369	H	94.8	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-89	-16.8	176.9	-60.8	89.3	0	0	0	113	S355 C363 I365 G366 K367 P371 F372	S355-H369 PolarHBondContact N-CE1 2.94Å; C363-H369 VanDerWaalsContact SG-CE1 3.58Å; C363-H369 PolarHBondContact SG-NE2 3.46Å; I365-H369 HydrophobicContact CG2-CB 3.84Å; G366-H369 PolarHBondContact N-ND1 3.13Å; G366-H369 VanDerWaalsContact N-ND1 3.14Å; G366-H369 WeakPolarHBondContact O-CB 3.41Å; G366-H369 PolarHBondContact O-N 3.17Å; G366-H369 PolarHBondContact O-ND1 3.45Å; K367-H369 PolarHBondContact O-N 2.91Å; K367-H369 VanDerWaalsContact O-N 3.13Å; H369-P371 VanDerWaalsContact C-CD 3.45Å; H369-P371 VanDerWaalsContact C-N 3.35Å; H369-F372 PolarHBondContact O-N 2.91Å
370	L	94.5	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56.1	-39.1	-173.7	-69.2	173.6	0	0	0	113.9	L68 F69 K367 F372 I373 P374 C395	L68-L370 HydrophobicContact CB-CB 4.33Å; L68-L370 HydrophobicContact CB-CD1 3.65Å; L68-L370 HydrophobicContact CD1-CD1 3.65Å; L68-L370 HydrophobicContact CG-CD1 4.2Å; F69-L370 HydrophobicContact CD1-CB 4.13Å; F69-L370 WeakPolarHBondContact CD1-O 3.26Å; F69-L370 HydrophobicContact CE1-CB 4.36Å; F69-L370 HydrophobicContact CE1-CD2 4.09Å; K367-L370 WeakPolarHBondContact O-CB 3.48Å; K367-L370 WeakPolarHBondContact O-CG 3.49Å; K367-L370 PolarHBondContact O-N 3.49Å; K367-L370 VanDerWaalsContact O-N 3.1Å; L370-F372 PolarHBondContact O-N 3.45Å; L370-I373 HydrophobicContact CD2-CG1 4.32Å; L370-I373 WeakPolarHBondContact O-CB 3.33Å; L370-I373 PolarHBondContact O-N 3.36Å; L370-I373 VanDerWaalsContact O-N 3.08Å; L370-P374 WeakPolarHBondContact O-CD 3.33Å; L370-C395 HydrophobicContact CD1-CB 3.84Å; L370-C395 HydrophobicContact CD2-CB 3.74Å; L370-C395 HydrophobicContact CG-CB 4.45Å
371	P	94.8	Very high	95	Very high	31 Å²	31	26.6 Å²	26.6	20%	0.201	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.7	176.7	-26	34.7	0	0	0	115.1	L68 F69 H369	L68-P371 WeakPolarHBondContact O-CD 3.15Å; L68-P371 WeakPolarHBondContact O-CG 3.06Å; F69-P371 WeakPolarHBondContact O-CA 3.28Å; H369-P371 VanDerWaalsContact C-CD 3.45Å; H369-P371 VanDerWaalsContact C-N 3.35Å
372	F	94.4	Very high	95.2	Very high	91 Å²	91	22.8 Å²	22.8	40%	0.399	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-92.1	-14.8	-178.8	-54.4	-81.4	0	0	0	113.1	L354 H369 L370 S375 R376	L354-F372 HydrophobicContact CD1-CD2 3.99Å; L354-F372 HydrophobicContact CD1-CE2 3.42Å; L354-F372 VanDerWaalsContact CD1-CE2 3.42Å; L354-F372 HydrophobicContact CD1-CZ 4.24Å; H369-F372 PolarHBondContact O-N 2.91Å; L370-F372 PolarHBondContact O-N 3.45Å; F372-S375 PolarHBondContact O-N 3.24Å; F372-S375 PolarHBondContact O-OG 2.81Å; F372-S375 VanDerWaalsContact O-OG 3.11Å; F372-R376 VanDerWaalsContact O-CG 3.31Å; F372-R376 WeakPolarHBondContact O-CG 3.1Å; F372-R376 PolarHBondContact O-N 3.28Å
373	I	95	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-47.8	-176.9	-67	-66.3	0	0	0	111.5	L227 L370 S375 R376 T396 Y399	L227-I373 HydrophobicContact CD2-CD1 3.99Å; L227-I373 HydrophobicContact CD2-CG2 3.88Å; L370-I373 HydrophobicContact CD2-CG1 4.32Å; L370-I373 WeakPolarHBondContact O-CB 3.33Å; L370-I373 PolarHBondContact O-N 3.36Å; L370-I373 VanDerWaalsContact O-N 3.08Å; I373-S375 VanDerWaalsContact C-N 3.28Å; I373-S375 PolarHBondContact O-N 3.41Å; I373-R376 PolarHBondContact O-N 3.07Å; I373-T396 HydrophobicContact CG2-CG2 4.36Å; I373-Y399 HydrophobicContact CG2-CD1 3.72Å; I373-Y399 HydrophobicContact CG2-CE1 4.11Å; I373-Y399 HydrophobicContact CG2-CG 4.13Å
374	P	93.8	Very high	95.2	Very high	51 Å²	51	23.8 Å²	23.8	33%	0.331	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.3	-178.7	-24.7	36.5	0	0	0	114.7	F69 L370 Y399	F69-P374 HydrophobicContact CB-CG 4.37Å; F69-P374 HydrophobicContact CD1-CG 4.22Å; F69-P374 HydrophobicContact CG-CG 4.26Å; L370-P374 WeakPolarHBondContact O-CD 3.33Å; P374-Y399 WeakPolarHBondContact CA-OH 3.14Å; P374-Y399 HydrophobicContact CB-CE2 3.81Å; P374-Y399 HydrophobicContact CG-CD2 4.25Å; P374-Y399 HydrophobicContact CG-CE2 3.98Å; P374-Y399 PolarHBondContact O-OH 2.86Å
375	S	93.5	Very high	95	Very high	84 Å²	84	26.3 Å²	26.3	59%	0.587	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.9	-176.2	71.1	0	0	0	0	114.2	F372 I373	F372-S375 PolarHBondContact O-N 3.24Å; F372-S375 PolarHBondContact O-OG 2.81Å; F372-S375 VanDerWaalsContact O-OG 3.11Å; I373-S375 VanDerWaalsContact C-N 3.28Å; I373-S375 PolarHBondContact O-N 3.41Å
376	R	94.9	Very high	94.5	Very high	75 Å²	75	29.1 Å²	29.1	28%	0.283	15%	0.153	S	C	.	.			trans	-69.9	148.3	178.5	-69.4	-37.8	-63.3	-172.4	-7	111.1	L227 R228 Y345 F372 I373 E378	L227-R376 HydrophobicContact CD1-CB 3.66Å; L227-R376 HydrophobicContact CD1-CG 4.03Å; R228-R376 PolarHBondContact NH1-O 2.88Å; R228-R376 PolarHBondContact NH2-O 3.28Å; Y345-R376 HydrophobicContact CD1-CG 3.84Å; Y345-R376 HydrophobicContact CD2-CG 4.44Å; Y345-R376 VanDerWaalsContact CD2-NE 3.26Å; Y345-R376 HydrophobicContact CE1-CG 4.16Å; Y345-R376 VanDerWaalsContact CE2-CZ 3.4Å; Y345-R376 HydrophobicContact CG-CG 3.99Å; F372-R376 VanDerWaalsContact O-CG 3.31Å; F372-R376 WeakPolarHBondContact O-CG 3.1Å; F372-R376 PolarHBondContact O-N 3.28Å; I373-R376 PolarHBondContact O-N 3.07Å; R376-E378 WeakPolarHBondContact CB-OE2 3.24Å; R376-E378 IonicContact CZ-OE1 3.4Å; R376-E378 IonicContact CZ-OE2 3.55Å; R376-E378 IonicContact NE-OE1 3.41Å; R376-E378 PolarHBondContact NE-OE1 2.73Å; R376-E378 IonicContact NE-OE2 2.87Å; R376-E378 PolarHBondContact NE-OE2 2.77Å; R376-E378 IonicContact NH2-OE1 2.76Å; R376-E378 PolarHBondContact NH2-OE1 3.46Å; R376-E378 IonicContact NH2-OE2 3.33Å; R376-E378 PolarHBondContact NH2-OE2 2.69Å
377	M	95.5	Very high	94.2	Very high	42 Å²	42	36.4 Å²	36.4	21%	0.207	19%	0.192	C	C	.	.			trans	-106.2	-7.1	179.1	-64.8	-57.5	-73.2	0	0	113.6	R228 D418 F421 Y422	R228-M377 PolarHBondContact NH2-SD 3.07Å; M377-D418 HydrophobicContact CE-CB 4.02Å; M377-F421 HydrophobicContact CB-CD1 4.12Å; M377-F421 HydrophobicContact CB-CE1 3.63Å; M377-F421 HydrophobicContact CB-CZ 3.98Å; M377-F421 HydrophobicContact CE-CB 3.7Å; M377-F421 HydrophobicContact CE-CD1 3.51Å; M377-F421 HydrophobicContact CE-CD2 4.47Å; M377-F421 HydrophobicContact CE-CE1 4.25Å; M377-F421 HydrophobicContact CE-CG 3.64Å; M377-F421 HydrophobicContact CG-CD1 4.37Å; M377-F421 HydrophobicContact CG-CE1 4.22Å; M377-F421 HydrophobicContact CG-CZ 4.37Å; M377-Y422 HydrophobicContact CE-CE2 4.13Å; M377-Y422 PolarHBondContact O-OH 3.31Å
