A0A077ZGZ9_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZGZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 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	29.9	Very low	34.9	Very low	247 Å²	247	131.2 Å²	131.2	100%	1.217	82%	0.822	S	S	*	*				0	127.3	0	-82.4	171.7	151.3	0	0	107.7
2	A	34.9	Very low	34.6	Very low	107 Å²	107	133.3 Å²	133.3	88%	0.884	82%	0.821	S	S	*	*			trans	64.2	106.7	175	0	0	0	0	0	118.5
3	E	33.8	Very low	34.2	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	82%	0.824	S	S	*	*			trans	-69.3	154.6	164.8	-72.5	179.5	149.9	0	0	112	G5	E3-G5 PolarHBondContact O-N 3.32Å
4	P	39.4	Very low	33.8	Very low	131 Å²	131	145.3 Å²	145.3	85%	0.851	83%	0.829	S	S	*	*			trans	-76.1	123.1	-173.7	-8.4	25.8	0	0	0	112.9	S6	P4-S6 PolarHBondContact O-N 3.42Å
5	G	35.6	Very low	33.8	Very low	74 Å²	74	146.1 Å²	146.1	76%	0.763	83%	0.829	S	S	*	*			trans	-17.6	104.9	171	0	0	0	0	0	118.3	E3 I7	E3-G5 PolarHBondContact O-N 3.32Å; G5-I7 PolarHBondContact O-N 2.97Å
6	S	35	Very low	33.8	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	83%	0.833	S	S	*	*			trans	-72.7	113.1	148.9	175.1	0	0	0	0	108	P4 G8	P4-S6 PolarHBondContact O-N 3.42Å; S6-G8 PolarHBondContact O-N 3.32Å
7	I	38.3	Very low	34.3	Very low	151 Å²	151	149.8 Å²	149.8	77%	0.774	83%	0.829	S	S	*	*			trans	-63.4	101.1	169.5	-62.8	169.4	0	0	0	107.1	G5 C9	G5-I7 PolarHBondContact O-N 2.97Å; I7-C9 PolarHBondContact O-N 3.47Å
8	G	32.2	Very low	35.1	Very low	61 Å²	61	148.3 Å²	148.3	63%	0.629	83%	0.827	S	S	*	*			trans	-73.6	115.8	178.6	0	0	0	0	0	110.9	S6	S6-G8 PolarHBondContact O-N 3.32Å
9	C	40.4	Very low	36	Very low	99 Å²	99	150.2 Å²	150.2	67%	0.669	83%	0.826	S	S	*	*			trans	-71.9	126.8	172.5	-70.7	0	0	0	0	111	I7 C11	I7-C9 PolarHBondContact O-N 3.47Å; C9-C11 PolarHBondContact O-N 3.21Å
10	I	30.8	Very low	37	Very low	153 Å²	153	145.5 Å²	145.5	79%	0.785	80%	0.799	S	S	*	*			trans	-78.2	105.1	175.3	-61	172.5	0	0	0	108.8	I12	I10-I12 HydrophobicContact CG2-CG1 4.27Å; I10-I12 PolarHBondContact O-N 2.85Å
11	C	33.8	Very low	37.9	Very low	116 Å²	116	146.2 Å²	146.2	78%	0.784	80%	0.797	S	S	*	*			trans	-79	108.3	167	-91.9	0	0	0	0	109.7	C9 R13	C9-C11 PolarHBondContact O-N 3.21Å; C11-R13 PolarHBondContact O-N 2.94Å; C11-R13 VanDerWaalsContact O-N 3.09Å
12	I	30.8	Very low	39.7	Very low	156 Å²	156	139.4 Å²	139.4	80%	0.8	77%	0.769	S	S	*	*			trans	-76.4	96.7	176.4	-56.4	175	0	0	0	108.9	I10	I10-I12 HydrophobicContact CG2-CG1 4.27Å; I10-I12 PolarHBondContact O-N 2.85Å
13	R	30.1	Very low	41.6	Very low	228 Å²	228	139 Å²	139	86%	0.86	75%	0.751	S	S	*	*			trans	-89.4	128.3	162.3	-94.5	-174.9	173.9	-173.8	-1.9	109.4	C11 L15	C11-R13 PolarHBondContact O-N 2.94Å; C11-R13 VanDerWaalsContact O-N 3.09Å; R13-L15 PolarHBondContact O-N 3.34Å
14	K	27.7	Very low	43.5	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	73%	0.733	S	S	*	*			trans	-55.2	122.2	178.5	-72.2	178.8	174.8	-180	0	111
15	L	34	Very low	45.3	Very low	158 Å²	158	133.2 Å²	133.2	83%	0.827	72%	0.716	S	S	*	*			trans	-124.6	130.5	165.5	-82.3	166.5	0	0	0	109.3	R13 I20	R13-L15 PolarHBondContact O-N 3.34Å; L15-I20 WeakPolarHBondContact O-CD1 3.39Å
16	Q	33.4	Very low	47.5	Very low	191 Å²	191	134.5 Å²	134.5	89%	0.893	71%	0.705	S	S	*	*			trans	-92	125.8	176.8	-67.3	169.7	-53.2	0	0	109.1
17	Q	42.4	Very low	49.7	Very low	163 Å²	163	133.3 Å²	133.3	76%	0.762	69%	0.689	S	S	*	*			trans	165.1	147.3	146.6	-93.9	179.6	8.6	0	0	112.2	K19 I20	Q17-K19 PolarHBondContact O-N 2.78Å; Q17-K19 VanDerWaalsContact O-N 3.08Å; Q17-I20 WeakPolarHBondContact O-CB 3.31Å; Q17-I20 WeakPolarHBondContact O-CD1 3.35Å; Q17-I20 WeakPolarHBondContact O-CG1 3.29Å
18	P	50.1	Low	51.8	Low	123 Å²	123	131.2 Å²	131.2	80%	0.799	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	10.5	-153.4	32.1	-35.8	0	0	0	117.6	I20	P18-I20 PolarHBondContact O-N 3.33Å
19	K	51.4	Low	54.1	Low	185 Å²	185	132.5 Å²	132.5	80%	0.804	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	16.6	167.6	-70.8	-172.5	177	-179.2	0	113.2	Q17	Q17-K19 PolarHBondContact O-N 2.78Å; Q17-K19 VanDerWaalsContact O-N 3.08Å
20	I	56.1	Low	56	Low	56 Å²	56	132 Å²	132	29%	0.287	66%	0.66	S	S	.	*	H	α-helix	trans	-81.1	-27.4	-168	-89.5	174.4	0	0	0	113.2	L15 Q17 P18 T22 I23 F24	L15-I20 WeakPolarHBondContact O-CD1 3.39Å; Q17-I20 WeakPolarHBondContact O-CB 3.31Å; Q17-I20 WeakPolarHBondContact O-CD1 3.35Å; Q17-I20 WeakPolarHBondContact O-CG1 3.29Å; P18-I20 PolarHBondContact O-N 3.33Å; I20-T22 PolarHBondContact O-N 3.03Å; I20-I23 PolarHBondContact O-N 3.18Å; I20-F24 HydrophobicContact CB-CD2 4.35Å; I20-F24 HydrophobicContact CG2-CD2 3.27Å; I20-F24 HydrophobicContact CG2-CE2 3.42Å; I20-F24 VanDerWaalsContact CG2-CE2 3.42Å; I20-F24 HydrophobicContact CG2-CG 4.19Å; I20-F24 HydrophobicContact CG2-CZ 4.45Å; I20-F24 WeakPolarHBondContact O-CB 3.34Å; I20-F24 WeakPolarHBondContact O-CD2 3.31Å; I20-F24 PolarHBondContact O-N 2.81Å
21	Q	56	Low	58.1	Low	160 Å²	160	127.7 Å²	127.7	75%	0.748	64%	0.644	S	S	*	*	H	α-helix	trans	-64.7	-45.2	-172.6	-76	-177.8	-20.2	0	0	113.2	I23 F24 V25	Q21-I23 VanDerWaalsContact C-N 3.35Å; Q21-I23 PolarHBondContact O-N 3.17Å; Q21-F24 PolarHBondContact O-N 3.12Å; Q21-V25 WeakPolarHBondContact O-CG2 3.37Å; Q21-V25 PolarHBondContact O-N 3.33Å
22	T	68.4	Low	60	Low	104 Å²	104	124.4 Å²	124.4	64%	0.638	63%	0.625	S	S	*	*	H	α-helix	trans	-67.1	-38.3	178.2	-11.7	0	0	0	0	111.7	I20 V25 L26	I20-T22 PolarHBondContact O-N 3.03Å; T22-V25 PolarHBondContact O-N 3.03Å; T22-L26 WeakPolarHBondContact O-CB 3.33Å; T22-L26 PolarHBondContact O-N 3.2Å
23	I	74.6	Confident	62	Low	98 Å²	98	120.7 Å²	120.7	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-66.9	-40.3	175.6	-63.3	174.9	0	0	0	110.4	I20 Q21 L26 L27	I20-I23 PolarHBondContact O-N 3.18Å; Q21-I23 VanDerWaalsContact C-N 3.35Å; Q21-I23 PolarHBondContact O-N 3.17Å; I23-L26 PolarHBondContact O-N 2.78Å; I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.21Å; I23-L27 VanDerWaalsContact O-CB 3.32Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 WeakPolarHBondContact O-CG 3.28Å; I23-L27 PolarHBondContact O-N 3.47Å
24	F	73.1	Confident	63.9	Low	114 Å²	114	114 Å²	114	50%	0.5	59%	0.59	S	S	.	*	H	α-helix	trans	-64.3	-43.2	175.9	-100.2	-107.5	0	0	0	111.9	I20 Q21 L27 L28	I20-F24 HydrophobicContact CB-CD2 4.35Å; I20-F24 HydrophobicContact CG2-CD2 3.27Å; I20-F24 HydrophobicContact CG2-CE2 3.42Å; I20-F24 VanDerWaalsContact CG2-CE2 3.42Å; I20-F24 HydrophobicContact CG2-CG 4.19Å; I20-F24 HydrophobicContact CG2-CZ 4.45Å; I20-F24 WeakPolarHBondContact O-CB 3.34Å; I20-F24 WeakPolarHBondContact O-CD2 3.31Å; I20-F24 PolarHBondContact O-N 2.81Å; Q21-F24 PolarHBondContact O-N 3.12Å; F24-L27 PolarHBondContact O-N 3.24Å; F24-L28 WeakPolarHBondContact O-CB 3.36Å; F24-L28 WeakPolarHBondContact O-CG 3.36Å; F24-L28 PolarHBondContact O-N 3.49Å
25	V	77.1	Confident	65.6	Low	83 Å²	83	111 Å²	111	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-43.9	176.4	174.3	0	0	0	0	110.6	Q21 T22 L28 I29	Q21-V25 WeakPolarHBondContact O-CG2 3.37Å; Q21-V25 PolarHBondContact O-N 3.33Å; T22-V25 PolarHBondContact O-N 3.03Å; V25-L28 PolarHBondContact O-N 3.18Å; V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 HydrophobicContact CG1-CG1 4.48Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.33Å; V25-I29 PolarHBondContact O-N 2.97Å
26	L	81.1	Confident	67.1	Low	101 Å²	101	109.5 Å²	109.5	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-61.5	-43.2	174	-96.1	148.4	0	0	0	112.4	T22 I23 L28 I29 I30	T22-L26 WeakPolarHBondContact O-CB 3.33Å; T22-L26 PolarHBondContact O-N 3.2Å; I23-L26 PolarHBondContact O-N 2.78Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-I29 PolarHBondContact O-N 2.89Å; L26-I30 WeakPolarHBondContact O-CB 3.42Å; L26-I30 WeakPolarHBondContact O-CD1 3.47Å; L26-I30 WeakPolarHBondContact O-CG1 3.34Å; L26-I30 PolarHBondContact O-N 3.18Å
27	L	82.9	Confident	68.5	Low	92 Å²	92	110.4 Å²	110.4	48%	0.482	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-37.6	175.7	-74.8	170.7	0	0	0	111.9	I23 F24 I30 S31	I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.21Å; I23-L27 VanDerWaalsContact O-CB 3.32Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 WeakPolarHBondContact O-CG 3.28Å; I23-L27 PolarHBondContact O-N 3.47Å; F24-L27 PolarHBondContact O-N 3.24Å; L27-I30 PolarHBondContact O-N 2.91Å; L27-S31 VanDerWaalsContact O-CB 3.25Å; L27-S31 WeakPolarHBondContact O-CB 3.44Å; L27-S31 PolarHBondContact O-N 3.19Å; L27-S31 PolarHBondContact O-OG 2.91Å
28	L	81.9	Confident	69.1	Low	107 Å²	107	104.5 Å²	104.5	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-66.1	-44.4	174.9	-74.8	170.7	0	0	0	110.8	F24 V25 L26 S31 A32	F24-L28 WeakPolarHBondContact O-CB 3.36Å; F24-L28 WeakPolarHBondContact O-CG 3.36Å; F24-L28 PolarHBondContact O-N 3.49Å; V25-L28 PolarHBondContact O-N 3.18Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-S31 WeakPolarHBondContact CA-OG 3.34Å; L28-S31 PolarHBondContact O-N 3.4Å; L28-S31 PolarHBondContact O-OG 3.39Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.98Å
29	I	80.5	Confident	69.2	Low	88 Å²	88	103 Å²	103	45%	0.451	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-45.6	175.2	-68	166.3	0	0	0	110.6	V25 L26 S31 A32 I33	V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 HydrophobicContact CG1-CG1 4.48Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.33Å; V25-I29 PolarHBondContact O-N 2.97Å; L26-I29 PolarHBondContact O-N 2.89Å; I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 3.31Å; I29-A32 PolarHBondContact O-N 3.42Å; I29-I33 HydrophobicContact CG2-CD1 3.67Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.34Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.39Å
30	I	80.9	Confident	69.1	Low	89 Å²	89	102.4 Å²	102.4	46%	0.456	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-43.6	176	-68.8	164.8	0	0	0	110.1	L26 L27 A32 I33 V34	L26-I30 WeakPolarHBondContact O-CB 3.42Å; L26-I30 WeakPolarHBondContact O-CD1 3.47Å; L26-I30 WeakPolarHBondContact O-CG1 3.34Å; L26-I30 PolarHBondContact O-N 3.18Å; L27-I30 PolarHBondContact O-N 2.91Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.9Å; I30-I33 PolarHBondContact O-N 3.37Å; I30-V34 HydrophobicContact CG2-CG2 4.26Å; I30-V34 WeakPolarHBondContact O-CB 3.34Å; I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.04Å
31	S	73.7	Confident	68.7	Low	63 Å²	63	102 Å²	102	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-38.5	176.9	75	0	0	0	0	112.1	L27 L28 I29 V34 Y35	L27-S31 VanDerWaalsContact O-CB 3.25Å; L27-S31 WeakPolarHBondContact O-CB 3.44Å; L27-S31 PolarHBondContact O-N 3.19Å; L27-S31 PolarHBondContact O-OG 2.91Å; L28-S31 WeakPolarHBondContact CA-OG 3.34Å; L28-S31 PolarHBondContact O-N 3.4Å; L28-S31 PolarHBondContact O-OG 3.39Å; I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 3.31Å; S31-V34 PolarHBondContact O-N 3.31Å; S31-Y35 WeakPolarHBondContact O-CB 3.31Å; S31-Y35 PolarHBondContact O-N 2.91Å
32	A	73.9	Confident	68.7	Low	46 Å²	46	96.3 Å²	96.3	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-68.2	-42	175.3	0	0	0	0	0	111.4	L28 I29 I30 Y35 I36	L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 2.98Å; I29-A32 PolarHBondContact O-N 3.42Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.9Å; A32-Y35 PolarHBondContact O-N 3.05Å; A32-I36 WeakPolarHBondContact O-CB 3.34Å; A32-I36 WeakPolarHBondContact O-CD1 3.47Å; A32-I36 WeakPolarHBondContact O-CG1 2.95Å; A32-I36 PolarHBondContact O-N 2.91Å
33	I	73.1	Confident	68	Low	79 Å²	79	97 Å²	97	41%	0.405	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-42.9	175.2	-68.9	167.7	0	0	0	110.6	I29 I30 Y35 I36 R37	I29-I33 HydrophobicContact CG2-CD1 3.67Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.34Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.39Å; I30-I33 PolarHBondContact O-N 3.37Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; I33-I36 PolarHBondContact O-N 3.34Å; I33-R37 HydrophobicContact CG2-CG 4.48Å; I33-R37 VanDerWaalsContact O-CB 3.24Å; I33-R37 WeakPolarHBondContact O-CB 3.21Å; I33-R37 WeakPolarHBondContact O-CG 3.41Å; I33-R37 PolarHBondContact O-N 3.25Å
34	V	69.8	Low	67.1	Low	86 Å²	86	100.1 Å²	100.1	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.3	170.7	0	0	0	0	110.6	I30 S31 R37 S38	I30-V34 HydrophobicContact CG2-CG2 4.26Å; I30-V34 WeakPolarHBondContact O-CB 3.34Å; I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.04Å; S31-V34 PolarHBondContact O-N 3.31Å; V34-R37 PolarHBondContact O-N 2.93Å; V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.38Å; V34-S38 PolarHBondContact O-OG 3.23Å
35	Y	62.4	Low	66.4	Low	146 Å²	146	97.3 Å²	97.3	57%	0.573	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-45.3	176.4	-174.9	-98.1	0	0	0	111.9	S31 A32 I33 R37 S38	S31-Y35 WeakPolarHBondContact O-CB 3.31Å; S31-Y35 PolarHBondContact O-N 2.91Å; A32-Y35 PolarHBondContact O-N 3.05Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-R37 VanDerWaalsContact C-N 3.35Å; Y35-R37 PolarHBondContact O-N 3.21Å; Y35-S38 PolarHBondContact O-N 3.45Å
36	I	65.7	Low	65.5	Low	125 Å²	125	96.9 Å²	96.9	64%	0.641	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-36.2	176.3	-66.7	163.4	0	0	0	111.1	A32 I33	A32-I36 WeakPolarHBondContact O-CB 3.34Å; A32-I36 WeakPolarHBondContact O-CD1 3.47Å; A32-I36 WeakPolarHBondContact O-CG1 2.95Å; A32-I36 PolarHBondContact O-N 2.91Å; I33-I36 PolarHBondContact O-N 3.34Å
37	R	63	Low	64.3	Low	211 Å²	211	95.3 Å²	95.3	80%	0.796	50%	0.5	S	S	*	.	H	α-helix	trans	-84.6	-4.2	179.8	-72.9	-171.9	171	-177.8	-1.2	114.8	I33 V34 Y35 P39	I33-R37 HydrophobicContact CG2-CG 4.48Å; I33-R37 VanDerWaalsContact O-CB 3.24Å; I33-R37 WeakPolarHBondContact O-CB 3.21Å; I33-R37 WeakPolarHBondContact O-CG 3.41Å; I33-R37 PolarHBondContact O-N 3.25Å; V34-R37 PolarHBondContact O-N 2.93Å; Y35-R37 VanDerWaalsContact C-N 3.35Å; Y35-R37 PolarHBondContact O-N 3.21Å; R37-P39 VanDerWaalsContact C-CD 3.5Å
38	S	54.7	Low	63.2	Low	39 Å²	39	92.5 Å²	92.5	27%	0.273	48%	0.483	S	S	.	.			trans	-124.9	64.1	176.3	61.2	0	0	0	0	113.3	V34 Y35 Q40 T42	V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.38Å; V34-S38 PolarHBondContact O-OG 3.23Å; Y35-S38 PolarHBondContact O-N 3.45Å; S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.63Å; S38-Q40 VanDerWaalsContact O-N 3.16Å; S38-T42 PolarHBondContact O-OG1 3.01Å
39	P	52.3	Low	62	Low	91 Å²	91	91.1 Å²	91.1	59%	0.591	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-9.8	-170.8	-13.9	29.9	0	0	0	115.2	R37	R37-P39 VanDerWaalsContact C-CD 3.5Å
40	Q	50.8	Low	60.8	Low	173 Å²	173	92.9 Å²	92.9	81%	0.808	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-20.3	-169.3	-71.5	-176.8	-18.5	0	0	115.4	S38	S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 2.63Å; S38-Q40 VanDerWaalsContact O-N 3.16Å
41	A	47.4	Very low	59.7	Low	46 Å²	46	91.7 Å²	91.7	38%	0.38	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-36.8	-179.5	0	0	0	0	0	112.3	D45	A41-D45 PolarHBondContact O-N 3.24Å
42	T	54.9	Low	58.7	Low	42 Å²	42	90 Å²	90	26%	0.258	47%	0.469	S	S	.	.	H	α-helix	trans	-74.9	-37.2	-168.8	38.5	0	0	0	0	114.9	S38 D45 I46	S38-T42 PolarHBondContact O-OG1 3.01Å; T42-D45 PolarHBondContact O-N 2.98Å; T42-I46 WeakPolarHBondContact O-CB 3.45Å; T42-I46 WeakPolarHBondContact O-CD1 3.45Å; T42-I46 WeakPolarHBondContact O-CG1 3.39Å; T42-I46 PolarHBondContact O-N 3.46Å
43	L	55.2	Low	57.9	Low	119 Å²	119	94.1 Å²	94.1	62%	0.623	48%	0.475	S	S	*	.	H	α-helix	trans	-70.8	-37.6	-177.6	-73	172.7	0	0	0	113.2	S47	L43-S47 WeakPolarHBondContact O-CB 3.27Å; L43-S47 PolarHBondContact O-N 3.35Å; L43-S47 PolarHBondContact O-OG 3.08Å
44	K	54.8	Low	57.1	Low	163 Å²	163	96.4 Å²	96.4	71%	0.709	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-41.5	173.2	-81	-169.5	174.9	-172	0	111.3	S47 Y48	K44-S47 WeakPolarHBondContact CA-OG 3.22Å; K44-S47 PolarHBondContact O-OG 3.18Å; K44-S47 VanDerWaalsContact O-OG 3.06Å; K44-Y48 VanDerWaalsContact O-CB 3.23Å; K44-Y48 WeakPolarHBondContact O-CB 3.1Å; K44-Y48 PolarHBondContact O-N 2.84Å
45	D	58.1	Low	56.9	Low	54 Å²	54	96.1 Å²	96.1	29%	0.289	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-43.4	178.9	-66.8	-10.4	0	0	0	111.5	A41 T42 I49 P117	A41-D45 PolarHBondContact O-N 3.24Å; T42-D45 PolarHBondContact O-N 2.98Å; D45-I49 WeakPolarHBondContact O-CD1 3.38Å; D45-I49 WeakPolarHBondContact O-CG1 3.48Å; D45-I49 PolarHBondContact O-N 2.98Å; D45-P117 WeakPolarHBondContact OD1-CG 3.39Å
46	I	57.5	Low	57.8	Low	75 Å²	75	93.6 Å²	93.6	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-66.2	-49.2	178.3	-69.2	166.9	0	0	0	111.3	T42 Y48 I49 F50	T42-I46 WeakPolarHBondContact O-CB 3.45Å; T42-I46 WeakPolarHBondContact O-CD1 3.45Å; T42-I46 WeakPolarHBondContact O-CG1 3.39Å; T42-I46 PolarHBondContact O-N 3.46Å; I46-Y48 VanDerWaalsContact C-N 3.32Å; I46-Y48 PolarHBondContact O-N 2.89Å; I46-I49 PolarHBondContact O-N 3.43Å; I46-I49 VanDerWaalsContact O-N 3.15Å; I46-F50 HydrophobicContact CG2-CD2 3.58Å; I46-F50 HydrophobicContact CG2-CE2 3.55Å; I46-F50 VanDerWaalsContact O-CD2 3.28Å; I46-F50 WeakPolarHBondContact O-CD2 3.38Å; I46-F50 PolarHBondContact O-N 2.94Å