378	E	97.7	Very high	94.2	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	19%	0.193	C	C	.	.	S	Bend	trans	-78.1	159.6	-176.1	-59.1	98.9	136.2	0	0	113.2	L227 R228 I342 Y345 R376	L227-E378 WeakPolarHBondContact CB-O 3.23Å; R228-E378 WeakPolarHBondContact CG-O 3.43Å; I342-E378 CarbonylContact O-C 3.48Å; I342-E378 WeakPolarHBondContact O-CA 3.48Å; I342-E378 VanDerWaalsContact O-CB 3.27Å; I342-E378 WeakPolarHBondContact O-CB 3.34Å; Y345-E378 WeakPolarHBondContact CA-OE1 3.14Å; R376-E378 WeakPolarHBondContact CB-OE2 3.24Å; R376-E378 IonicContact CZ-OE1 3.4Å; R376-E378 IonicContact CZ-OE2 3.55Å; R376-E378 IonicContact NE-OE1 3.41Å; R376-E378 PolarHBondContact NE-OE1 2.73Å; R376-E378 IonicContact NE-OE2 2.87Å; R376-E378 PolarHBondContact NE-OE2 2.77Å; R376-E378 IonicContact NH2-OE1 2.76Å; R376-E378 PolarHBondContact NH2-OE1 3.46Å; R376-E378 IonicContact NH2-OE2 3.33Å; R376-E378 PolarHBondContact NH2-OE2 2.69Å
379	F	98.3	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-69.1	-41.8	-179.9	-62.9	-19.5	0	0	0	112.9	L218 L227 R228 L233 A236 L237 V245 A277 I342 Y422	L218-F379 HydrophobicContact CD2-CD2 4.08Å; L227-F379 PolarHBondContact N-O 2.9Å; R228-F379 HydrophobicContact CG-CD1 4.42Å; R228-F379 PolarHBondContact N-O 2.98Å; L233-F379 HydrophobicContact CD2-CB 3.58Å; L233-F379 HydrophobicContact CD2-CD1 3.6Å; L233-F379 HydrophobicContact CD2-CD2 4.14Å; L233-F379 HydrophobicContact CD2-CE1 4.28Å; L233-F379 HydrophobicContact CD2-CG 3.51Å; A236-F379 HydrophobicContact CB-CE1 3.66Å; A236-F379 HydrophobicContact CB-CZ 4.12Å; L237-F379 HydrophobicContact CD2-CE2 4.15Å; L237-F379 HydrophobicContact CD2-CZ 4.2Å; L237-F379 HydrophobicContact CG-CZ 4.47Å; V245-F379 HydrophobicContact CG1-CE2 4.45Å; V245-F379 HydrophobicContact CG2-CE2 4.07Å; V245-F379 HydrophobicContact CG2-CZ 4.38Å; A277-F379 HydrophobicContact CB-CE2 4.21Å; I342-F379 HydrophobicContact CD1-CE1 3.93Å; I342-F379 HydrophobicContact CD1-CE2 4.16Å; I342-F379 HydrophobicContact CD1-CZ 3.53Å; I342-F379 HydrophobicContact CG1-CE2 4.48Å; I342-F379 HydrophobicContact CG1-CZ 4.25Å; I342-F379 PolarHBondContact O-N 3.45Å; F379-Y422 HydrophobicContact CD1-CE1 4.4Å; F379-Y422 HydrophobicContact CE1-CD1 4.21Å; F379-Y422 AromaticContact CE1-CE1 3.7Å; F379-Y422 HydrophobicContact CE1-CE1 3.7Å
380	F	98.5	Very high	93.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.9	-177.8	-65.1	-106.3	0	0	0	110.2	F125 I143 L218 V220 L225 P226 L233 A343 R344 Y345	F125-F380 HydrophobicContact CE1-CZ 4.05Å; I143-F380 HydrophobicContact CG2-CE1 4.05Å; I143-F380 HydrophobicContact CG2-CZ 4.31Å; L218-F380 HydrophobicContact CD2-CE2 4.14Å; V220-F380 HydrophobicContact CG1-CD1 4.07Å; V220-F380 HydrophobicContact CG1-CE1 3.97Å; V220-F380 HydrophobicContact CG2-CD1 4.43Å; V220-F380 HydrophobicContact CG2-CE1 3.89Å; V220-F380 HydrophobicContact CG2-CE2 4.24Å; V220-F380 HydrophobicContact CG2-CZ 3.8Å; L225-F380 CarbonylContact O-C 3.59Å; L225-F380 VanDerWaalsContact O-CA 3.23Å; L225-F380 WeakPolarHBondContact O-CA 3.48Å; L225-F380 WeakPolarHBondContact O-CB 3.4Å; P226-F380 VanDerWaalsContact CA-CD1 3.47Å; P226-F380 HydrophobicContact CB-CD1 3.98Å; P226-F380 HydrophobicContact CB-CE1 3.78Å; P226-F380 HydrophobicContact CB-CZ 4.29Å; P226-F380 HydrophobicContact CG-CE1 4.41Å; L233-F380 HydrophobicContact CD1-CE2 4.32Å; L233-F380 HydrophobicContact CD1-CZ 4.4Å; L233-F380 HydrophobicContact CD2-CE2 4.47Å; A343-F380 PolarHBondContact O-N 2.92Å; R344-F380 CarbonylContact C-O 3.48Å; R344-F380 WeakPolarHBondContact CA-O 3.34Å; Y345-F380 PolarHBondContact N-O 3.1Å
381	V	97.6	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.4	172.7	51	0	0	0	0	111	E224 L225 L227 Y345 I365 F384 T396	E224-V381 WeakPolarHBondContact CA-O 3.45Å; E224-V381 WeakPolarHBondContact CB-O 3.29Å; L225-V381 HydrophobicContact CB-CG1 4.24Å; L225-V381 PolarHBondContact N-O 2.9Å; L225-V381 WeakPolarHBondContact O-CG1 3.26Å; L225-V381 PolarHBondContact O-N 3.41Å; L227-V381 HydrophobicContact CD1-CB 3.91Å; L227-V381 HydrophobicContact CD1-CG1 4.41Å; L227-V381 HydrophobicContact CD2-CB 4.11Å; L227-V381 HydrophobicContact CD2-CG1 3.74Å; L227-V381 HydrophobicContact CG-CB 3.96Å; L227-V381 HydrophobicContact CG-CG1 3.92Å; Y345-V381 HydrophobicContact CD1-CB 4.12Å; Y345-V381 HydrophobicContact CD1-CG2 3.59Å; Y345-V381 HydrophobicContact CE1-CG2 4.33Å; Y345-V381 HydrophobicContact CG-CG2 4.4Å; Y345-V381 WeakPolarHBondContact O-CA 3.03Å; I365-V381 HydrophobicContact CD1-CG2 3.8Å; I365-V381 HydrophobicContact CG1-CG2 3.55Å; V381-F384 HydrophobicContact CG1-CE2 3.51Å; V381-F384 HydrophobicContact CG1-CZ 3.98Å; V381-F384 HydrophobicContact CG2-CE2 4.46Å; V381-T396 HydrophobicContact CG1-CG2 4.34Å
382	N	95.7	Very high	93.5	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.3	176.1	-166.5	-85.5	0	0	0	109	N221 E224 Y275 Y345 V346	N221-N382 PolarHBondContact ND2-ND2 3.43Å; E224-N382 HydrophobicContact CG-CB 4.23Å; E224-N382 WeakPolarHBondContact CG-ND2 3.09Å; E224-N382 WeakPolarHBondContact OE1-CB 3.28Å; E224-N382 PolarHBondContact OE1-ND2 3.02Å; Y275-N382 PolarHBondContact OH-ND2 3.17Å; Y345-N382 PolarHBondContact O-N 3.22Å; V346-N382 HydrophobicContact CG1-CB 4.43Å; V346-N382 HydrophobicContact CG2-CB 3.85Å
383	K	94.2	Very high	93.5	Very high	31 Å²	31	34.1 Å²	34.1	14%	0.135	18%	0.177	C	C	.	.			cis	-151.9	165.9	0.9	60.9	-171	-68.6	169.2	0	111.8	Q223 V362 I364 I365	Q223-K383 HydrophobicContact CB-CB 4.24Å; Q223-K383 WeakPolarHBondContact O-CA 3.25Å; Q223-K383 WeakPolarHBondContact O-CB 3.36Å; V362-K383 HydrophobicContact CG1-CD 4.16Å; V362-K383 HydrophobicContact CG1-CG 4.05Å; I364-K383 WeakPolarHBondContact CA-O 3.31Å; I364-K383 HydrophobicContact CD1-CD 4.07Å; I364-K383 HydrophobicContact CD1-CG 3.65Å; I365-K383 PolarHBondContact N-O 3.47Å