47	S	57.2	Low	59	Low	68 Å²	68	88.7 Å²	88.7	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-61.1	-39.3	178.7	55.1	0	0	0	0	112.4	L43 K44 F50 A51	L43-S47 WeakPolarHBondContact O-CB 3.27Å; L43-S47 PolarHBondContact O-N 3.35Å; L43-S47 PolarHBondContact O-OG 3.08Å; K44-S47 WeakPolarHBondContact CA-OG 3.22Å; K44-S47 PolarHBondContact O-OG 3.18Å; K44-S47 VanDerWaalsContact O-OG 3.06Å; S47-F50 PolarHBondContact O-N 2.91Å; S47-A51 VanDerWaalsContact O-CB 3.28Å; S47-A51 WeakPolarHBondContact O-CB 3.29Å; S47-A51 PolarHBondContact O-N 2.61Å
48	Y	59.6	Low	60.6	Low	33 Å²	33	78.7 Å²	78.7	13%	0.129	42%	0.424	C	S	.	.	H	α-helix	trans	-61.6	-43.7	172.3	177.2	-91.5	0	0	0	112.4	K44 I46 N52 E94 L116 G118	K44-Y48 VanDerWaalsContact O-CB 3.23Å; K44-Y48 WeakPolarHBondContact O-CB 3.1Å; K44-Y48 PolarHBondContact O-N 2.84Å; I46-Y48 VanDerWaalsContact C-N 3.32Å; I46-Y48 PolarHBondContact O-N 2.89Å; Y48-N52 VanDerWaalsContact CE1-ND2 3.29Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.32Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.45Å; Y48-N52 WeakPolarHBondContact O-CB 3.47Å; Y48-N52 PolarHBondContact O-N 3.41Å; Y48-N52 VanDerWaalsContact O-N 3.12Å; Y48-N52 PolarHBondContact OH-ND2 3Å; Y48-E94 VanDerWaalsContact CE2-O 3.26Å; Y48-E94 WeakPolarHBondContact CE2-O 3.29Å; Y48-L116 HydrophobicContact CD2-CD1 4.09Å; Y48-L116 HydrophobicContact CE2-CB 4.38Å; Y48-L116 HydrophobicContact CE2-CD1 3.66Å; Y48-G118 PolarHBondContact OH-O 3.16Å
49	I	56.2	Low	62.6	Low	77 Å²	77	77.2 Å²	77.2	40%	0.395	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.7	-69.8	162.4	0	0	0	111.1	D45 I46 R53	D45-I49 WeakPolarHBondContact O-CD1 3.38Å; D45-I49 WeakPolarHBondContact O-CG1 3.48Å; D45-I49 PolarHBondContact O-N 2.98Å; I46-I49 PolarHBondContact O-N 3.43Å; I46-I49 VanDerWaalsContact O-N 3.15Å; I49-R53 PolarHBondContact O-N 2.85Å
50	F	56	Low	64.8	Low	126 Å²	126	72.9 Å²	72.9	55%	0.553	39%	0.385	S	S	*	.	H	α-helix	trans	-71.9	-45	179.9	-81.1	-73.7	0	0	0	113.1	I46 S47 N52 R53	I46-F50 HydrophobicContact CG2-CD2 3.58Å; I46-F50 HydrophobicContact CG2-CE2 3.55Å; I46-F50 VanDerWaalsContact O-CD2 3.28Å; I46-F50 WeakPolarHBondContact O-CD2 3.38Å; I46-F50 PolarHBondContact O-N 2.94Å; S47-F50 PolarHBondContact O-N 2.91Å; F50-N52 PolarHBondContact O-N 3.21Å; F50-R53 PolarHBondContact O-N 3.23Å
51	A	57.3	Low	67.1	Low	64 Å²	64	64.7 Å²	64.7	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-35.2	178.7	0	0	0	0	0	112.1	S47 T54	S47-A51 VanDerWaalsContact O-CB 3.28Å; S47-A51 WeakPolarHBondContact O-CB 3.29Å; S47-A51 PolarHBondContact O-N 2.61Å; A51-T54 PolarHBondContact O-OG1 3.28Å
52	N	52.6	Low	69.5	Low	27 Å²	27	62.5 Å²	62.5	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-70.3	-30.8	175	-88.8	-32.5	0	0	0	112.7	Y48 F50 T54 R347	Y48-N52 VanDerWaalsContact CE1-ND2 3.29Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.32Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.45Å; Y48-N52 WeakPolarHBondContact O-CB 3.47Å; Y48-N52 PolarHBondContact O-N 3.41Å; Y48-N52 VanDerWaalsContact O-N 3.12Å; Y48-N52 PolarHBondContact OH-ND2 3Å; F50-N52 PolarHBondContact O-N 3.21Å; N52-T54 VanDerWaalsContact C-N 3.32Å; N52-T54 PolarHBondContact O-N 2.92Å; N52-R347 PolarHBondContact O-NE 3.39Å; N52-R347 PolarHBondContact O-NH1 2.9Å; N52-R347 VanDerWaalsContact O-NH1 3.08Å; N52-R347 PolarHBondContact O-NH2 3.18Å
53	R	56.7	Low	71.5	Confident	133 Å²	133	61.7 Å²	61.7	50%	0.502	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-30.4	-176.8	-79	-179.1	-164.5	-173.1	3.4	114.2	I49 F50 R347 N350	I49-R53 PolarHBondContact O-N 2.85Å; F50-R53 PolarHBondContact O-N 3.23Å; R53-R347 PolarHBondContact O-NH2 3.39Å; R53-N350 PolarHBondContact NH2-OD1 3.46Å
54	T	56.7	Low	73.5	Confident	126 Å²	126	56.9 Å²	56.9	77%	0.773	30%	0.295	S	S	*	.	H	α-helix	trans	-80.2	-25.6	-174.5	54.2	0	0	0	0	113.6	A51 N52	A51-T54 PolarHBondContact O-OG1 3.28Å; N52-T54 VanDerWaalsContact C-N 3.32Å; N52-T54 PolarHBondContact O-N 2.92Å
55	N	65.1	Low	75.4	Confident	81 Å²	81	50.1 Å²	50.1	43%	0.433	27%	0.271	S	S	.	.			trans	-95	105.5	177.9	-176.5	2.4	0	0	0	110.4	S57 R347	N55-S57 PolarHBondContact O-N 3.18Å; N55-S57 VanDerWaalsContact O-N 3.09Å; N55-S57 WeakPolarHBondContact OD1-CB 3.31Å; N55-S57 PolarHBondContact OD1-N 3.2Å; N55-S57 VanDerWaalsContact OD1-N 3.07Å; N55-R347 PolarHBondContact O-NH1 3Å; N55-R347 PolarHBondContact O-NH2 2.82Å
56	D	81.5	Confident	77	Confident	92 Å²	92	49 Å²	49	49%	0.492	26%	0.264	S	S	.	.			trans	-61.8	-17.3	179.5	-176.3	57.3	0	0	0	113.6	N83 K344	D56-N83 PolarHBondContact OD2-ND2 3.1Å; D56-K344 IonicContact OD1-NZ 3.15Å; D56-K344 IonicContact OD2-NZ 3.21Å; D56-K344 PolarHBondContact OD2-NZ 3.21Å
57	S	91.9	Very high	78.7	Confident	23 Å²	23	49.7 Å²	49.7	16%	0.161	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-78	133.8	-179.8	-170.4	0	0	0	0	112.9	N55 N83	N55-S57 PolarHBondContact O-N 3.18Å; N55-S57 VanDerWaalsContact O-N 3.09Å; N55-S57 WeakPolarHBondContact OD1-CB 3.31Å; N55-S57 PolarHBondContact OD1-N 3.2Å; N55-S57 VanDerWaalsContact OD1-N 3.07Å; S57-N83 WeakPolarHBondContact CA-O 3.26Å; S57-N83 WeakPolarHBondContact CB-O 3.49Å; S57-N83 PolarHBondContact OG-O 3.18Å
58	I	95.4	Very high	80.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.4	173	-63.5	-63.7	0	0	0	109	I60 N83 C84 F85 L343 K344	I58-I60 HydrophobicContact CG2-CG1 4.31Å; I58-N83 PolarHBondContact N-O 3.46Å; I58-C84 VanDerWaalsContact CB-SG 3.52Å; I58-C84 CarbonylContact O-C 3.47Å; I58-C84 WeakPolarHBondContact O-CA 3.5Å; I58-F85 PolarHBondContact O-N 3.03Å; I58-L343 HydrophobicContact CG2-CB 3.82Å; I58-L343 HydrophobicContact CG2-CD1 3.77Å; I58-L343 HydrophobicContact CG2-CG 4.46Å; I58-K344 HydrophobicContact CD1-CG 4.3Å; I58-K344 HydrophobicContact CG1-CD 4.48Å; I58-K344 HydrophobicContact CG1-CG 3.51Å
59	T	97.5	Very high	81.5	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.049	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.7	175.7	-63.8	0	0	0	0	110.8	F85 T87 Y92 S96 S97	T59-F85 HydrophobicContact CG2-CD1 4.21Å; T59-T87 HydrophobicContact CG2-CG2 4.14Å; T59-Y92 HydrophobicContact CG2-CD1 4.12Å; T59-S96 CarbonylContact O-C 3.48Å; T59-S96 WeakPolarHBondContact O-CA 3.49Å; T59-S97 PolarHBondContact O-N 2.87Å
60	I	98.4	Very high	83.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.8	174.1	-66.3	165.6	0	0	0	108.1	I58 F76 F85 V86 T87 I100 F336 L339 L343	I58-I60 HydrophobicContact CG2-CG1 4.31Å; I60-F76 HydrophobicContact CD1-CE1 4.18Å; I60-F76 HydrophobicContact CD1-CZ 3.88Å; I60-F85 PolarHBondContact N-O 3.33Å; I60-V86 WeakPolarHBondContact O-CA 3.27Å; I60-T87 PolarHBondContact O-N 2.92Å; I60-I100 HydrophobicContact CG2-CD1 3.46Å; I60-I100 VanDerWaalsContact CG2-CD1 3.46Å; I60-I100 HydrophobicContact CG2-CG1 3.94Å; I60-F336 HydrophobicContact CG2-CE1 4.39Å; I60-L339 HydrophobicContact CD1-CD2 4.02Å; I60-L339 HydrophobicContact CD1-CG 4.1Å; I60-L339 HydrophobicContact CG1-CD2 4.48Å; I60-L339 HydrophobicContact CG2-CD2 4.24Å; I60-L343 HydrophobicContact CD1-CD1 4.01Å; I60-L343 HydrophobicContact CG1-CD1 3.78Å
61	L	98.5	Very high	85.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119	-178.9	175.5	61	0	0	0	110.6	W63 T87 N89 F93 A98 V99 I100	L61-W63 HydrophobicContact CD2-CE3 3.71Å; L61-W63 HydrophobicContact CD2-CZ3 3.9Å; L61-W63 HydrophobicContact CG-CE3 4.39Å; L61-W63 PolarHBondContact O-N 3.45Å; L61-T87 WeakPolarHBondContact CA-O 3.21Å; L61-T87 HydrophobicContact CD1-CG2 4.06Å; L61-T87 WeakPolarHBondContact CD1-O 3.44Å; L61-N89 WeakPolarHBondContact CD1-O 3.37Å; L61-F93 HydrophobicContact CD2-CB 4.01Å; L61-F93 HydrophobicContact CD2-CD2 4.17Å; L61-A98 PolarHBondContact N-O 3.2Å; L61-V99 HydrophobicContact CB-CG2 4.37Å; L61-V99 HydrophobicContact CD2-CG1 4.42Å; L61-V99 HydrophobicContact CD2-CG2 4.33Å; L61-V99 HydrophobicContact CG-CG1 4.42Å; L61-V99 CarbonylContact O-C 3.53Å; L61-V99 VanDerWaalsContact O-CA 3.27Å; L61-V99 WeakPolarHBondContact O-CA 3.2Å; L61-I100 PolarHBondContact O-N 3.26Å
62	M	98.3	Very high	86.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	109.8	163.3	-66.8	-65	-57.9	0	0	108.3	F64 F71 V86 T87 H88 I100 F124 F336	M62-F64 VanDerWaalsContact C-N 3.34Å; M62-F71 HydrophobicContact CE-CD2 3.73Å; M62-F71 HydrophobicContact CE-CE2 3.92Å; M62-F71 HydrophobicContact CG-CD2 4.41Å; M62-F71 HydrophobicContact SD-CD2 3.94Å; M62-F71 HydrophobicContact SD-CE2 4.48Å; M62-V86 HydrophobicContact CG-CG2 3.93Å; M62-T87 PolarHBondContact N-O 2.78Å; M62-H88 WeakPolarHBondContact CB-CE1 3.26Å; M62-H88 WeakPolarHBondContact CB-ND1 3.38Å; M62-I100 HydrophobicContact CE-CB 4.47Å; M62-I100 HydrophobicContact CE-CG2 4.12Å; M62-I100 HydrophobicContact SD-CB 3.66Å; M62-I100 HydrophobicContact SD-CD1 3.79Å; M62-I100 HydrophobicContact SD-CG1 4.25Å; M62-I100 HydrophobicContact SD-CG2 3.78Å; M62-F124 HydrophobicContact CE-CD1 4.36Å; M62-F336 HydrophobicContact SD-CE1 4.38Å; M62-F336 HydrophobicContact SD-CZ 4.03Å
63	W	98	Very high	89	Confident	24 Å²	24	58.8 Å²	58.8	9%	0.091	30%	0.303	C	S	.	.	S	Bend	trans	-72.3	-32.8	-176.4	-167.3	-94.9	0	0	0	113.1	L61 R90 F93 V99 I100 F101 E110 P112	L61-W63 HydrophobicContact CD2-CE3 3.71Å; L61-W63 HydrophobicContact CD2-CZ3 3.9Å; L61-W63 HydrophobicContact CG-CE3 4.39Å; L61-W63 PolarHBondContact O-N 3.45Å; W63-R90 HydrophobicContact CE3-CG 4.4Å; W63-R90 HydrophobicContact CH2-CB 4.49Å; W63-R90 HydrophobicContact CH2-CG 4.25Å; W63-R90 HydrophobicContact CZ3-CB 4.41Å; W63-R90 HydrophobicContact CZ3-CG 4.17Å; W63-F93 HydrophobicContact CE3-CD2 4.12Å; W63-F93 HydrophobicContact CH2-CD2 4.24Å; W63-F93 HydrophobicContact CZ3-CB 4.16Å; W63-F93 AromaticContact CZ3-CD2 3.46Å; W63-F93 HydrophobicContact CZ3-CD2 3.46Å; W63-F93 VanDerWaalsContact CZ3-CD2 3.46Å; W63-F93 HydrophobicContact CZ3-CE2 4.18Å; W63-F93 HydrophobicContact CZ3-CG 4.06Å; W63-V99 HydrophobicContact CB-CG1 3.73Å; W63-V99 HydrophobicContact CD2-CG1 4.29Å; W63-V99 HydrophobicContact CE3-CG1 3.86Å; W63-V99 HydrophobicContact CG-CG1 4.28Å; W63-I100 PolarHBondContact N-O 2.73Å; W63-F101 HydrophobicContact CB-CD1 3.8Å; W63-F101 HydrophobicContact CB-CE1 3.68Å; W63-F101 HydrophobicContact CB-CZ 4.32Å; W63-F101 AromaticContact CD1-CE1 3.72Å; W63-F101 HydrophobicContact CD2-CE1 4.18Å; W63-F101 AromaticContact CG-CD1 4Å; W63-F101 HydrophobicContact CG-CD1 4Å; W63-F101 AromaticContact CG-CE1 3.53Å; W63-F101 HydrophobicContact CG-CE1 3.53Å; W63-F101 HydrophobicContact CG-CZ 4.31Å; W63-E110 WeakPolarHBondContact CZ2-O 3.31Å; W63-E110 PolarHBondContact NE1-O 3.37Å; W63-P112 HydrophobicContact CD2-CG 3.8Å; W63-P112 VanDerWaalsContact CE2-CD 3.47Å; W63-P112 HydrophobicContact CE3-CG 3.84Å; W63-P112 HydrophobicContact CH2-CB 3.79Å; W63-P112 HydrophobicContact CH2-CG 3.56Å; W63-P112 HydrophobicContact CZ2-CB 3.96Å; W63-P112 HydrophobicContact CZ2-CG 3.5Å; W63-P112 VanDerWaalsContact CZ2-CG 3.5Å; W63-P112 HydrophobicContact CZ3-CB 4.25Å; W63-P112 HydrophobicContact CZ3-CG 3.74Å
64	F	96.9	Very high	90.8	Very high	19 Å²	19	55.9 Å²	55.9	8%	0.083	30%	0.303	C	S	.	.	S	Bend	trans	-127.7	157.5	171.7	-60	-74.6	0	0	0	108.8	M62 F101 S105 I106 V107 E110 L111	M62-F64 VanDerWaalsContact C-N 3.34Å; F64-F101 HydrophobicContact CD2-CD1 4.38Å; F64-F101 HydrophobicContact CE2-CD1 4.23Å; F64-S105 WeakPolarHBondContact CD1-O 3.36Å; F64-S105 WeakPolarHBondContact CG-O 3.14Å; F64-I106 HydrophobicContact CD2-CB 4.44Å; F64-I106 HydrophobicContact CD2-CG1 3.98Å; F64-I106 HydrophobicContact CE2-CB 3.98Å; F64-I106 HydrophobicContact CE2-CG1 3.84Å; F64-I106 HydrophobicContact CE2-CG2 4.01Å; F64-I106 HydrophobicContact CZ-CG2 4.44Å; F64-V107 HydrophobicContact CE1-CB 4.14Å; F64-V107 HydrophobicContact CE1-CG2 4.38Å; F64-V107 HydrophobicContact CZ-CB 4.3Å; F64-V107 VanDerWaalsContact CZ-N 3.32Å; F64-E110 HydrophobicContact CE1-CB 4.17Å; F64-E110 HydrophobicContact CZ-CB 4.2Å; F64-L111 HydrophobicContact CE2-CD2 4.19Å
65	G	93.7	Very high	92.6	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	27%	0.268	C	S	.	.			trans	-64.5	163.5	170.1	0	0	0	0	0	112.5	F67 S105	G65-F67 PolarHBondContact O-N 3.13Å; G65-S105 WeakPolarHBondContact O-CB 3.43Å; G65-S105 PolarHBondContact O-OG 3.05Å; G65-S105 VanDerWaalsContact O-OG 3.13Å
66	Y	92.4	Very high	94.1	Very high	32 Å²	32	46.7 Å²	46.7	13%	0.125	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-89.6	88.1	170.2	178.6	-135.9	0	0	0	108.5	S68 S69 F71 H102 F124	Y66-S68 PolarHBondContact O-N 2.75Å; Y66-S69 PolarHBondContact N-O 2.93Å; Y66-S69 WeakPolarHBondContact O-CB 3.45Å; Y66-S69 PolarHBondContact O-N 3.37Å; Y66-F71 HydrophobicContact CD1-CE1 4.38Å; Y66-F71 HydrophobicContact CD1-CE2 4.26Å; Y66-F71 AromaticContact CD1-CZ 3.69Å; Y66-F71 HydrophobicContact CD1-CZ 3.69Å; Y66-F71 HydrophobicContact CE1-CZ 4.44Å; Y66-F71 HydrophobicContact CG-CE2 4.19Å; Y66-F71 HydrophobicContact CG-CZ 4.08Å; Y66-H102 AromaticContact CD2-CD2 3.59Å; Y66-H102 AromaticContact CD2-CE1 3.64Å; Y66-H102 AromaticContact CD2-CG 3.85Å; Y66-H102 AromaticContact CD2-ND1 3.89Å; Y66-H102 AromaticContact CD2-NE2 3.47Å; Y66-H102 WeakPolarHBondContact CD2-NE2 3.43Å; Y66-H102 AromaticContact CE2-CD2 3.89Å; Y66-H102 AromaticContact CE2-CE1 3.95Å; Y66-H102 AromaticContact CE2-NE2 3.47Å; Y66-H102 WeakPolarHBondContact CE2-NE2 3.25Å; Y66-F124 AromaticContact CD2-CE1 3.79Å; Y66-F124 HydrophobicContact CD2-CE1 3.79Å; Y66-F124 HydrophobicContact CD2-CZ 4.33Å; Y66-F124 HydrophobicContact CE2-CE1 4.27Å; Y66-F124 HydrophobicContact CE2-CZ 4.42Å; Y66-F124 HydrophobicContact CG-CE1 4.1Å
67	F	92	Very high	94.7	Very high	88 Å²	88	46.1 Å²	46.1	39%	0.386	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-125	-164.3	-54.9	-77.3	0	0	0	110.8	G65 S69 H102 R104	G65-F67 PolarHBondContact O-N 3.13Å; F67-S69 VanDerWaalsContact C-N 3.33Å; F67-H102 AromaticContact CD1-CE1 3.92Å; F67-H102 AromaticContact CD2-CE1 3.78Å; F67-H102 AromaticContact CE1-CE1 3.74Å; F67-H102 AromaticContact CE2-CE1 3.62Å; F67-H102 AromaticContact CE2-NE2 3.77Å; F67-H102 AromaticContact CG-CE1 3.94Å; F67-H102 AromaticContact CZ-CE1 3.6Å; F67-H102 AromaticContact CZ-NE2 3.82Å; F67-R104 HydrophobicContact CE1-CB 4.09Å; F67-R104 HydrophobicContact CZ-CB 4.45Å
68	S	86.8	Confident	94.8	Very high	120 Å²	120	48.7 Å²	48.7	84%	0.839	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.9	174.2	52.5	0	0	0	0	113.5	Y66	Y66-S68 PolarHBondContact O-N 2.75Å
69	S	89.6	Confident	94.8	Very high	67 Å²	67	48.7 Å²	48.7	47%	0.469	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-88.4	148.6	-176.3	-58.8	0	0	0	0	112	Y66 F67	Y66-S69 PolarHBondContact N-O 2.93Å; Y66-S69 WeakPolarHBondContact O-CB 3.45Å; Y66-S69 PolarHBondContact O-N 3.37Å; F67-S69 VanDerWaalsContact C-N 3.33Å
70	R	93.7	Very high	94.7	Very high	197 Å²	197	53 Å²	53	74%	0.743	29%	0.293	S	S	*	.			trans	-122.1	122.8	172.4	-68.3	-176.3	175.6	-178.2	-1.5	109
71	F	95	Very high	94.6	Very high	20 Å²	20	58.7 Å²	58.7	9%	0.088	32%	0.319	C	S	.	.			trans	-65.1	136.9	168.7	-63.4	-60.2	0	0	0	110	M62 Y66 V75 H88 F124 H332 F336	M62-F71 HydrophobicContact CE-CD2 3.73Å; M62-F71 HydrophobicContact CE-CE2 3.92Å; M62-F71 HydrophobicContact CG-CD2 4.41Å; M62-F71 HydrophobicContact SD-CD2 3.94Å; M62-F71 HydrophobicContact SD-CE2 4.48Å; Y66-F71 HydrophobicContact CD1-CE1 4.38Å; Y66-F71 HydrophobicContact CD1-CE2 4.26Å; Y66-F71 AromaticContact CD1-CZ 3.69Å; Y66-F71 HydrophobicContact CD1-CZ 3.69Å; Y66-F71 HydrophobicContact CE1-CZ 4.44Å; Y66-F71 HydrophobicContact CG-CE2 4.19Å; Y66-F71 HydrophobicContact CG-CZ 4.08Å; F71-V75 HydrophobicContact CB-CG1 3.94Å; F71-V75 HydrophobicContact CD1-CG1 3.79Å; F71-V75 HydrophobicContact CG-CG1 4.14Å; F71-H88 PolarHBondContact N-NE2 3.17Å; F71-H88 PolarHBondContact O-CD2 3.2Å; F71-H88 PolarHBondContact O-NE2 3.09Å; F71-F124 AromaticContact CE2-CE1 3.87Å; F71-F124 HydrophobicContact CE2-CE1 3.87Å; F71-F124 HydrophobicContact CE2-CZ 4.12Å; F71-F124 HydrophobicContact CZ-CE1 4.29Å; F71-F124 HydrophobicContact CZ-CZ 4.15Å; F71-H332 HydrophobicContact CE1-CB 4.49Å; F71-H332 AromaticContact CE1-CE1 3.89Å; F71-H332 AromaticContact CE1-CG 3.89Å; F71-H332 AromaticContact CE1-ND1 3.73Å; F71-F336 HydrophobicContact CB-CZ 4.26Å; F71-F336 HydrophobicContact CD1-CE2 4.17Å; F71-F336 AromaticContact CD2-CE2 3.86Å; F71-F336 HydrophobicContact CD2-CE2 3.86Å; F71-F336 AromaticContact CD2-CZ 3.58Å; F71-F336 HydrophobicContact CD2-CZ 3.58Å; F71-F336 HydrophobicContact CE1-CE2 4.31Å; F71-F336 AromaticContact CE2-CE2 4Å; F71-F336 HydrophobicContact CE2-CE2 4Å; F71-F336 HydrophobicContact CE2-CZ 4.02Å; F71-F336 AromaticContact CG-CE2 3.95Å; F71-F336 HydrophobicContact CG-CE2 3.95Å; F71-F336 AromaticContact CG-CZ 3.89Å; F71-F336 HydrophobicContact CG-CZ 3.89Å; F71-F336 HydrophobicContact CZ-CE2 4.22Å