384	F	95.4	Very high	93.3	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.18	C	C	.	.			trans	-106.7	157.8	175.1	-60.8	-92.9	0	0	0	112	Q223 L225 I365 V381 A392 Y393 T396	Q223-F384 WeakPolarHBondContact CB-O 3.37Å; Q223-F384 PolarHBondContact O-N 2.96Å; L225-F384 HydrophobicContact CB-CD2 4.41Å; L225-F384 HydrophobicContact CB-CE2 3.88Å; L225-F384 HydrophobicContact CD1-CD2 3.98Å; L225-F384 HydrophobicContact CD1-CE2 3.64Å; L225-F384 HydrophobicContact CD1-CZ 3.99Å; L225-F384 HydrophobicContact CG-CD2 3.89Å; L225-F384 HydrophobicContact CG-CE2 3.75Å; I365-F384 HydrophobicContact CB-CD1 3.83Å; I365-F384 HydrophobicContact CB-CE1 3.54Å; I365-F384 HydrophobicContact CB-CE2 4.46Å; I365-F384 HydrophobicContact CB-CG 4.41Å; I365-F384 HydrophobicContact CB-CZ 3.88Å; I365-F384 HydrophobicContact CG1-CE1 4.44Å; I365-F384 HydrophobicContact CG1-CZ 4.32Å; I365-F384 HydrophobicContact CG2-CD1 4.11Å; I365-F384 HydrophobicContact CG2-CE1 3.33Å; I365-F384 HydrophobicContact CG2-CZ 3.64Å; V381-F384 HydrophobicContact CG1-CE2 3.51Å; V381-F384 HydrophobicContact CG1-CZ 3.98Å; V381-F384 HydrophobicContact CG2-CE2 4.46Å; F384-A392 HydrophobicContact CD1-CB 4.49Å; F384-A392 HydrophobicContact CE1-CB 4.18Å; F384-Y393 HydrophobicContact CB-CD2 3.62Å; F384-Y393 HydrophobicContact CB-CE2 4.3Å; F384-Y393 HydrophobicContact CD1-CD2 4.24Å; F384-Y393 HydrophobicContact CD1-CG 4.49Å; F384-Y393 HydrophobicContact CD2-CD2 4.26Å; F384-Y393 AromaticContact CG-CD2 3.8Å; F384-Y393 HydrophobicContact CG-CD2 3.8Å; F384-Y393 HydrophobicContact CG-CG 4.46Å; F384-T396 HydrophobicContact CE2-CG2 4.42Å; F384-T396 HydrophobicContact CZ-CG2 3.96Å; F384-T396 WeakPolarHBondContact CZ-OG1 3.38Å
385	Q	93	Very high	93.3	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	16%	0.164	C	C	.	.			trans	-122.6	132.8	164.2	-67.8	-177.3	-35.2	0	0	108.2	H357 I364 N387 F388	H357-Q385 PolarHBondContact NE2-OE1 3.41Å; I364-Q385 HydrophobicContact CD1-CG 4.06Å; I364-Q385 HydrophobicContact CG1-CG 4.34Å; I364-Q385 HydrophobicContact CG2-CB 4.22Å; I364-Q385 HydrophobicContact CG2-CG 4.01Å; Q385-N387 PolarHBondContact O-N 2.76Å; Q385-F388 HydrophobicContact CB-CB 3.97Å; Q385-F388 PolarHBondContact O-N 2.81Å
386	E	86.1	Confident	93.4	Very high	60 Å²	60	28.2 Å²	28.2	28%	0.28	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-42.7	-178.6	-174.9	-176.8	166.2	0	0	112.8	S132 K134 Q135	S132-E386 VanDerWaalsContact CB-OE2 3.22Å; S132-E386 WeakPolarHBondContact CB-OE2 3.44Å; S132-E386 PolarHBondContact OG-OE2 3.29Å; K134-E386 VanDerWaalsContact CD-OE1 3.23Å; K134-E386 WeakPolarHBondContact CD-OE1 3.34Å; K134-E386 IonicContact NZ-OE1 3.48Å; Q135-E386 HydrophobicContact CG-CB 4.23Å
387	N	87.3	Confident	93.4	Very high	152 Å²	152	25 Å²	25	81%	0.813	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	4.8	-175.5	-61.2	-20.7	0	0	0	114.1	Q385	Q385-N387 PolarHBondContact O-N 2.76Å
388	F	91.5	Very high	93.3	Very high	42 Å²	42	24 Å²	24	18%	0.184	12%	0.118	C	C	.	.	S	Bend	trans	-118.2	111.3	-179.2	-179.3	-100.1	0	0	0	110.6	H357 I364 Q385	H357-F388 HydrophobicContact CB-CD2 4.34Å; H357-F388 HydrophobicContact CB-CE1 3.85Å; H357-F388 HydrophobicContact CB-CE2 3.61Å; H357-F388 HydrophobicContact CB-CZ 3.31Å; H357-F388 AromaticContact CD2-CD1 3.84Å; H357-F388 AromaticContact CD2-CD2 3.55Å; H357-F388 AromaticContact CD2-CE1 3.98Å; H357-F388 AromaticContact CD2-CE2 3.72Å; H357-F388 AromaticContact CD2-CG 3.6Å; H357-F388 AromaticContact CD2-CZ 3.93Å; H357-F388 AromaticContact CG-CD2 3.99Å; H357-F388 AromaticContact CG-CE2 3.71Å; H357-F388 AromaticContact CG-CZ 3.86Å; I364-F388 HydrophobicContact CB-CD1 4.14Å; I364-F388 HydrophobicContact CB-CE1 4.29Å; I364-F388 HydrophobicContact CG2-CB 4.47Å; I364-F388 HydrophobicContact CG2-CD1 3.5Å; I364-F388 HydrophobicContact CG2-CE1 4.1Å; I364-F388 HydrophobicContact CG2-CG 4.27Å; Q385-F388 HydrophobicContact CB-CB 3.97Å; Q385-F388 PolarHBondContact O-N 2.81Å
389	Q	91.1	Very high	93.2	Very high	55 Å²	55	24.5 Å²	24.5	26%	0.257	12%	0.119	S	C	.	.			trans	43.4	58.9	-179.7	-60.4	-170.9	-11.9	0	0	112.9	I391 A392	Q389-I391 PolarHBondContact O-N 2.92Å; Q389-A392 VanDerWaalsContact O-CB 3.28Å; Q389-A392 WeakPolarHBondContact O-CB 3.49Å; Q389-A392 PolarHBondContact O-N 2.68Å
390	P	89	Confident	93	Very high	28 Å²	28	24.6 Å²	24.6	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-25.3	-172.5	15.7	-26.6	0	0	0	114	Q85 A392 Y393 D394	Q85-P390 HydrophobicContact CG-CG 4.29Å; P390-A392 PolarHBondContact O-N 3.12Å; P390-A392 VanDerWaalsContact O-N 3.11Å; P390-Y393 WeakPolarHBondContact O-CA 3.38Å; P390-Y393 VanDerWaalsContact O-CB 3.32Å; P390-Y393 WeakPolarHBondContact O-CB 3.45Å; P390-Y393 PolarHBondContact O-N 3.13Å; P390-D394 PolarHBondContact O-N 3.49Å
391	I	89.1	Confident	92.8	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-53.5	-31.2	171.3	-169.5	62	0	0	0	113.1	I61 V64 L68 F81 K367 Q389 D394 C395	I61-I391 HydrophobicContact CD1-CD1 3.73Å; V64-I391 HydrophobicContact CG1-CD1 3.9Å; V64-I391 HydrophobicContact CG1-CG1 4.41Å; L68-I391 HydrophobicContact CD1-CG1 3.74Å; F81-I391 HydrophobicContact CB-CB 4.47Å; F81-I391 HydrophobicContact CD1-CB 4.24Å; F81-I391 HydrophobicContact CD1-CD1 3.96Å; F81-I391 HydrophobicContact CD1-CG1 3.62Å; F81-I391 HydrophobicContact CD1-CG2 4.48Å; F81-I391 HydrophobicContact CD2-CG2 4.27Å; F81-I391 HydrophobicContact CE1-CD1 4.36Å; F81-I391 HydrophobicContact CE1-CG1 3.86Å; F81-I391 HydrophobicContact CG-CB 4.29Å; F81-I391 HydrophobicContact CG-CG1 4.16Å; F81-I391 HydrophobicContact CG-CG2 4.23Å; F81-I391 HydrophobicContact CZ-CG1 4.5Å; K367-I391 HydrophobicContact CB-CG2 4.28Å; Q389-I391 PolarHBondContact O-N 2.92Å; I391-D394 PolarHBondContact O-N 3.45Å; I391-C395 WeakPolarHBondContact O-CB 3.46Å; I391-C395 PolarHBondContact O-N 3.13Å; I391-C395 PolarHBondContact O-SG 3.12Å; I391-C395 VanDerWaalsContact O-SG 3.36Å
392	A	93.1	Very high	92.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-40.2	175.9	0	0	0	0	0	111.9	G366 F384 Q389 P390 T396	G366-A392 VanDerWaalsContact C-CB 3.41Å; F384-A392 HydrophobicContact CD1-CB 4.49Å; F384-A392 HydrophobicContact CE1-CB 4.18Å; Q389-A392 VanDerWaalsContact O-CB 3.28Å; Q389-A392 WeakPolarHBondContact O-CB 3.49Å; Q389-A392 PolarHBondContact O-N 2.68Å; P390-A392 PolarHBondContact O-N 3.12Å; P390-A392 VanDerWaalsContact O-N 3.11Å; A392-T396 WeakPolarHBondContact O-CB 3.34Å; A392-T396 PolarHBondContact O-N 3.11Å; A392-T396 VanDerWaalsContact O-N 3.08Å; A392-T396 PolarHBondContact O-OG1 2.73Å