72	D	95.2	Very high	94.4	Very high	95 Å²	95	59.7 Å²	59.7	51%	0.508	32%	0.324	S	S	.	.			trans	-117	-173.4	174.4	63.9	27.5	0	0	0	110.1	S74 V75 V86	D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 WeakPolarHBondContact OD1-CB 3.24Å; D72-S74 PolarHBondContact OD1-N 2.96Å; D72-S74 PolarHBondContact OD1-OG 3.21Å; D72-V75 VanDerWaalsContact O-CG2 3.31Å; D72-V75 WeakPolarHBondContact O-CG2 3.37Å; D72-V75 PolarHBondContact O-N 3.14Å; D72-V86 VanDerWaalsContact C-CG1 3.48Å; D72-V86 VanDerWaalsContact O-CG1 3.23Å; D72-V86 WeakPolarHBondContact O-CG1 3.13Å
73	Q	96	Very high	94.3	Very high	88 Å²	88	63.2 Å²	63.2	41%	0.411	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-63.6	-13.9	-175.8	-164.6	58.5	23.7	0	0	114.2	V75 F76 C84	Q73-V75 PolarHBondContact O-N 2.9Å; Q73-V75 VanDerWaalsContact O-N 3.15Å; Q73-F76 PolarHBondContact O-N 3.11Å; Q73-F76 VanDerWaalsContact O-N 3.1Å; Q73-C84 PolarHBondContact NE2-O 2.94Å
74	S	94.6	Very high	94.2	Very high	72 Å²	72	62.3 Å²	62.3	50%	0.503	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.2	-20.4	175.4	70	0	0	0	0	113.3	D72 F76 S77	D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 WeakPolarHBondContact OD1-CB 3.24Å; D72-S74 PolarHBondContact OD1-N 2.96Å; D72-S74 PolarHBondContact OD1-OG 3.21Å; S74-F76 PolarHBondContact O-N 2.82Å; S74-F76 VanDerWaalsContact O-N 3.07Å; S74-S77 VanDerWaalsContact O-CB 3.23Å; S74-S77 WeakPolarHBondContact O-CB 3.41Å; S74-S77 PolarHBondContact O-N 3.18Å; S74-S77 PolarHBondContact O-OG 3.41Å
75	V	95.2	Very high	94.2	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.03	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65.1	-7.5	173.9	-55.4	0	0	0	0	113.9	F71 D72 Q73 V86 H332 A333 F336	F71-V75 HydrophobicContact CB-CG1 3.94Å; F71-V75 HydrophobicContact CD1-CG1 3.79Å; F71-V75 HydrophobicContact CG-CG1 4.14Å; D72-V75 VanDerWaalsContact O-CG2 3.31Å; D72-V75 WeakPolarHBondContact O-CG2 3.37Å; D72-V75 PolarHBondContact O-N 3.14Å; Q73-V75 PolarHBondContact O-N 2.9Å; Q73-V75 VanDerWaalsContact O-N 3.15Å; V75-V86 HydrophobicContact CG2-CB 4.37Å; V75-V86 HydrophobicContact CG2-CG1 3.8Å; V75-H332 HydrophobicContact CG1-CB 4.47Å; V75-A333 VanDerWaalsContact O-CA 3.29Å; V75-A333 WeakPolarHBondContact O-CA 3.39Å; V75-F336 HydrophobicContact CB-CB 3.86Å; V75-F336 HydrophobicContact CB-CD1 4.32Å; V75-F336 HydrophobicContact CB-CD2 3.7Å; V75-F336 HydrophobicContact CB-CE2 4.32Å; V75-F336 HydrophobicContact CB-CG 3.7Å; V75-F336 HydrophobicContact CG1-CD2 3.93Å; V75-F336 HydrophobicContact CG1-CE2 4.09Å; V75-F336 HydrophobicContact CG1-CG 4.37Å; V75-F336 HydrophobicContact CG2-CB 3.83Å; V75-F336 HydrophobicContact CG2-CD1 3.7Å; V75-F336 HydrophobicContact CG2-CD2 4.01Å; V75-F336 HydrophobicContact CG2-CE1 4.24Å; V75-F336 HydrophobicContact CG2-CG 3.57Å; V75-F336 WeakPolarHBondContact O-CB 3.48Å
76	F	96.1	Very high	94.4	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.035	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-112.2	14.2	172.6	-55.6	-69.1	0	0	0	113.4	I60 Q73 S74 D78 C79 C84 V86 F336 C340	I60-F76 HydrophobicContact CD1-CE1 4.18Å; I60-F76 HydrophobicContact CD1-CZ 3.88Å; Q73-F76 PolarHBondContact O-N 3.11Å; Q73-F76 VanDerWaalsContact O-N 3.1Å; S74-F76 PolarHBondContact O-N 2.82Å; S74-F76 VanDerWaalsContact O-N 3.07Å; F76-D78 PolarHBondContact O-N 2.96Å; F76-C79 CarbonylContact O-C 3.6Å; F76-C79 PolarHBondContact O-N 2.53Å; F76-C84 HydrophobicContact CD1-CB 3.82Å; F76-C84 HydrophobicContact CD2-CB 4.31Å; F76-C84 HydrophobicContact CE1-CB 3.52Å; F76-C84 HydrophobicContact CE2-CB 4.02Å; F76-C84 HydrophobicContact CG-CB 4.21Å; F76-C84 HydrophobicContact CZ-CB 3.63Å; F76-V86 HydrophobicContact CE2-CB 3.74Å; F76-V86 HydrophobicContact CE2-CG1 3.88Å; F76-V86 HydrophobicContact CZ-CB 4.22Å; F76-F336 HydrophobicContact CD1-CB 4.23Å; F76-F336 HydrophobicContact CE1-CB 3.79Å; F76-F336 HydrophobicContact CE1-CD1 4.29Å; F76-F336 HydrophobicContact CZ-CB 4.34Å; F76-F336 HydrophobicContact CZ-CD1 4.03Å; F76-C340 HydrophobicContact CD1-CB 4.39Å; F76-C340 HydrophobicContact CE1-CB 3.96Å
77	S	94.1	Very high	94.7	Very high	81 Å²	81	63.6 Å²	63.6	57%	0.566	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-32.6	179.8	50	0	0	0	0	113.9	S74 C79	S74-S77 VanDerWaalsContact O-CB 3.23Å; S74-S77 WeakPolarHBondContact O-CB 3.41Å; S74-S77 PolarHBondContact O-N 3.18Å; S74-S77 PolarHBondContact O-OG 3.41Å; S77-C79 VanDerWaalsContact C-N 3.34Å
78	D	93.3	Very high	95	Very high	77 Å²	77	61.4 Å²	61.4	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.1	178	-73.2	-16.2	0	0	0	113.7	F76 A333	F76-D78 PolarHBondContact O-N 2.96Å; D78-A333 HydrophobicContact CB-CB 4.06Å
79	C	95.8	Very high	95.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	32%	0.315	C	S	.	.			trans	-151.5	50.3	-178.5	62.4	0	0	0	0	114.7	F76 S77 E81 L82 C337	F76-C79 CarbonylContact O-C 3.6Å; F76-C79 PolarHBondContact O-N 2.53Å; S77-C79 VanDerWaalsContact C-N 3.34Å; C79-E81 WeakPolarHBondContact CA-OE2 3.33Å; C79-E81 PolarHBondContact O-N 3.48Å; C79-E81 VanDerWaalsContact O-N 3.12Å; C79-L82 HydrophobicContact CB-CD1 3.58Å; C79-L82 HydrophobicContact CB-CG 3.97Å; C79-L82 PolarHBondContact O-N 3.5Å; C79-L82 VanDerWaalsContact O-N 3.11Å; C79-C337 HydrophobicContact CB-CB 3.71Å; C79-C337 WeakPolarHBondContact CB-SG 3.33Å; C79-C337 WeakPolarHBondContact SG-CA 3.42Å; C79-C337 WeakPolarHBondContact SG-CB 3.44Å; C79-C337 CovalentContact SG-SG 2.02Å; C79-C337 PolarHBondContact SG-SG 3.05Å
80	P	95.3	Very high	95.8	Very high	99 Å²	99	61 Å²	61	64%	0.643	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.5	-177.9	27.3	-36	0	0	0	112.9	L82 N83	P80-L82 PolarHBondContact O-N 3.17Å; P80-L82 VanDerWaalsContact O-N 3.15Å; P80-N83 PolarHBondContact O-N 3.21Å
81	E	95.2	Very high	96	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.6	178.7	75.8	-73.2	172.3	0	0	113.7	C79 N83 R341	C79-E81 WeakPolarHBondContact CA-OE2 3.33Å; C79-E81 PolarHBondContact O-N 3.48Å; C79-E81 VanDerWaalsContact O-N 3.12Å; E81-N83 VanDerWaalsContact C-N 3.31Å; E81-R341 IonicContact OE1-CZ 3.42Å; E81-R341 IonicContact OE1-NH2 3.33Å; E81-R341 PolarHBondContact OE1-NH2 3.41Å
82	L	95.6	Very high	96.1	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.11	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-80	-14.4	-178	-56.5	176	0	0	0	112.9	C79 P80 C84 C340 R341 K344	C79-L82 HydrophobicContact CB-CD1 3.58Å; C79-L82 HydrophobicContact CB-CG 3.97Å; C79-L82 PolarHBondContact O-N 3.5Å; C79-L82 VanDerWaalsContact O-N 3.11Å; P80-L82 PolarHBondContact O-N 3.17Å; P80-L82 VanDerWaalsContact O-N 3.15Å; L82-C84 VanDerWaalsContact C-N 3.25Å; L82-C84 PolarHBondContact O-N 3.41Å; L82-C340 WeakPolarHBondContact CB-SG 3.38Å; L82-C340 HydrophobicContact CD1-CB 3.95Å; L82-C340 VanDerWaalsContact CD1-SG 3.52Å; L82-R341 HydrophobicContact CD1-CB 4.45Å; L82-R341 HydrophobicContact CD1-CG 3.32Å; L82-R341 HydrophobicContact CD2-CG 3.7Å; L82-R341 HydrophobicContact CG-CG 4.15Å; L82-K344 HydrophobicContact CB-CD 4.25Å; L82-K344 HydrophobicContact CD2-CD 4.39Å; L82-K344 VanDerWaalsContact O-CD 3.22Å; L82-K344 WeakPolarHBondContact O-CD 3.45Å; L82-K344 WeakPolarHBondContact O-CE 3.23Å; L82-K344 PolarHBondContact O-NZ 3.12Å
83	N	95	Very high	96.2	Very high	75 Å²	75	55.6 Å²	55.6	40%	0.401	30%	0.296	S	S	.	.			trans	54.6	40.1	177.7	-169.1	23.1	0	0	0	113	D56 S57 I58 P80 E81	D56-N83 PolarHBondContact OD2-ND2 3.1Å; S57-N83 WeakPolarHBondContact CA-O 3.26Å; S57-N83 WeakPolarHBondContact CB-O 3.49Å; S57-N83 PolarHBondContact OG-O 3.18Å; I58-N83 PolarHBondContact N-O 3.46Å; P80-N83 PolarHBondContact O-N 3.21Å; E81-N83 VanDerWaalsContact C-N 3.31Å
84	C	97.4	Very high	96.1	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.034	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	154.4	173.4	-85.1	0	0	0	0	111.7	I58 Q73 F76 L82 C340	I58-C84 VanDerWaalsContact CB-SG 3.52Å; I58-C84 CarbonylContact O-C 3.47Å; I58-C84 WeakPolarHBondContact O-CA 3.5Å; Q73-C84 PolarHBondContact NE2-O 2.94Å; F76-C84 HydrophobicContact CD1-CB 3.82Å; F76-C84 HydrophobicContact CD2-CB 4.31Å; F76-C84 HydrophobicContact CE1-CB 3.52Å; F76-C84 HydrophobicContact CE2-CB 4.02Å; F76-C84 HydrophobicContact CG-CB 4.21Å; F76-C84 HydrophobicContact CZ-CB 3.63Å; L82-C84 VanDerWaalsContact C-N 3.25Å; L82-C84 PolarHBondContact O-N 3.41Å; C84-C340 HydrophobicContact CB-CB 3.86Å; C84-C340 WeakPolarHBondContact CB-SG 3.34Å; C84-C340 VanDerWaalsContact SG-CA 3.55Å; C84-C340 WeakPolarHBondContact SG-CB 3.42Å; C84-C340 CovalentContact SG-SG 1.98Å; C84-C340 PolarHBondContact SG-SG 3.15Å
85	F	97.2	Very high	96.1	Very high	73 Å²	73	58.6 Å²	58.6	32%	0.32	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.8	177.7	176.1	-114.3	0	0	0	110.2	I58 T59 I60 T87 Y92	I58-F85 PolarHBondContact O-N 3.03Å; T59-F85 HydrophobicContact CG2-CD1 4.21Å; I60-F85 PolarHBondContact N-O 3.33Å; F85-T87 HydrophobicContact CD1-CG2 4.36Å; F85-T87 HydrophobicContact CE1-CG2 3.86Å; F85-Y92 HydrophobicContact CE1-CD1 4.32Å; F85-Y92 HydrophobicContact CE1-CE1 4.06Å
86	V	97.8	Very high	96.2	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.5	174.2	65.1	0	0	0	0	110.4	I60 M62 D72 V75 F76 F336	I60-V86 WeakPolarHBondContact O-CA 3.27Å; M62-V86 HydrophobicContact CG-CG2 3.93Å; D72-V86 VanDerWaalsContact C-CG1 3.48Å; D72-V86 VanDerWaalsContact O-CG1 3.23Å; D72-V86 WeakPolarHBondContact O-CG1 3.13Å; V75-V86 HydrophobicContact CG2-CB 4.37Å; V75-V86 HydrophobicContact CG2-CG1 3.8Å; F76-V86 HydrophobicContact CE2-CB 3.74Å; F76-V86 HydrophobicContact CE2-CG1 3.88Å; F76-V86 HydrophobicContact CZ-CB 4.22Å; V86-F336 HydrophobicContact CG2-CE1 4.01Å
87	T	97.9	Very high	96.2	Very high	17 Å²	17	58.5 Å²	58.5	10%	0.104	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.2	179.3	-177.6	0	0	0	0	111.8	T59 I60 L61 M62 F85 N89 Y92	T59-T87 HydrophobicContact CG2-CG2 4.14Å; I60-T87 PolarHBondContact O-N 2.92Å; L61-T87 WeakPolarHBondContact CA-O 3.21Å; L61-T87 HydrophobicContact CD1-CG2 4.06Å; L61-T87 WeakPolarHBondContact CD1-O 3.44Å; M62-T87 PolarHBondContact N-O 2.78Å; F85-T87 HydrophobicContact CD1-CG2 4.36Å; F85-T87 HydrophobicContact CE1-CG2 3.86Å; T87-N89 WeakPolarHBondContact OG1-CB 3.28Å; T87-N89 PolarHBondContact OG1-N 3.32Å; T87-Y92 HydrophobicContact CG2-CD1 4.4Å; T87-Y92 HydrophobicContact CG2-CD2 4.38Å; T87-Y92 HydrophobicContact CG2-CG 3.94Å
88	H	97.8	Very high	96.4	Very high	43 Å²	43	54.7 Å²	54.7	20%	0.199	28%	0.275	C	S	.	.			trans	-109.2	2.7	170.4	-63	-107	0	0	0	111.6	M62 F71 R90	M62-H88 WeakPolarHBondContact CB-CE1 3.26Å; M62-H88 WeakPolarHBondContact CB-ND1 3.38Å; F71-H88 PolarHBondContact N-NE2 3.17Å; F71-H88 PolarHBondContact O-CD2 3.2Å; F71-H88 PolarHBondContact O-NE2 3.09Å; H88-R90 PolarHBondContact O-N 2.87Å
89	N	97.4	Very high	96.6	Very high	82 Å²	82	51 Å²	51	44%	0.439	26%	0.256	S	S	.	.			trans	-80.6	111.6	179.7	-176	-5.7	0	0	0	110.2	L61 T87 S91 Y92	L61-N89 WeakPolarHBondContact CD1-O 3.37Å; T87-N89 WeakPolarHBondContact OG1-CB 3.28Å; T87-N89 PolarHBondContact OG1-N 3.32Å; N89-S91 PolarHBondContact ND2-OG 2.97Å; N89-S91 VanDerWaalsContact ND2-OG 3.11Å; N89-S91 PolarHBondContact O-N 3.06Å; N89-S91 WeakPolarHBondContact OD1-CB 2.94Å; N89-S91 PolarHBondContact OD1-N 2.89Å; N89-S91 PolarHBondContact OD1-OG 3.38Å; N89-S91 VanDerWaalsContact OD1-OG 3.06Å; N89-Y92 HydrophobicContact CB-CD2 3.94Å; N89-Y92 HydrophobicContact CB-CE2 4.39Å; N89-Y92 WeakPolarHBondContact O-CB 3Å; N89-Y92 PolarHBondContact O-N 2.71Å
90	R	96.8	Very high	96.8	Very high	97 Å²	97	51 Å²	51	37%	0.366	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-60	-18.6	-179.2	-67.8	-176.6	176.6	168.5	1	113.7	W63 H88 Y92 F93 E110	W63-R90 HydrophobicContact CE3-CG 4.4Å; W63-R90 HydrophobicContact CH2-CB 4.49Å; W63-R90 HydrophobicContact CH2-CG 4.25Å; W63-R90 HydrophobicContact CZ3-CB 4.41Å; W63-R90 HydrophobicContact CZ3-CG 4.17Å; H88-R90 PolarHBondContact O-N 2.87Å; R90-Y92 PolarHBondContact O-N 2.99Å; R90-F93 WeakPolarHBondContact O-CB 3.4Å; R90-F93 PolarHBondContact O-N 3.48Å; R90-F93 VanDerWaalsContact O-N 3.14Å; R90-E110 IonicContact CZ-OE2 3.37Å; R90-E110 IonicContact NH1-OE2 3.01Å; R90-E110 PolarHBondContact NH1-OE2 3.19Å; R90-E110 IonicContact NH2-OE2 2.78Å; R90-E110 PolarHBondContact NH2-OE2 3.27Å
91	S	96.9	Very high	96.9	Very high	77 Å²	77	46.2 Å²	46.2	54%	0.538	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-63.1	-20.3	173.6	75.4	0	0	0	0	113	N89 F93 Q95	N89-S91 PolarHBondContact ND2-OG 2.97Å; N89-S91 VanDerWaalsContact ND2-OG 3.11Å; N89-S91 PolarHBondContact O-N 3.06Å; N89-S91 WeakPolarHBondContact OD1-CB 2.94Å; N89-S91 PolarHBondContact OD1-N 2.89Å; N89-S91 PolarHBondContact OD1-OG 3.38Å; N89-S91 VanDerWaalsContact OD1-OG 3.06Å; S91-F93 PolarHBondContact O-N 3.38Å; S91-Q95 PolarHBondContact O-OE1 3.25Å
92	Y	96.8	Very high	97.1	Very high	89 Å²	89	40.6 Å²	40.6	35%	0.349	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-82.5	4.2	177.6	-77.9	-102.9	0	0	0	113.7	T59 F85 T87 N89 R90 E94 Q95 S96	T59-Y92 HydrophobicContact CG2-CD1 4.12Å; F85-Y92 HydrophobicContact CE1-CD1 4.32Å; F85-Y92 HydrophobicContact CE1-CE1 4.06Å; T87-Y92 HydrophobicContact CG2-CD1 4.4Å; T87-Y92 HydrophobicContact CG2-CD2 4.38Å; T87-Y92 HydrophobicContact CG2-CG 3.94Å; N89-Y92 HydrophobicContact CB-CD2 3.94Å; N89-Y92 HydrophobicContact CB-CE2 4.39Å; N89-Y92 WeakPolarHBondContact O-CB 3Å; N89-Y92 PolarHBondContact O-N 2.71Å; R90-Y92 PolarHBondContact O-N 2.99Å; Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 2.97Å; Y92-Q95 PolarHBondContact O-N 3.47Å; Y92-Q95 VanDerWaalsContact O-N 3.17Å; Y92-Q95 PolarHBondContact O-OE1 3.24Å; Y92-S96 WeakPolarHBondContact O-CB 3.37Å; Y92-S96 PolarHBondContact O-N 3.2Å
93	F	97.4	Very high	97.2	Very high	32 Å²	32	39.6 Å²	39.6	14%	0.14	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.6	-46.4	-176.9	178	-101	0	0	0	112	L61 W63 R90 S91 Q95 S96 V99 P112 S114 L116 Q119 Y121	L61-F93 HydrophobicContact CD2-CB 4.01Å; L61-F93 HydrophobicContact CD2-CD2 4.17Å; W63-F93 HydrophobicContact CE3-CD2 4.12Å; W63-F93 HydrophobicContact CH2-CD2 4.24Å; W63-F93 HydrophobicContact CZ3-CB 4.16Å; W63-F93 AromaticContact CZ3-CD2 3.46Å; W63-F93 HydrophobicContact CZ3-CD2 3.46Å; W63-F93 VanDerWaalsContact CZ3-CD2 3.46Å; W63-F93 HydrophobicContact CZ3-CE2 4.18Å; W63-F93 HydrophobicContact CZ3-CG 4.06Å; R90-F93 WeakPolarHBondContact O-CB 3.4Å; R90-F93 PolarHBondContact O-N 3.48Å; R90-F93 VanDerWaalsContact O-N 3.14Å; S91-F93 PolarHBondContact O-N 3.38Å; F93-Q95 VanDerWaalsContact C-N 3.31Å; F93-Q95 PolarHBondContact O-N 2.93Å; F93-S96 PolarHBondContact O-N 3.29Å; F93-S96 PolarHBondContact O-OG 3.5Å; F93-V99 HydrophobicContact CD2-CG2 3.96Å; F93-V99 HydrophobicContact CE2-CG2 3.93Å; F93-P112 HydrophobicContact CD2-CB 4.3Å; F93-P112 HydrophobicContact CD2-CG 4.35Å; F93-P112 HydrophobicContact CE2-CB 3.6Å; F93-P112 HydrophobicContact CE2-CG 3.74Å; F93-P112 HydrophobicContact CZ-CB 3.77Å; F93-P112 HydrophobicContact CZ-CG 4.38Å; F93-S114 WeakPolarHBondContact CZ-O 3.49Å; F93-L116 HydrophobicContact CE1-CD1 4.33Å; F93-L116 HydrophobicContact CE1-CG 4.12Å; F93-Q119 VanDerWaalsContact CZ-OE1 3.31Å; F93-Q119 PolarHBondContact O-NE2 3.29Å; F93-Y121 HydrophobicContact CE2-CE1 4.1Å
94	E	95	Very high	97.3	Very high	135 Å²	135	41.6 Å²	41.6	63%	0.631	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-71	-23.1	-177.5	-63.7	-170.6	163.6	0	0	113.9	Y48 Y92 L116	Y48-E94 VanDerWaalsContact CE2-O 3.26Å; Y48-E94 WeakPolarHBondContact CE2-O 3.29Å; Y92-E94 VanDerWaalsContact C-N 3.3Å; Y92-E94 PolarHBondContact O-N 2.97Å; E94-L116 HydrophobicContact CB-CD1 4.49Å
95	Q	94.2	Very high	97.4	Very high	87 Å²	87	42.8 Å²	42.8	41%	0.407	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-94.6	-11.3	177.1	-55.8	80.4	15.4	0	0	112.6	S91 Y92 F93	S91-Q95 PolarHBondContact O-OE1 3.25Å; Y92-Q95 PolarHBondContact O-N 3.47Å; Y92-Q95 VanDerWaalsContact O-N 3.17Å; Y92-Q95 PolarHBondContact O-OE1 3.24Å; F93-Q95 VanDerWaalsContact C-N 3.31Å; F93-Q95 PolarHBondContact O-N 2.93Å
96	S	96.4	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.8	-175.1	66.3	0	0	0	0	112.4	T59 Y92 F93 A98 V99 Q119	T59-S96 CarbonylContact O-C 3.48Å; T59-S96 WeakPolarHBondContact O-CA 3.49Å; Y92-S96 WeakPolarHBondContact O-CB 3.37Å; Y92-S96 PolarHBondContact O-N 3.2Å; F93-S96 PolarHBondContact O-N 3.29Å; F93-S96 PolarHBondContact O-OG 3.5Å; S96-A98 VanDerWaalsContact C-N 3.34Å; S96-V99 WeakPolarHBondContact OG-CG2 3.28Å; S96-Q119 WeakPolarHBondContact O-CG 3.49Å; S96-Q119 PolarHBondContact O-NE2 3.44Å; S96-Q119 PolarHBondContact OG-NE2 2.94Å
97	S	96.2	Very high	97.4	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-23.1	173.3	-52.2	0	0	0	0	112.1	T59 Q119 H120	T59-S97 PolarHBondContact O-N 2.87Å; S97-Q119 CarbonylContact O-C 3.57Å; S97-Q119 WeakPolarHBondContact O-CA 3.44Å; S97-H120 PolarHBondContact O-N 3.3Å