393	Y	93.2	Very high	92.5	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-51.3	172.8	-167.6	-62.9	0	0	0	109.5	Q135 R138 L225 F384 P390 C395 T396 E397	Q135-Y393 HydrophobicContact CB-CE2 4.43Å; Q135-Y393 HydrophobicContact CG-CE2 3.97Å; Q135-Y393 PolarHBondContact O-OH 2.89Å; R138-Y393 HydrophobicContact CB-CE1 4.1Å; R138-Y393 WeakPolarHBondContact CB-OH 3.22Å; L225-Y393 HydrophobicContact CD1-CD1 3.69Å; L225-Y393 HydrophobicContact CD1-CD2 3.9Å; L225-Y393 HydrophobicContact CD1-CE1 3.74Å; L225-Y393 HydrophobicContact CD1-CE2 3.94Å; L225-Y393 HydrophobicContact CD1-CG 3.79Å; L225-Y393 HydrophobicContact CD2-CD1 4.46Å; L225-Y393 HydrophobicContact CD2-CE1 3.66Å; L225-Y393 HydrophobicContact CD2-CE2 3.7Å; L225-Y393 WeakPolarHBondContact CD2-OH 3.11Å; L225-Y393 HydrophobicContact CG-CD2 4.3Å; L225-Y393 HydrophobicContact CG-CE1 4.22Å; L225-Y393 HydrophobicContact CG-CE2 3.91Å; F384-Y393 HydrophobicContact CB-CD2 3.62Å; F384-Y393 HydrophobicContact CB-CE2 4.3Å; F384-Y393 HydrophobicContact CD1-CD2 4.24Å; F384-Y393 HydrophobicContact CD1-CG 4.49Å; F384-Y393 HydrophobicContact CD2-CD2 4.26Å; F384-Y393 AromaticContact CG-CD2 3.8Å; F384-Y393 HydrophobicContact CG-CD2 3.8Å; F384-Y393 HydrophobicContact CG-CG 4.46Å; P390-Y393 WeakPolarHBondContact O-CA 3.38Å; P390-Y393 VanDerWaalsContact O-CB 3.32Å; P390-Y393 WeakPolarHBondContact O-CB 3.45Å; P390-Y393 PolarHBondContact O-N 3.13Å; Y393-C395 VanDerWaalsContact C-N 3.3Å; Y393-C395 PolarHBondContact O-N 3.2Å; Y393-T396 PolarHBondContact O-N 3.37Å; Y393-T396 VanDerWaalsContact O-N 3.12Å; Y393-E397 PolarHBondContact O-N 2.9Å
394	D	91.2	Very high	92.6	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-41	-176.8	-63.3	-23.6	0	0	0	112.2	I61 R138 P390 I391 E397 Y398	I61-D394 HydrophobicContact CD1-CB 4.15Å; R138-D394 IonicContact CZ-OD1 3.14Å; R138-D394 VanDerWaalsContact CZ-OD1 3.26Å; R138-D394 IonicContact NH1-OD1 2.85Å; R138-D394 PolarHBondContact NH1-OD1 2.87Å; R138-D394 IonicContact NH2-OD1 2.72Å; R138-D394 PolarHBondContact NH2-OD1 3.14Å; P390-D394 PolarHBondContact O-N 3.49Å; I391-D394 PolarHBondContact O-N 3.45Å; D394-E397 PolarHBondContact O-N 3.2Å; D394-Y398 WeakPolarHBondContact O-CB 3.17Å; D394-Y398 PolarHBondContact O-N 3.27Å
395	C	93.3	Very high	92.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.6	-37.5	175.8	-68.2	0	0	0	0	113.1	C65 F69 L370 I391 Y393 E397 Y398 Y399	C65-C395 WeakPolarHBondContact CA-SG 3.19Å; C65-C395 HydrophobicContact CB-CB 3.62Å; C65-C395 WeakPolarHBondContact CB-SG 3.5Å; C65-C395 WeakPolarHBondContact SG-CA 3.27Å; C65-C395 WeakPolarHBondContact SG-CB 3.39Å; C65-C395 CovalentContact SG-SG 2.05Å; C65-C395 PolarHBondContact SG-SG 3.34Å; F69-C395 HydrophobicContact CE1-CB 4.22Å; F69-C395 HydrophobicContact CZ-CB 4.07Å; F69-C395 VanDerWaalsContact CZ-O 3.31Å; F69-C395 WeakPolarHBondContact CZ-O 3.19Å; L370-C395 HydrophobicContact CD1-CB 3.84Å; L370-C395 HydrophobicContact CD2-CB 3.74Å; L370-C395 HydrophobicContact CG-CB 4.45Å; I391-C395 WeakPolarHBondContact O-CB 3.46Å; I391-C395 PolarHBondContact O-N 3.13Å; I391-C395 PolarHBondContact O-SG 3.12Å; I391-C395 VanDerWaalsContact O-SG 3.36Å; Y393-C395 VanDerWaalsContact C-N 3.3Å; Y393-C395 PolarHBondContact O-N 3.2Å; C395-E397 VanDerWaalsContact C-N 3.29Å; C395-E397 PolarHBondContact O-N 2.87Å; C395-Y398 WeakPolarHBondContact O-CB 3.34Å; C395-Y398 PolarHBondContact O-N 2.97Å; C395-Y399 WeakPolarHBondContact O-CB 2.96Å; C395-Y399 PolarHBondContact O-N 2.94Å
396	T	95.8	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-40	173.9	-55.1	0	0	0	0	111	L225 L227 I373 V381 F384 A392 Y393 Y399 I400	L225-T396 HydrophobicContact CB-CG2 4.1Å; L225-T396 HydrophobicContact CD1-CG2 3.85Å; L227-T396 HydrophobicContact CD2-CG2 4.25Å; I373-T396 HydrophobicContact CG2-CG2 4.36Å; V381-T396 HydrophobicContact CG1-CG2 4.34Å; F384-T396 HydrophobicContact CE2-CG2 4.42Å; F384-T396 HydrophobicContact CZ-CG2 3.96Å; F384-T396 WeakPolarHBondContact CZ-OG1 3.38Å; A392-T396 WeakPolarHBondContact O-CB 3.34Å; A392-T396 PolarHBondContact O-N 3.11Å; A392-T396 VanDerWaalsContact O-N 3.08Å; A392-T396 PolarHBondContact O-OG1 2.73Å; Y393-T396 PolarHBondContact O-N 3.37Å; Y393-T396 VanDerWaalsContact O-N 3.12Å; T396-Y399 PolarHBondContact O-N 2.91Å; T396-I400 WeakPolarHBondContact O-CG2 3.29Å; T396-I400 PolarHBondContact O-N 3.14Å
397	E	94.4	Very high	92.9	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-46.5	171.5	176.2	168.8	154.4	0	0	111.8	W88 R138 R141 L142 Y393 D394 C395 Y399 I400 M401	W88-E397 WeakPolarHBondContact CH2-OE1 3.48Å; W88-E397 VanDerWaalsContact CZ2-OE1 3.31Å; W88-E397 WeakPolarHBondContact CZ2-OE1 3.27Å; R138-E397 IonicContact CZ-OE2 3.61Å; R138-E397 IonicContact NE-OE2 2.97Å; R138-E397 PolarHBondContact NE-OE2 3Å; R138-E397 IonicContact NH2-OE2 3.85Å; R138-E397 PolarHBondContact NH2-OE2 2.9Å; R141-E397 IonicContact CZ-OE1 3.92Å; R141-E397 IonicContact NH1-OE1 2.76Å; R141-E397 PolarHBondContact NH1-OE1 2.71Å; L142-E397 HydrophobicContact CD1-CG 4.45Å; L142-E397 HydrophobicContact CD2-CB 4.34Å; L142-E397 HydrophobicContact CD2-CG 3.81Å; L142-E397 HydrophobicContact CG-CG 4.47Å; Y393-E397 PolarHBondContact O-N 2.9Å; D394-E397 PolarHBondContact O-N 3.2Å; C395-E397 VanDerWaalsContact C-N 3.29Å; C395-E397 PolarHBondContact O-N 2.87Å; E397-Y399 VanDerWaalsContact C-N 3.33Å; E397-Y399 PolarHBondContact O-N 3.1Å; E397-I400 VanDerWaalsContact O-CG2 3.23Å; E397-I400 WeakPolarHBondContact O-CG2 3.45Å; E397-I400 PolarHBondContact O-N 3.33Å; E397-M401 HydrophobicContact CG-CG 4.2Å; E397-M401 VanDerWaalsContact O-CB 3.28Å; E397-M401 WeakPolarHBondContact O-CB 3.31Å; E397-M401 WeakPolarHBondContact O-CG 3.27Å; E397-M401 PolarHBondContact O-N 2.86Å
398	Y	93.3	Very high	93.2	Very high	21 Å²	21	20.1 Å²	20.1	8%	0.082	10%	0.096	C	C	.	.	H	α-helix	trans	-56.9	-46.7	175.5	166.9	-106.4	0	0	0	112.1	C65 E66 F69 Y108 D394 C395 I400 M401 N402	C65-Y398 HydrophobicContact CB-CD1 3.36Å; C65-Y398 HydrophobicContact CB-CE1 3.91Å; C65-Y398 HydrophobicContact CB-CG 4.08Å; E66-Y398 HydrophobicContact CG-CE1 4.12Å; E66-Y398 WeakPolarHBondContact OE1-CE1 3.37Å; E66-Y398 PolarHBondContact OE1-OH 2.83Å; F69-Y398 AromaticContact CE2-CD1 3.8Å; F69-Y398 HydrophobicContact CE2-CD1 3.8Å; F69-Y398 HydrophobicContact CE2-CE1 4.03Å; F69-Y398 HydrophobicContact CZ-CD1 4.25Å; Y108-Y398 HydrophobicContact CE2-CD2 4.12Å; Y108-Y398 HydrophobicContact CE2-CE2 4.44Å; Y108-Y398 AromaticContact CZ-CD2 3.97Å; Y108-Y398 VanDerWaalsContact OH-CD2 3.25Å; Y108-Y398 WeakPolarHBondContact OH-CD2 3.38Å; D394-Y398 WeakPolarHBondContact O-CB 3.17Å; D394-Y398 PolarHBondContact O-N 3.27Å; C395-Y398 WeakPolarHBondContact O-CB 3.34Å; C395-Y398 PolarHBondContact O-N 2.97Å; Y398-I400 PolarHBondContact O-N 3.16Å; Y398-M401 PolarHBondContact O-N 3.14Å; Y398-N402 HydrophobicContact CE2-CB 4.41Å; Y398-N402 VanDerWaalsContact O-CB 3.3Å; Y398-N402 WeakPolarHBondContact O-CB 3.31Å; Y398-N402 PolarHBondContact O-N 2.92Å