98	A	98.4	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.2	172	0	0	0	0	0	111.5	L61 S96 H120 V122 L343	L61-A98 PolarHBondContact N-O 3.2Å; S96-A98 VanDerWaalsContact C-N 3.34Å; A98-H120 CarbonylContact C-O 3.59Å; A98-H120 VanDerWaalsContact CA-O 3.25Å; A98-H120 WeakPolarHBondContact CA-O 3.38Å; A98-H120 HydrophobicContact CB-CB 4.1Å; A98-V122 HydrophobicContact CB-CG2 4.14Å; A98-L343 HydrophobicContact CB-CD1 3.62Å; A98-L343 HydrophobicContact CB-CD2 4.08Å; A98-L343 HydrophobicContact CB-CG 4.48Å
99	V	98.7	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	172.6	-173	0	0	0	0	108	L61 W63 F93 S96 F101 Q119 H120 Y121 V122	L61-V99 HydrophobicContact CB-CG2 4.37Å; L61-V99 HydrophobicContact CD2-CG1 4.42Å; L61-V99 HydrophobicContact CD2-CG2 4.33Å; L61-V99 HydrophobicContact CG-CG1 4.42Å; L61-V99 CarbonylContact O-C 3.53Å; L61-V99 VanDerWaalsContact O-CA 3.27Å; L61-V99 WeakPolarHBondContact O-CA 3.2Å; W63-V99 HydrophobicContact CB-CG1 3.73Å; W63-V99 HydrophobicContact CD2-CG1 4.29Å; W63-V99 HydrophobicContact CE3-CG1 3.86Å; W63-V99 HydrophobicContact CG-CG1 4.28Å; F93-V99 HydrophobicContact CD2-CG2 3.96Å; F93-V99 HydrophobicContact CE2-CG2 3.93Å; S96-V99 WeakPolarHBondContact OG-CG2 3.28Å; V99-F101 HydrophobicContact CB-CE2 3.86Å; V99-F101 HydrophobicContact CB-CZ 4.13Å; V99-F101 HydrophobicContact CG1-CD2 4.35Å; V99-F101 HydrophobicContact CG1-CE1 4.15Å; V99-F101 HydrophobicContact CG1-CE2 3.56Å; V99-F101 HydrophobicContact CG1-CZ 3.44Å; V99-F101 VanDerWaalsContact CG1-CZ 3.44Å; V99-F101 WeakPolarHBondContact O-CD2 3.28Å; V99-F101 WeakPolarHBondContact O-CE2 3.43Å; V99-Q119 VanDerWaalsContact CG2-CD 3.46Å; V99-Q119 HydrophobicContact CG2-CG 3.96Å; V99-H120 PolarHBondContact N-O 3.5Å; V99-Y121 HydrophobicContact CB-CD1 3.84Å; V99-Y121 HydrophobicContact CB-CE1 3.92Å; V99-Y121 HydrophobicContact CG2-CD1 4.23Å; V99-Y121 HydrophobicContact CG2-CE1 3.95Å; V99-Y121 WeakPolarHBondContact O-CA 3.36Å; V99-V122 PolarHBondContact O-N 2.99Å
100	I	98.7	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.6	-178.1	-56.6	179.6	0	0	0	109	I60 L61 M62 W63 V122 F124 M149 F336 L339	I60-I100 HydrophobicContact CG2-CD1 3.46Å; I60-I100 VanDerWaalsContact CG2-CD1 3.46Å; I60-I100 HydrophobicContact CG2-CG1 3.94Å; L61-I100 PolarHBondContact O-N 3.26Å; M62-I100 HydrophobicContact CE-CB 4.47Å; M62-I100 HydrophobicContact CE-CG2 4.12Å; M62-I100 HydrophobicContact SD-CB 3.66Å; M62-I100 HydrophobicContact SD-CD1 3.79Å; M62-I100 HydrophobicContact SD-CG1 4.25Å; M62-I100 HydrophobicContact SD-CG2 3.78Å; W63-I100 PolarHBondContact N-O 2.73Å; I100-V122 HydrophobicContact CB-CB 4.49Å; I100-V122 HydrophobicContact CG1-CB 4.08Å; I100-V122 HydrophobicContact CG1-CG2 4.24Å; I100-F124 HydrophobicContact CG2-CB 3.38Å; I100-F124 HydrophobicContact CG2-CD1 4.06Å; I100-F124 HydrophobicContact CG2-CG 3.85Å; I100-M149 HydrophobicContact CD1-SD 4.31Å; I100-F336 HydrophobicContact CD1-CE1 3.84Å; I100-F336 HydrophobicContact CD1-CZ 4.24Å; I100-L339 HydrophobicContact CD1-CD2 3.67Å; I100-L339 HydrophobicContact CG1-CD2 4.24Å
101	F	98.6	Very high	97.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.1	177	-58.6	-93.9	0	0	0	109.4	W63 F64 V99 D103 I106 L111 P112 Y121 V122 F124 F144 Y145	W63-F101 HydrophobicContact CB-CD1 3.8Å; W63-F101 HydrophobicContact CB-CE1 3.68Å; W63-F101 HydrophobicContact CB-CZ 4.32Å; W63-F101 AromaticContact CD1-CE1 3.72Å; W63-F101 HydrophobicContact CD2-CE1 4.18Å; W63-F101 AromaticContact CG-CD1 4Å; W63-F101 HydrophobicContact CG-CD1 4Å; W63-F101 AromaticContact CG-CE1 3.53Å; W63-F101 HydrophobicContact CG-CE1 3.53Å; W63-F101 HydrophobicContact CG-CZ 4.31Å; F64-F101 HydrophobicContact CD2-CD1 4.38Å; F64-F101 HydrophobicContact CE2-CD1 4.23Å; V99-F101 HydrophobicContact CB-CE2 3.86Å; V99-F101 HydrophobicContact CB-CZ 4.13Å; V99-F101 HydrophobicContact CG1-CD2 4.35Å; V99-F101 HydrophobicContact CG1-CE1 4.15Å; V99-F101 HydrophobicContact CG1-CE2 3.56Å; V99-F101 HydrophobicContact CG1-CZ 3.44Å; V99-F101 VanDerWaalsContact CG1-CZ 3.44Å; V99-F101 WeakPolarHBondContact O-CD2 3.28Å; V99-F101 WeakPolarHBondContact O-CE2 3.43Å; F101-D103 PolarHBondContact O-N 2.89Å; F101-I106 HydrophobicContact CB-CD1 3.97Å; F101-I106 HydrophobicContact CB-CG1 4.35Å; F101-L111 HydrophobicContact CD1-CD2 4.06Å; F101-L111 HydrophobicContact CE1-CD2 3.91Å; F101-P112 HydrophobicContact CE1-CG 4.24Å; F101-P112 HydrophobicContact CZ-CG 4.02Å; F101-Y121 HydrophobicContact CD2-CG 4.43Å; F101-Y121 AromaticContact CE2-CD1 3.7Å; F101-Y121 HydrophobicContact CE2-CD1 3.7Å; F101-Y121 AromaticContact CE2-CD2 3.67Å; F101-Y121 HydrophobicContact CE2-CD2 3.67Å; F101-Y121 HydrophobicContact CE2-CE1 4.1Å; F101-Y121 HydrophobicContact CE2-CE2 4.09Å; F101-Y121 AromaticContact CE2-CG 3.47Å; F101-Y121 HydrophobicContact CE2-CG 3.47Å; F101-Y121 VanDerWaalsContact CE2-CG 3.47Å; F101-Y121 HydrophobicContact CZ-CD1 4.17Å; F101-Y121 AromaticContact CZ-CD2 3.96Å; F101-Y121 HydrophobicContact CZ-CD2 3.96Å; F101-Y121 HydrophobicContact CZ-CE1 4.09Å; F101-Y121 AromaticContact CZ-CE2 3.9Å; F101-Y121 HydrophobicContact CZ-CE2 3.9Å; F101-Y121 HydrophobicContact CZ-CG 4.11Å; F101-Y121 AromaticContact CZ-CZ 3.98Å; F101-V122 PolarHBondContact N-O 3.16Å; F101-F124 PolarHBondContact O-N 3.44Å; F101-F144 HydrophobicContact CD1-CE1 4.36Å; F101-F144 HydrophobicContact CD1-CZ 4.39Å; F101-F144 HydrophobicContact CD2-CE1 4.03Å; F101-F144 HydrophobicContact CE1-CE1 4.37Å; F101-F144 HydrophobicContact CE1-CZ 4Å; F101-F144 HydrophobicContact CE2-CE1 4.04Å; F101-F144 HydrophobicContact CE2-CZ 4.14Å; F101-F144 HydrophobicContact CG-CE1 4.19Å; F101-F144 HydrophobicContact CZ-CE1 4.21Å; F101-F144 AromaticContact CZ-CZ 3.87Å; F101-F144 HydrophobicContact CZ-CZ 3.87Å; F101-Y145 HydrophobicContact CB-CE1 3.99Å; F101-Y145 HydrophobicContact CD2-CE1 4.12Å; F101-Y145 HydrophobicContact CG-CE1 4.29Å
102	H	98.2	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	108.2	169.1	177.1	-127	0	0	0	109.7	Y66 F67 R104 S105 I106 F124	Y66-H102 AromaticContact CD2-CD2 3.59Å; Y66-H102 AromaticContact CD2-CE1 3.64Å; Y66-H102 AromaticContact CD2-CG 3.85Å; Y66-H102 AromaticContact CD2-ND1 3.89Å; Y66-H102 AromaticContact CD2-NE2 3.47Å; Y66-H102 WeakPolarHBondContact CD2-NE2 3.43Å; Y66-H102 AromaticContact CE2-CD2 3.89Å; Y66-H102 AromaticContact CE2-CE1 3.95Å; Y66-H102 AromaticContact CE2-NE2 3.47Å; Y66-H102 WeakPolarHBondContact CE2-NE2 3.25Å; F67-H102 AromaticContact CD1-CE1 3.92Å; F67-H102 AromaticContact CD2-CE1 3.78Å; F67-H102 AromaticContact CE1-CE1 3.74Å; F67-H102 AromaticContact CE2-CE1 3.62Å; F67-H102 AromaticContact CE2-NE2 3.77Å; F67-H102 AromaticContact CG-CE1 3.94Å; F67-H102 AromaticContact CZ-CE1 3.6Å; F67-H102 AromaticContact CZ-NE2 3.82Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 2.76Å; H102-R104 VanDerWaalsContact O-N 3.15Å; H102-S105 WeakPolarHBondContact ND1-CB 3.37Å; H102-S105 PolarHBondContact ND1-OG 2.99Å; H102-S105 PolarHBondContact O-N 2.78Å; H102-I106 WeakPolarHBondContact O-CG1 3.47Å; H102-I106 PolarHBondContact O-N 2.97Å; H102-F124 CarbonylContact C-O 3.5Å; H102-F124 VanDerWaalsContact CA-O 3.29Å; H102-F124 WeakPolarHBondContact CA-O 3.44Å; H102-F124 HydrophobicContact CB-CD1 3.93Å; H102-F124 HydrophobicContact CB-CE1 4.5Å
103	D	98.4	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-49.6	-45.7	-169.2	172	60.8	0	0	0	113.8	F101 S105 I106 F123 F124 L125 S133	F101-D103 PolarHBondContact O-N 2.89Å; D103-S105 PolarHBondContact O-N 3.5Å; D103-I106 PolarHBondContact O-N 2.84Å; D103-F123 HydrophobicContact CB-CD2 4.32Å; D103-F123 HydrophobicContact CB-CE2 3.66Å; D103-F123 HydrophobicContact CB-CZ 4.36Å; D103-F124 PolarHBondContact N-O 3.27Å; D103-L125 HydrophobicContact CB-CB 4.22Å; D103-L125 HydrophobicContact CB-CD1 4.33Å; D103-L125 HydrophobicContact CB-CD2 4.37Å; D103-S133 VanDerWaalsContact CG-OG 3.28Å; D103-S133 WeakPolarHBondContact O-CB 3.15Å; D103-S133 PolarHBondContact OD1-OG 2.99Å; D103-S133 WeakPolarHBondContact OD2-CB 3.4Å; D103-S133 PolarHBondContact OD2-N 3.06Å; D103-S133 PolarHBondContact OD2-OG 2.99Å
104	R	97.7	Very high	96.8	Very high	117 Å²	117	52.1 Å²	52.1	44%	0.442	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-74.7	-10	-178	-66.6	-173.2	71.2	-178.6	-2.3	114.7	F67 H102 L125 Y131	F67-R104 HydrophobicContact CE1-CB 4.09Å; F67-R104 HydrophobicContact CZ-CB 4.45Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 2.76Å; H102-R104 VanDerWaalsContact O-N 3.15Å; R104-L125 HydrophobicContact CG-CD1 3.82Å; R104-Y131 VanDerWaalsContact CD-O 3.22Å; R104-Y131 WeakPolarHBondContact CD-O 3.21Å