399	Y	95.4	Very high	93.3	Very high	28 Å²	28	24.3 Å²	24.3	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-54.6	-55.6	-179.8	170.1	-108.4	0	0	0	111	F69 I373 P374 C395 T396 E397 M401 N402 K403	F69-Y399 HydrophobicContact CZ-CG 4.44Å; I373-Y399 HydrophobicContact CG2-CD1 3.72Å; I373-Y399 HydrophobicContact CG2-CE1 4.11Å; I373-Y399 HydrophobicContact CG2-CG 4.13Å; P374-Y399 WeakPolarHBondContact CA-OH 3.14Å; P374-Y399 HydrophobicContact CB-CE2 3.81Å; P374-Y399 HydrophobicContact CG-CD2 4.25Å; P374-Y399 HydrophobicContact CG-CE2 3.98Å; P374-Y399 PolarHBondContact O-OH 2.86Å; C395-Y399 WeakPolarHBondContact O-CB 2.96Å; C395-Y399 PolarHBondContact O-N 2.94Å; T396-Y399 PolarHBondContact O-N 2.91Å; E397-Y399 VanDerWaalsContact C-N 3.33Å; E397-Y399 PolarHBondContact O-N 3.1Å; Y399-M401 VanDerWaalsContact C-N 3.33Å; Y399-M401 PolarHBondContact O-N 2.91Å; Y399-N402 PolarHBondContact O-N 3.21Å; Y399-K403 HydrophobicContact CE1-CD 3.88Å; Y399-K403 HydrophobicContact CE2-CD 4.03Å; Y399-K403 WeakPolarHBondContact O-CG 3.27Å; Y399-K403 PolarHBondContact O-N 3.47Å
400	I	95.7	Very high	93.4	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-176.3	-174.3	62.4	0	0	0	112	L142 P226 T229 T396 E397 Y398 K403 V404	L142-I400 HydrophobicContact CD2-CG2 3.2Å; P226-I400 HydrophobicContact CG-CG1 4.33Å; T229-I400 HydrophobicContact CG2-CD1 3.62Å; T229-I400 VanDerWaalsContact N-CD1 3.35Å; T396-I400 WeakPolarHBondContact O-CG2 3.29Å; T396-I400 PolarHBondContact O-N 3.14Å; E397-I400 VanDerWaalsContact O-CG2 3.23Å; E397-I400 WeakPolarHBondContact O-CG2 3.45Å; E397-I400 PolarHBondContact O-N 3.33Å; Y398-I400 PolarHBondContact O-N 3.16Å; I400-K403 WeakPolarHBondContact O-CB 3.45Å; I400-K403 PolarHBondContact O-N 2.88Å; I400-V404 WeakPolarHBondContact O-CG2 3.43Å; I400-V404 PolarHBondContact O-N 3.09Å; I400-V404 VanDerWaalsContact O-N 3.1Å
401	M	93.1	Very high	93.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-40.2	177.5	-73.3	-62.8	165.3	0	0	113	F107 L142 E397 Y398 Y399 K403 V404 I405	F107-M401 HydrophobicContact CB-SD 4.3Å; F107-M401 HydrophobicContact CD1-CE 3.76Å; F107-M401 HydrophobicContact CD1-CG 4.22Å; F107-M401 HydrophobicContact CD1-SD 3.22Å; F107-M401 WeakPolarHBondContact CD1-SD 3.3Å; F107-M401 HydrophobicContact CD2-CE 4.32Å; F107-M401 HydrophobicContact CD2-SD 3.3Å; F107-M401 WeakPolarHBondContact CD2-SD 3.42Å; F107-M401 HydrophobicContact CE1-CE 3.07Å; F107-M401 HydrophobicContact CE1-CG 4.45Å; F107-M401 HydrophobicContact CE1-SD 3.17Å; F107-M401 WeakPolarHBondContact CE1-SD 3.25Å; F107-M401 HydrophobicContact CE2-CE 3.67Å; F107-M401 HydrophobicContact CE2-SD 3.18Å; F107-M401 WeakPolarHBondContact CE2-SD 3.43Å; F107-M401 HydrophobicContact CG-CE 4.37Å; F107-M401 HydrophobicContact CG-CG 4.45Å; F107-M401 HydrophobicContact CG-SD 3.34Å; F107-M401 WeakPolarHBondContact CG-SD 3.36Å; F107-M401 HydrophobicContact CZ-CE 3.1Å; F107-M401 HydrophobicContact CZ-SD 3.23Å; F107-M401 WeakPolarHBondContact CZ-SD 3.21Å; L142-M401 VanDerWaalsContact CA-CE 3.49Å; L142-M401 HydrophobicContact CB-CE 4.06Å; L142-M401 HydrophobicContact CD2-CE 3.14Å; L142-M401 HydrophobicContact CD2-CG 4.08Å; L142-M401 HydrophobicContact CD2-SD 4.35Å; L142-M401 HydrophobicContact CG-CE 3.67Å; E397-M401 HydrophobicContact CG-CG 4.2Å; E397-M401 VanDerWaalsContact O-CB 3.28Å; E397-M401 WeakPolarHBondContact O-CB 3.31Å; E397-M401 WeakPolarHBondContact O-CG 3.27Å; E397-M401 PolarHBondContact O-N 2.86Å; Y398-M401 PolarHBondContact O-N 3.14Å; Y399-M401 VanDerWaalsContact C-N 3.33Å; Y399-M401 PolarHBondContact O-N 2.91Å; M401-K403 PolarHBondContact O-N 3.15Å; M401-V404 PolarHBondContact O-N 2.95Å; M401-I405 WeakPolarHBondContact O-CG1 3.45Å; M401-I405 PolarHBondContact O-N 2.89Å
402	N	93.2	Very high	94	Very high	35 Å²	35	38.1 Å²	38.1	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-37.2	174.9	-169.5	37.1	0	0	0	111.1	Y398 Y399 K406	Y398-N402 HydrophobicContact CE2-CB 4.41Å; Y398-N402 VanDerWaalsContact O-CB 3.3Å; Y398-N402 WeakPolarHBondContact O-CB 3.31Å; Y398-N402 PolarHBondContact O-N 2.92Å; Y399-N402 PolarHBondContact O-N 3.21Å; N402-K406 PolarHBondContact ND2-NZ 2.75Å; N402-K406 WeakPolarHBondContact O-CB 3.46Å; N402-K406 VanDerWaalsContact O-CG 3.28Å; N402-K406 WeakPolarHBondContact O-CG 3.43Å; N402-K406 PolarHBondContact O-N 3.22Å
403	K	95	Very high	94.1	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-48.7	174.3	-65.8	-177.7	70.2	-179.7	0	112.3	T229 E232 Y399 I400 M401 I405 K406 E407 D414	T229-K403 HydrophobicContact CG2-CB 3.7Å; E232-K403 VanDerWaalsContact OE1-CE 3.24Å; E232-K403 WeakPolarHBondContact OE1-CE 3.41Å; E232-K403 IonicContact OE1-NZ 2.57Å; E232-K403 PolarHBondContact OE1-NZ 3.42Å; E232-K403 IonicContact OE2-NZ 2.83Å; E232-K403 PolarHBondContact OE2-NZ 3.21Å; Y399-K403 HydrophobicContact CE1-CD 3.88Å; Y399-K403 HydrophobicContact CE2-CD 4.03Å; Y399-K403 WeakPolarHBondContact O-CG 3.27Å; Y399-K403 PolarHBondContact O-N 3.47Å; I400-K403 WeakPolarHBondContact O-CB 3.45Å; I400-K403 PolarHBondContact O-N 2.88Å; M401-K403 PolarHBondContact O-N 3.15Å; K403-I405 VanDerWaalsContact C-N 3.29Å; K403-I405 PolarHBondContact O-N 3.43Å; K403-K406 PolarHBondContact O-N 3.01Å; K403-K406 VanDerWaalsContact O-N 3.15Å; K403-E407 WeakPolarHBondContact O-CG 3.18Å; K403-E407 PolarHBondContact O-N 3.45Å; K403-D414 WeakPolarHBondContact CE-OD2 3.32Å
404	V	95.1	Very high	94.2	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-45.1	177.4	174.1	0	0	0	0	111.3	F107 V112 T229 I400 M401 E407 M408	F107-V404 HydrophobicContact CE2-CG1 4.47Å; V112-V404 HydrophobicContact CG1-CG1 4.37Å; V112-V404 HydrophobicContact CG2-CG1 4.39Å; T229-V404 HydrophobicContact CG2-CG2 3.64Å; I400-V404 WeakPolarHBondContact O-CG2 3.43Å; I400-V404 PolarHBondContact O-N 3.09Å; I400-V404 VanDerWaalsContact O-N 3.1Å; M401-V404 PolarHBondContact O-N 2.95Å; V404-E407 PolarHBondContact O-N 3.03Å; V404-M408 HydrophobicContact CG1-SD 4.09Å; V404-M408 WeakPolarHBondContact O-CB 3.16Å; V404-M408 VanDerWaalsContact O-CG 3.31Å; V404-M408 WeakPolarHBondContact O-CG 3.47Å; V404-M408 PolarHBondContact O-N 3.26Å
405	I	93.2	Very high	94.3	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.087	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-45.3	178.5	-69	169.6	0	0	0	110.9	F107 Y108 M401 K403 M408 Q409	F107-I405 HydrophobicContact CB-CD1 3.98Å; F107-I405 HydrophobicContact CB-CG1 4.41Å; Y108-I405 HydrophobicContact CD2-CD1 3.87Å; M401-I405 WeakPolarHBondContact O-CG1 3.45Å; M401-I405 PolarHBondContact O-N 2.89Å; K403-I405 VanDerWaalsContact C-N 3.29Å; K403-I405 PolarHBondContact O-N 3.43Å; I405-M408 WeakPolarHBondContact O-CB 3.48Å; I405-M408 PolarHBondContact O-N 3.12Å; I405-Q409 HydrophobicContact CG2-CG 4.36Å; I405-Q409 WeakPolarHBondContact O-CB 3.49Å; I405-Q409 VanDerWaalsContact O-CG 3.28Å; I405-Q409 WeakPolarHBondContact O-CG 3.44Å; I405-Q409 PolarHBondContact O-N 3.12Å
406	K	94	Very high	94.2	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-48.1	177.4	-75.2	172.6	-179.2	177.2	0	111.4	N402 K403 M408 Q409 T410	N402-K406 PolarHBondContact ND2-NZ 2.75Å; N402-K406 WeakPolarHBondContact O-CB 3.46Å; N402-K406 VanDerWaalsContact O-CG 3.28Å; N402-K406 WeakPolarHBondContact O-CG 3.43Å; N402-K406 PolarHBondContact O-N 3.22Å; K403-K406 PolarHBondContact O-N 3.01Å; K403-K406 VanDerWaalsContact O-N 3.15Å; K406-M408 VanDerWaalsContact C-N 3.27Å; K406-M408 PolarHBondContact O-N 2.8Å; K406-Q409 PolarHBondContact O-N 2.88Å; K406-Q409 VanDerWaalsContact O-N 3.11Å; K406-T410 WeakPolarHBondContact O-CB 3.41Å; K406-T410 WeakPolarHBondContact O-CG2 3.42Å; K406-T410 PolarHBondContact O-N 3.38Å; K406-T410 PolarHBondContact O-OG1 3.14Å
407	E	95.2	Very high	94.3	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-41.9	177.4	-72.8	172.1	173.6	0	0	112	T229 W231 K403 V404 K411 Q412	T229-E407 VanDerWaalsContact CB-OE2 3.26Å; T229-E407 WeakPolarHBondContact CB-OE2 3.31Å; T229-E407 WeakPolarHBondContact CG2-OE1 3.31Å; T229-E407 WeakPolarHBondContact CG2-OE2 3.46Å; T229-E407 VanDerWaalsContact OG1-CD 3.25Å; T229-E407 PolarHBondContact OG1-OE1 3.01Å; T229-E407 PolarHBondContact OG1-OE2 3.29Å; W231-E407 HydrophobicContact CE3-CB 3.97Å; W231-E407 HydrophobicContact CE3-CG 4.38Å; W231-E407 HydrophobicContact CZ3-CB 4.19Å; K403-E407 WeakPolarHBondContact O-CG 3.18Å; K403-E407 PolarHBondContact O-N 3.45Å; V404-E407 PolarHBondContact O-N 3.03Å; E407-K411 WeakPolarHBondContact O-CA 3.31Å; E407-K411 PolarHBondContact O-N 2.92Å; E407-Q412 WeakPolarHBondContact CA-O 3.47Å
408	M	92.8	Very high	94.4	Very high	45 Å²	45	56.4 Å²	56.4	22%	0.222	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-41.4	175.8	-77.1	174.3	54.8	0	0	113.1	S111 V112 N113 V404 I405 K406	S111-M408 WeakPolarHBondContact O-CE 3.35Å; V112-M408 HydrophobicContact CG1-SD 4.41Å; N113-M408 HydrophobicContact CB-CE 3.64Å; N113-M408 HydrophobicContact CB-CG 4.44Å; N113-M408 HydrophobicContact CB-SD 4.39Å; N113-M408 VanDerWaalsContact N-CE 3.31Å; N113-M408 PolarHBondContact N-SD 3.15Å; N113-M408 VanDerWaalsContact N-SD 3.42Å; V404-M408 HydrophobicContact CG1-SD 4.09Å; V404-M408 WeakPolarHBondContact O-CB 3.16Å; V404-M408 VanDerWaalsContact O-CG 3.31Å; V404-M408 WeakPolarHBondContact O-CG 3.47Å; V404-M408 PolarHBondContact O-N 3.26Å; I405-M408 WeakPolarHBondContact O-CB 3.48Å; I405-M408 PolarHBondContact O-N 3.12Å; K406-M408 VanDerWaalsContact C-N 3.27Å; K406-M408 PolarHBondContact O-N 2.8Å
409	Q	92.6	Very high	94.6	Very high	129 Å²	129	58 Å²	58	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-73.1	-43.9	-178	-73.2	173.1	-13.5	0	0	111.9	I405 K406	I405-Q409 HydrophobicContact CG2-CG 4.36Å; I405-Q409 WeakPolarHBondContact O-CB 3.49Å; I405-Q409 VanDerWaalsContact O-CG 3.28Å; I405-Q409 WeakPolarHBondContact O-CG 3.44Å; I405-Q409 PolarHBondContact O-N 3.12Å; K406-Q409 PolarHBondContact O-N 2.88Å; K406-Q409 VanDerWaalsContact O-N 3.11Å
410	T	94.6	Very high	94.6	Very high	77 Å²	77	59.5 Å²	59.5	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-85.2	-19.7	-177.8	64.3	0	0	0	0	112.8	K406 Q412	K406-T410 WeakPolarHBondContact O-CB 3.41Å; K406-T410 WeakPolarHBondContact O-CG2 3.42Å; K406-T410 PolarHBondContact O-N 3.38Å; K406-T410 PolarHBondContact O-OG1 3.14Å; T410-Q412 PolarHBondContact O-N 3.15Å; T410-Q412 PolarHBondContact OG1-N 3.17Å; T410-Q412 PolarHBondContact OG1-O 3.09Å
411	K	94.8	Very high	94.7	Very high	172 Å²	172	62.1 Å²	62.1	75%	0.748	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	34.5	-170.2	-56.2	179.8	179	177.3	0	112.4	E407	E407-K411 WeakPolarHBondContact O-CA 3.31Å; E407-K411 PolarHBondContact O-N 2.92Å
412	Q	95.5	Very high	94.9	Very high	135 Å²	135	61.9 Å²	61.9	63%	0.631	32%	0.319	S	S	*	.	S	Bend	trans	-138.9	148.4	178.5	-65.6	178.8	0.2	0	0	109.2	E407 T410	E407-Q412 WeakPolarHBondContact CA-O 3.47Å; T410-Q412 PolarHBondContact O-N 3.15Å; T410-Q412 PolarHBondContact OG1-N 3.17Å; T410-Q412 PolarHBondContact OG1-O 3.09Å
413	L	96.2	Very high	95	Very high	43 Å²	43	62.4 Å²	62.4	23%	0.225	33%	0.325	C	S	.	.			trans	-56.4	154.5	168.4	-72.6	165.8	0	0	0	110.5	W231 E232 A235 F417 V419	W231-L413 HydrophobicContact CB-CD2 4.04Å; W231-L413 HydrophobicContact CD2-CD2 3.81Å; W231-L413 HydrophobicContact CD2-CG 4.27Å; W231-L413 HydrophobicContact CE3-CD2 4.5Å; W231-L413 HydrophobicContact CG-CD2 3.56Å; W231-L413 HydrophobicContact CG-CG 4.43Å; E232-L413 HydrophobicContact CG-CD2 3.93Å; A235-L413 HydrophobicContact CB-CD1 3.81Å; A235-L413 HydrophobicContact CB-CD2 4.44Å; L413-F417 HydrophobicContact CB-CD1 4.47Å; L413-F417 HydrophobicContact CD1-CD1 4.04Å; L413-F417 HydrophobicContact CD1-CE1 4.28Å; L413-F417 HydrophobicContact CD2-CD1 4.39Å; L413-V419 HydrophobicContact CD1-CG2 4.31Å
414	D	94.3	Very high	95	Very high	18 Å²	18	71.4 Å²	71.4	10%	0.096	36%	0.359	C	S	.	.			trans	-52.7	130.4	174.2	-170.4	-67.8	0	0	0	109.9	K403 N416 F417	K403-D414 WeakPolarHBondContact CE-OD2 3.32Å; D414-N416 PolarHBondContact O-N 2.83Å; D414-N416 WeakPolarHBondContact OD1-CB 3.15Å; D414-N416 PolarHBondContact OD1-N 3.11Å; D414-N416 PolarHBondContact OD1-ND2 2.72Å; D414-N416 VanDerWaalsContact OD1-ND2 3.09Å; D414-F417 HydrophobicContact CB-CB 4.41Å; D414-F417 WeakPolarHBondContact O-CB 3.44Å; D414-F417 PolarHBondContact O-N 3.17Å
415	P	93.2	Very high	94.9	Very high	123 Å²	123	72.1 Å²	72.1	80%	0.799	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.6	-176.3	24.4	-34.9	0	0	0	113.8	F417	P415-F417 VanDerWaalsContact C-N 3.32Å
416	N	92.1	Very high	94.9	Very high	136 Å²	136	72.8 Å²	72.8	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.4	174.8	-53.8	-65.6	0	0	0	113	D414 D418	D414-N416 PolarHBondContact O-N 2.83Å; D414-N416 WeakPolarHBondContact OD1-CB 3.15Å; D414-N416 PolarHBondContact OD1-N 3.11Å; D414-N416 PolarHBondContact OD1-ND2 2.72Å; D414-N416 VanDerWaalsContact OD1-ND2 3.09Å; N416-D418 PolarHBondContact O-N 3.38Å
417	F	96.4	Very high	94.9	Very high	16 Å²	16	69.3 Å²	69.3	7%	0.07	35%	0.352	C	S	.	.			trans	-82.1	100.8	177.5	-175.3	-112.3	0	0	0	111.4	E232 A235 A236 L413 D414 P415 V419 Y422	E232-F417 HydrophobicContact CB-CD2 4Å; E232-F417 HydrophobicContact CB-CE1 4.24Å; E232-F417 HydrophobicContact CB-CE2 3.66Å; E232-F417 HydrophobicContact CB-CG 4.45Å; E232-F417 HydrophobicContact CB-CZ 3.79Å; E232-F417 HydrophobicContact CG-CB 4.4Å; E232-F417 HydrophobicContact CG-CD1 4.07Å; E232-F417 HydrophobicContact CG-CD2 3.67Å; E232-F417 HydrophobicContact CG-CE1 4.22Å; E232-F417 HydrophobicContact CG-CE2 3.88Å; E232-F417 HydrophobicContact CG-CG 3.78Å; E232-F417 HydrophobicContact CG-CZ 4.15Å; E232-F417 VanDerWaalsContact O-CZ 3.22Å; E232-F417 WeakPolarHBondContact O-CZ 3.36Å; E232-F417 WeakPolarHBondContact OE1-CB 3.44Å; E232-F417 VanDerWaalsContact OE1-CD2 3.22Å; E232-F417 WeakPolarHBondContact OE1-CD2 3.3Å; E232-F417 WeakPolarHBondContact OE1-CG 3.46Å; A235-F417 HydrophobicContact CB-CE1 3.76Å; A235-F417 HydrophobicContact CB-CZ 4.39Å; A236-F417 HydrophobicContact CB-CZ 4.11Å; L413-F417 HydrophobicContact CB-CD1 4.47Å; L413-F417 HydrophobicContact CD1-CD1 4.04Å; L413-F417 HydrophobicContact CD1-CE1 4.28Å; L413-F417 HydrophobicContact CD2-CD1 4.39Å; D414-F417 HydrophobicContact CB-CB 4.41Å; D414-F417 WeakPolarHBondContact O-CB 3.44Å; D414-F417 PolarHBondContact O-N 3.17Å; P415-F417 VanDerWaalsContact C-N 3.32Å; F417-V419 HydrophobicContact CD1-CG2 3.63Å; F417-V419 HydrophobicContact CE1-CB 4.48Å; F417-V419 HydrophobicContact CE1-CG2 3.48Å; F417-V419 VanDerWaalsContact CE1-CG2 3.48Å; F417-V419 PolarHBondContact O-N 3.42Å; F417-V419 VanDerWaalsContact O-N 3.16Å; F417-Y422 HydrophobicContact CD2-CE2 4.32Å; F417-Y422 HydrophobicContact CE2-CD2 4.4Å; F417-Y422 AromaticContact CE2-CE2 3.4Å; F417-Y422 HydrophobicContact CE2-CE2 3.4Å; F417-Y422 VanDerWaalsContact CE2-CE2 3.4Å; F417-Y422 AromaticContact CE2-CZ 3.88Å; F417-Y422 HydrophobicContact CZ-CD2 4.13Å; F417-Y422 AromaticContact CZ-CE2 3.53Å; F417-Y422 HydrophobicContact CZ-CE2 3.53Å
418	D	96.2	Very high	94.8	Very high	72 Å²	72	69.2 Å²	69.2	39%	0.385	35%	0.352	S	S	.	.			trans	-80.7	93.7	175.7	-176.9	6.6	0	0	0	111.6	M377 N416 T420 F421 Y422	M377-D418 HydrophobicContact CE-CB 4.02Å; N416-D418 PolarHBondContact O-N 3.38Å; D418-T420 PolarHBondContact O-N 3.31Å; D418-T420 WeakPolarHBondContact OD1-CA 3.34Å; D418-T420 WeakPolarHBondContact OD1-CB 3.39Å; D418-T420 PolarHBondContact OD1-N 2.97Å; D418-F421 HydrophobicContact CB-CB 4.27Å; D418-F421 WeakPolarHBondContact O-CB 3.38Å; D418-F421 PolarHBondContact O-N 3.44Å; D418-F421 PolarHBondContact OD1-N 3.45Å; D418-Y422 WeakPolarHBondContact O-CD2 3.37Å; D418-Y422 WeakPolarHBondContact O-CE2 3.42Å
419	V	97.2	Very high	94.9	Very high	54 Å²	54	71.4 Å²	71.4	33%	0.327	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-34.5	171.9	179.1	0	0	0	0	111.5	A239 L413 F417 F421 Y422 S423	A239-V419 HydrophobicContact CB-CG1 3.75Å; L413-V419 HydrophobicContact CD1-CG2 4.31Å; F417-V419 HydrophobicContact CD1-CG2 3.63Å; F417-V419 HydrophobicContact CE1-CB 4.48Å; F417-V419 HydrophobicContact CE1-CG2 3.48Å; F417-V419 VanDerWaalsContact CE1-CG2 3.48Å; F417-V419 PolarHBondContact O-N 3.42Å; F417-V419 VanDerWaalsContact O-N 3.16Å; V419-F421 VanDerWaalsContact C-N 3.29Å; V419-F421 PolarHBondContact O-N 3.16Å; V419-Y422 PolarHBondContact O-N 3.26Å; V419-Y422 VanDerWaalsContact O-N 3.15Å; V419-S423 PolarHBondContact O-N 2.97Å
420	T	97	Very high	94.9	Very high	60 Å²	60	68.2 Å²	68.2	37%	0.368	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-34.8	-173.9	-53.2	0	0	0	0	111.1	D418 Y422 S423 R424	D418-T420 PolarHBondContact O-N 3.31Å; D418-T420 WeakPolarHBondContact OD1-CA 3.34Å; D418-T420 WeakPolarHBondContact OD1-CB 3.39Å; D418-T420 PolarHBondContact OD1-N 2.97Å; T420-Y422 VanDerWaalsContact C-N 3.26Å; T420-Y422 PolarHBondContact O-N 3.3Å; T420-S423 WeakPolarHBondContact CA-OG 3.48Å; T420-S423 PolarHBondContact O-N 2.96Å; T420-S423 PolarHBondContact O-OG 2.69Å; T420-R424 HydrophobicContact CG2-CG 4.23Å; T420-R424 VanDerWaalsContact CG2-CZ 3.41Å; T420-R424 WeakPolarHBondContact O-CG 3.02Å; T420-R424 PolarHBondContact O-N 2.86Å; T420-R424 VanDerWaalsContact O-N 3.15Å
421	F	96.6	Very high	95	Very high	57 Å²	57	66.5 Å²	66.5	25%	0.25	35%	0.346	C	S	.	.	H	α-helix	trans	-49.6	-47	172.2	170.4	-98.7	0	0	0	112.3	P340 I342 M377 D418 V419 R424 L425	P340-F421 HydrophobicContact CB-CZ 4.42Å; P340-F421 HydrophobicContact CG-CE2 4.14Å; P340-F421 HydrophobicContact CG-CZ 3.83Å; I342-F421 HydrophobicContact CG2-CE1 3.63Å; I342-F421 HydrophobicContact CG2-CZ 4Å; M377-F421 HydrophobicContact CB-CD1 4.12Å; M377-F421 HydrophobicContact CB-CE1 3.63Å; M377-F421 HydrophobicContact CB-CZ 3.98Å; M377-F421 HydrophobicContact CE-CB 3.7Å; M377-F421 HydrophobicContact CE-CD1 3.51Å; M377-F421 HydrophobicContact CE-CD2 4.47Å; M377-F421 HydrophobicContact CE-CE1 4.25Å; M377-F421 HydrophobicContact CE-CG 3.64Å; M377-F421 HydrophobicContact CG-CD1 4.37Å; M377-F421 HydrophobicContact CG-CE1 4.22Å; M377-F421 HydrophobicContact CG-CZ 4.37Å; D418-F421 HydrophobicContact CB-CB 4.27Å; D418-F421 WeakPolarHBondContact O-CB 3.38Å; D418-F421 PolarHBondContact O-N 3.44Å; D418-F421 PolarHBondContact OD1-N 3.45Å; V419-F421 VanDerWaalsContact C-N 3.29Å; V419-F421 PolarHBondContact O-N 3.16Å; F421-R424 PolarHBondContact O-N 3.5Å; F421-L425 HydrophobicContact CZ-CD2 4.45Å
422	Y	97.3	Very high	95	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-40.4	-178.8	-59.1	-80.5	0	0	0	112	R228 A236 I342 M377 F379 F417 D418 V419 T420 R424 L425 S428	R228-Y422 PolarHBondContact NE-OH 3.42Å; A236-Y422 HydrophobicContact CB-CD1 3.73Å; A236-Y422 HydrophobicContact CB-CD2 3.84Å; A236-Y422 HydrophobicContact CB-CE1 3.89Å; A236-Y422 HydrophobicContact CB-CE2 3.99Å; A236-Y422 HydrophobicContact CB-CG 3.7Å; I342-Y422 HydrophobicContact CB-CE1 4.49Å; I342-Y422 HydrophobicContact CD1-CD1 3.62Å; I342-Y422 HydrophobicContact CD1-CE1 3.96Å; M377-Y422 HydrophobicContact CE-CE2 4.13Å; M377-Y422 PolarHBondContact O-OH 3.31Å; F379-Y422 HydrophobicContact CD1-CE1 4.4Å; F379-Y422 HydrophobicContact CE1-CD1 4.21Å; F379-Y422 AromaticContact CE1-CE1 3.7Å; F379-Y422 HydrophobicContact CE1-CE1 3.7Å; F417-Y422 HydrophobicContact CD2-CE2 4.32Å; F417-Y422 HydrophobicContact CE2-CD2 4.4Å; F417-Y422 AromaticContact CE2-CE2 3.4Å; F417-Y422 HydrophobicContact CE2-CE2 3.4Å; F417-Y422 VanDerWaalsContact CE2-CE2 3.4Å; F417-Y422 AromaticContact CE2-CZ 3.88Å; F417-Y422 HydrophobicContact CZ-CD2 4.13Å; F417-Y422 AromaticContact CZ-CE2 3.53Å; F417-Y422 HydrophobicContact CZ-CE2 3.53Å; D418-Y422 WeakPolarHBondContact O-CD2 3.37Å; D418-Y422 WeakPolarHBondContact O-CE2 3.42Å; V419-Y422 PolarHBondContact O-N 3.26Å; V419-Y422 VanDerWaalsContact O-N 3.15Å; T420-Y422 VanDerWaalsContact C-N 3.26Å; T420-Y422 PolarHBondContact O-N 3.3Å; Y422-R424 PolarHBondContact O-N 3.47Å; Y422-L425 WeakPolarHBondContact O-CG 3.27Å; Y422-L425 PolarHBondContact O-N 3.08Å; Y422-S428 PolarHBondContact O-OG 3.26Å; Y422-S428 VanDerWaalsContact O-OG 3.13Å
423	S	96.4	Very high	95	Very high	46 Å²	46	59.7 Å²	59.7	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-23.6	179	70.3	0	0	0	0	114.3	A239 V419 T420	A239-S423 VanDerWaalsContact O-CA 3.31Å; A239-S423 WeakPolarHBondContact O-CA 3.05Å; V419-S423 PolarHBondContact O-N 2.97Å; T420-S423 WeakPolarHBondContact CA-OG 3.48Å; T420-S423 PolarHBondContact O-N 2.96Å; T420-S423 PolarHBondContact O-OG 2.69Å
424	R	94.6	Very high	95	Very high	195 Å²	195	60.6 Å²	60.6	74%	0.736	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.5	-178	-71.8	179.3	179.2	161.4	3.7	113.8	T420 F421 Y422	T420-R424 HydrophobicContact CG2-CG 4.23Å; T420-R424 VanDerWaalsContact CG2-CZ 3.41Å; T420-R424 WeakPolarHBondContact O-CG 3.02Å; T420-R424 PolarHBondContact O-N 2.86Å; T420-R424 VanDerWaalsContact O-N 3.15Å; F421-R424 PolarHBondContact O-N 3.5Å; Y422-R424 PolarHBondContact O-N 3.47Å
425	L	93.2	Very high	95	Very high	20 Å²	20	62.9 Å²	62.9	11%	0.105	34%	0.339	C	S	.	.	S	Bend	trans	-64.8	142.9	175.6	-60.6	170.5	0	0	0	109.6	I240 P340 I342 F421 Y422 C427 S428	I240-L425 HydrophobicContact CG2-CD1 4.37Å; P340-L425 HydrophobicContact CG-CD2 3.73Å; I342-L425 HydrophobicContact CD1-CD1 3.65Å; I342-L425 HydrophobicContact CG1-CD1 4.25Å; I342-L425 HydrophobicContact CG2-CD1 3.97Å; I342-L425 HydrophobicContact CG2-CD2 4.34Å; F421-L425 HydrophobicContact CZ-CD2 4.45Å; Y422-L425 WeakPolarHBondContact O-CG 3.27Å; Y422-L425 PolarHBondContact O-N 3.08Å; L425-C427 VanDerWaalsContact C-N 3.31Å; L425-C427 PolarHBondContact O-N 3.24Å; L425-S428 VanDerWaalsContact O-CB 3.26Å; L425-S428 WeakPolarHBondContact O-CB 3.32Å; L425-S428 PolarHBondContact O-N 3.11Å
426	H	92.3	Very high	95.1	Very high	31 Å²	31	59.4 Å²	59.4	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-51.5	-49.6	-173.6	173.2	71.5	0	0	0	112.6	I330 N336 S428 S429 N430	I330-H426 PolarHBondContact O-NE2 3.22Å; N336-H426 PolarHBondContact ND2-CE1 3.48Å; N336-H426 PolarHBondContact ND2-ND1 3.19Å; H426-S428 PolarHBondContact O-N 3.35Å; H426-S429 PolarHBondContact O-N 2.83Å; H426-N430 PolarHBondContact CE1-ND2 3.43Å; H426-N430 WeakPolarHBondContact O-CB 3.49Å; H426-N430 PolarHBondContact O-N 3.17Å; H426-N430 VanDerWaalsContact O-N 3.09Å; H426-N430 PolarHBondContact O-ND2 3.49Å
427	C	93.6	Very high	95.3	Very high	21 Å²	21	54.6 Å²	54.6	14%	0.142	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-17.4	-177.7	-54.6	0	0	0	0	113	S243 C329 L425 S429 N430 H431	S243-C427 WeakPolarHBondContact CB-O 3.17Å; C329-C427 HydrophobicContact CB-CB 3.72Å; C329-C427 WeakPolarHBondContact CB-SG 3.38Å; C329-C427 WeakPolarHBondContact SG-CB 3.33Å; C329-C427 CovalentContact SG-SG 2.03Å; C329-C427 PolarHBondContact SG-SG 3.21Å; L425-C427 VanDerWaalsContact C-N 3.31Å; L425-C427 PolarHBondContact O-N 3.24Å; C427-S429 VanDerWaalsContact C-N 3.27Å; C427-S429 PolarHBondContact O-N 3.45Å; C427-N430 PolarHBondContact O-N 3.38Å; C427-H431 WeakPolarHBondContact O-CB 3.35Å; C427-H431 PolarHBondContact O-ND1 2.79Å
428	S	94.8	Very high	95.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-27.2	177.7	-58	0	0	0	0	112.7	I240 Y422 L425 H426 H431	I240-S428 WeakPolarHBondContact CA-OG 3.27Å; I240-S428 WeakPolarHBondContact CB-OG 3.45Å; I240-S428 WeakPolarHBondContact CG2-OG 3.36Å; I240-S428 WeakPolarHBondContact O-CA 3.5Å; Y422-S428 PolarHBondContact O-OG 3.26Å; Y422-S428 VanDerWaalsContact O-OG 3.13Å; L425-S428 VanDerWaalsContact O-CB 3.26Å; L425-S428 WeakPolarHBondContact O-CB 3.32Å; L425-S428 PolarHBondContact O-N 3.11Å; H426-S428 PolarHBondContact O-N 3.35Å; S428-H431 PolarHBondContact O-CE1 2.96Å; S428-H431 VanDerWaalsContact O-CE1 3.24Å; S428-H431 PolarHBondContact O-ND1 2.66Å
429	S	93.8	Very high	95.1	Very high	92 Å²	92	56.1 Å²	56.1	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-106.9	-15.9	173.4	-49.8	0	0	0	0	113.6	H426 C427	H426-S429 PolarHBondContact O-N 2.83Å; C427-S429 VanDerWaalsContact C-N 3.27Å; C427-S429 PolarHBondContact O-N 3.45Å
430	N	93.9	Very high	95	Very high	62 Å²	62	56.3 Å²	56.3	33%	0.332	29%	0.291	S	S	.	.	S	Bend	trans	-124.5	77.6	-174.9	-58.5	-84.6	0	0	0	110.5	I330 H426 C427	I330-N430 HydrophobicContact CB-CB 4.43Å; I330-N430 PolarHBondContact N-O 2.91Å; H426-N430 PolarHBondContact CE1-ND2 3.43Å; H426-N430 WeakPolarHBondContact O-CB 3.49Å; H426-N430 PolarHBondContact O-N 3.17Å; H426-N430 VanDerWaalsContact O-N 3.09Å; H426-N430 PolarHBondContact O-ND2 3.49Å; C427-N430 PolarHBondContact O-N 3.38Å
431	H	95.7	Very high	94.8	Very high	41 Å²	41	56 Å²	56	19%	0.19	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-142.7	165.4	176.9	59.9	-91	0	0	0	111.5	N241 A328 C427 S428	N241-H431 PolarHBondContact O-CE1 2.86Å; N241-H431 PolarHBondContact O-NE2 3.13Å; A328-H431 CarbonylContact O-C 3.53Å; A328-H431 WeakPolarHBondContact O-CA 3.34Å; A328-H431 VanDerWaalsContact O-CB 3.24Å; A328-H431 WeakPolarHBondContact O-CB 3.24Å; C427-H431 WeakPolarHBondContact O-CB 3.35Å; C427-H431 PolarHBondContact O-ND1 2.79Å; S428-H431 PolarHBondContact O-CE1 2.96Å; S428-H431 VanDerWaalsContact O-CE1 3.24Å; S428-H431 PolarHBondContact O-ND1 2.66Å
432	I	95.7	Very high	94.6	Very high	104 Å²	104	55.9 Å²	55.9	53%	0.533	29%	0.288	S	S	.	.			trans	-72.9	0	174	-59.9	-65.7	0	0	0	111.6	P321 G327 A328 I330	P321-I432 HydrophobicContact CB-CD1 3.97Å; P321-I432 HydrophobicContact CB-CG1 3.98Å; G327-I432 WeakPolarHBondContact CA-O 3.43Å; G327-I432 PolarHBondContact N-O 2.75Å; A328-I432 HydrophobicContact CB-CG1 4.27Å; A328-I432 PolarHBondContact O-N 3.22Å; I330-I432 HydrophobicContact CD1-CD1 3.99Å; I330-I432 HydrophobicContact CG1-CD1 4.03Å; I330-I432 HydrophobicContact CG1-CG1 4.28Å

Retrieved 432 of 432 residues in 148.5 ms (Link to these results)

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