105	S	97.8	Very high	96.8	Very high	29 Å²	29	49.5 Å²	49.5	20%	0.203	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-102.2	0.5	176.3	-65.8	0	0	0	0	112.8	F64 G65 H102 D103 V107	F64-S105 WeakPolarHBondContact CD1-O 3.36Å; F64-S105 WeakPolarHBondContact CG-O 3.14Å; G65-S105 WeakPolarHBondContact O-CB 3.43Å; G65-S105 PolarHBondContact O-OG 3.05Å; G65-S105 VanDerWaalsContact O-OG 3.13Å; H102-S105 WeakPolarHBondContact ND1-CB 3.37Å; H102-S105 PolarHBondContact ND1-OG 2.99Å; H102-S105 PolarHBondContact O-N 2.78Å; D103-S105 PolarHBondContact O-N 3.5Å; S105-V107 PolarHBondContact O-N 3.05Å
106	I	97.9	Very high	96.8	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.077	24%	0.236	C	C	.	.			trans	-70	122	-175.8	-63.8	176.7	0	0	0	111.7	F64 F101 H102 D103 L108 L111 P136 L140 Y145	F64-I106 HydrophobicContact CD2-CB 4.44Å; F64-I106 HydrophobicContact CD2-CG1 3.98Å; F64-I106 HydrophobicContact CE2-CB 3.98Å; F64-I106 HydrophobicContact CE2-CG1 3.84Å; F64-I106 HydrophobicContact CE2-CG2 4.01Å; F64-I106 HydrophobicContact CZ-CG2 4.44Å; F101-I106 HydrophobicContact CB-CD1 3.97Å; F101-I106 HydrophobicContact CB-CG1 4.35Å; H102-I106 WeakPolarHBondContact O-CG1 3.47Å; H102-I106 PolarHBondContact O-N 2.97Å; D103-I106 PolarHBondContact O-N 2.84Å; I106-L108 HydrophobicContact CG2-CD2 4.3Å; I106-L111 HydrophobicContact CG2-CD2 3.93Å; I106-P136 HydrophobicContact CB-CB 3.83Å; I106-P136 HydrophobicContact CB-CG 3.98Å; I106-P136 HydrophobicContact CD1-CB 4.26Å; I106-P136 HydrophobicContact CG2-CB 3.76Å; I106-P136 HydrophobicContact CG2-CG 4.04Å; I106-L140 HydrophobicContact CD1-CD1 3.83Å; I106-L140 HydrophobicContact CG2-CD1 4.14Å; I106-Y145 WeakPolarHBondContact CD1-OH 3.43Å
107	V	97.5	Very high	96.6	Very high	62 Å²	62	50.4 Å²	50.4	38%	0.376	26%	0.257	S	S	.	.			trans	-100.3	111.1	162.4	-176.5	0	0	0	0	108.4	F64 S105 S109 E110	F64-V107 HydrophobicContact CE1-CB 4.14Å; F64-V107 HydrophobicContact CE1-CG2 4.38Å; F64-V107 HydrophobicContact CZ-CB 4.3Å; F64-V107 VanDerWaalsContact CZ-N 3.32Å; S105-V107 PolarHBondContact O-N 3.05Å; V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 WeakPolarHBondContact CG1-OG 3.34Å; V107-S109 PolarHBondContact O-N 2.89Å; V107-E110 HydrophobicContact CB-CB 4.23Å; V107-E110 HydrophobicContact CB-CG 4.11Å; V107-E110 HydrophobicContact CG1-CB 4.44Å; V107-E110 HydrophobicContact CG1-CG 3.93Å; V107-E110 PolarHBondContact O-N 3.48Å
108	L	97.7	Very high	96.3	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.267	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59	-31.5	-171.6	-75.7	173.6	0	0	0	114.4	I106 E110 L111 K135 P136 K139 L140	I106-L108 HydrophobicContact CG2-CD2 4.3Å; L108-E110 VanDerWaalsContact C-N 3.26Å; L108-E110 PolarHBondContact O-N 3.26Å; L108-L111 HydrophobicContact CD2-CD1 3.92Å; L108-K135 HydrophobicContact CD1-CB 4.39Å; L108-P136 HydrophobicContact CD2-CB 4.15Å; L108-P136 HydrophobicContact CD2-CG 4.48Å; L108-P136 HydrophobicContact CG-CB 4.49Å; L108-P136 HydrophobicContact CG-CG 4.28Å; L108-K139 HydrophobicContact CD1-CD 3.77Å; L108-K139 HydrophobicContact CD2-CD 3.95Å; L108-K139 HydrophobicContact CG-CD 4.48Å; L108-L140 HydrophobicContact CD2-CD1 4.11Å; L108-L140 HydrophobicContact CD2-CD2 4.28Å; L108-L140 HydrophobicContact CD2-CG 4.18Å
109	S	96.9	Very high	96.1	Very high	111 Å²	111	51.5 Å²	51.5	78%	0.776	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-75.8	-13.3	178	49.8	0	0	0	0	113.5	V107	V107-S109 VanDerWaalsContact C-N 3.25Å; V107-S109 WeakPolarHBondContact CG1-OG 3.34Å; V107-S109 PolarHBondContact O-N 2.89Å
110	E	97	Very high	96.1	Very high	80 Å²	80	51.8 Å²	51.8	37%	0.374	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-103	8.6	-179	-65.7	-173.8	-143.1	0	0	113.2	W63 F64 R90 V107 L108	W63-E110 WeakPolarHBondContact CZ2-O 3.31Å; W63-E110 PolarHBondContact NE1-O 3.37Å; F64-E110 HydrophobicContact CE1-CB 4.17Å; F64-E110 HydrophobicContact CZ-CB 4.2Å; R90-E110 IonicContact CZ-OE2 3.37Å; R90-E110 IonicContact NH1-OE2 3.01Å; R90-E110 PolarHBondContact NH1-OE2 3.19Å; R90-E110 IonicContact NH2-OE2 2.78Å; R90-E110 PolarHBondContact NH2-OE2 3.27Å; V107-E110 HydrophobicContact CB-CB 4.23Å; V107-E110 HydrophobicContact CB-CG 4.11Å; V107-E110 HydrophobicContact CG1-CB 4.44Å; V107-E110 HydrophobicContact CG1-CG 3.93Å; V107-E110 PolarHBondContact O-N 3.48Å; L108-E110 VanDerWaalsContact C-N 3.26Å; L108-E110 PolarHBondContact O-N 3.26Å
111	L	97.6	Very high	96.1	Very high	36 Å²	36	52 Å²	52	19%	0.188	27%	0.272	C	S	.	.	S	Bend	trans	-66.9	148.9	177.9	-67	175.7	0	0	0	111.1	F64 F101 I106 L108 L140 F144	F64-L111 HydrophobicContact CE2-CD2 4.19Å; F101-L111 HydrophobicContact CD1-CD2 4.06Å; F101-L111 HydrophobicContact CE1-CD2 3.91Å; I106-L111 HydrophobicContact CG2-CD2 3.93Å; L108-L111 HydrophobicContact CD2-CD1 3.92Å; L111-L140 HydrophobicContact CD1-CD1 3.96Å; L111-L140 HydrophobicContact CD1-CD2 3.81Å; L111-L140 HydrophobicContact CD1-CG 4.5Å; L111-F144 HydrophobicContact CD1-CE2 4.33Å; L111-F144 HydrophobicContact CD1-CZ 4.36Å; L111-F144 HydrophobicContact CD2-CZ 4Å
112	P	96	Very high	96.1	Very high	17 Å²	17	52 Å²	52	11%	0.11	27%	0.272	C	S	.	.			trans	-61.5	146.7	171.2	-3.3	14.7	0	0	0	110	W63 F93 F101 S114 Y121	W63-P112 HydrophobicContact CD2-CG 3.8Å; W63-P112 VanDerWaalsContact CE2-CD 3.47Å; W63-P112 HydrophobicContact CE3-CG 3.84Å; W63-P112 HydrophobicContact CH2-CB 3.79Å; W63-P112 HydrophobicContact CH2-CG 3.56Å; W63-P112 HydrophobicContact CZ2-CB 3.96Å; W63-P112 HydrophobicContact CZ2-CG 3.5Å; W63-P112 VanDerWaalsContact CZ2-CG 3.5Å; W63-P112 HydrophobicContact CZ3-CB 4.25Å; W63-P112 HydrophobicContact CZ3-CG 3.74Å; F93-P112 HydrophobicContact CD2-CB 4.3Å; F93-P112 HydrophobicContact CD2-CG 4.35Å; F93-P112 HydrophobicContact CE2-CB 3.6Å; F93-P112 HydrophobicContact CE2-CG 3.74Å; F93-P112 HydrophobicContact CZ-CB 3.77Å; F93-P112 HydrophobicContact CZ-CG 4.38Å; F101-P112 HydrophobicContact CE1-CG 4.24Å; F101-P112 HydrophobicContact CZ-CG 4.02Å; P112-S114 PolarHBondContact O-N 2.01Å; P112-Y121 WeakPolarHBondContact CB-OH 3.35Å; P112-Y121 VanDerWaalsContact CG-OH 3.31Å; P112-Y121 WeakPolarHBondContact CG-OH 3.21Å
113	R	92	Very high	96.1	Very high	260 Å²	260	52 Å²	52	98%	0.981	27%	0.272	S	S	*	.	S	Bend	trans	-60.1	-42.6	-176.3	-67.3	-177.5	-178.6	173.3	0.6	112.8
114	S	92.5	Very high	96.1	Very high	83 Å²	83	52 Å²	52	58%	0.58	27%	0.273	S	S	*	.	S	Bend	trans	-155.1	148.5	178.8	54.8	0	0	0	0	110.8	F93 P112 Y121	F93-S114 WeakPolarHBondContact CZ-O 3.49Å; P112-S114 PolarHBondContact O-N 2.01Å; S114-Y121 PolarHBondContact O-OH 2.89Å
115	R	95.2	Very high	96.1	Very high	79 Å²	79	46.4 Å²	46.4	30%	0.298	25%	0.252	S	S	.	.			trans	-76.3	137.3	173.6	-175.8	178.7	69.5	71.7	-0.1	109.9	P117 Q119 Y121	R115-P117 PolarHBondContact NH1-O 3.34Å; R115-Q119 WeakPolarHBondContact CD-O 3.36Å; R115-Q119 HydrophobicContact CG-CB 4.42Å; R115-Q119 VanDerWaalsContact CG-O 3.3Å; R115-Q119 WeakPolarHBondContact CG-O 3.45Å; R115-Q119 PolarHBondContact NH1-O 2.86Å; R115-Y121 WeakPolarHBondContact CA-OH 3.46Å; R115-Y121 HydrophobicContact CB-CD1 4.1Å; R115-Y121 HydrophobicContact CB-CD2 4.15Å; R115-Y121 HydrophobicContact CB-CE1 3.74Å; R115-Y121 HydrophobicContact CB-CE2 3.78Å; R115-Y121 HydrophobicContact CB-CG 4.3Å; R115-Y121 HydrophobicContact CG-CD1 3.57Å; R115-Y121 HydrophobicContact CG-CD2 4.34Å; R115-Y121 HydrophobicContact CG-CE1 3.56Å; R115-Y121 HydrophobicContact CG-CE2 4.32Å; R115-Y121 HydrophobicContact CG-CG 3.97Å; R115-Y121 PolarHBondContact N-OH 3.13Å
116	L	94.2	Very high	96.1	Very high	39 Å²	39	45.1 Å²	45.1	20%	0.204	24%	0.242	C	C	.	.			trans	-72.1	146.8	173.9	-60.7	176.8	0	0	0	111.1	Y48 F93 E94 G118 Q119	Y48-L116 HydrophobicContact CD2-CD1 4.09Å; Y48-L116 HydrophobicContact CE2-CB 4.38Å; Y48-L116 HydrophobicContact CE2-CD1 3.66Å; F93-L116 HydrophobicContact CE1-CD1 4.33Å; F93-L116 HydrophobicContact CE1-CG 4.12Å; E94-L116 HydrophobicContact CB-CD1 4.49Å; L116-G118 VanDerWaalsContact C-N 3.3Å; L116-G118 PolarHBondContact O-N 3.34Å; L116-Q119 HydrophobicContact CB-CB 3.91Å; L116-Q119 WeakPolarHBondContact O-CB 3.48Å; L116-Q119 PolarHBondContact O-N 2.89Å
117	P	90.4	Very high	96	Very high	67 Å²	67	46.6 Å²	46.6	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.8	-172.5	-33.1	41.9	0	0	0	115.1	D45 R115 V353	D45-P117 WeakPolarHBondContact OD1-CG 3.39Å; R115-P117 PolarHBondContact NH1-O 3.34Å; P117-V353 WeakPolarHBondContact O-CB 3.35Å
118	G	90.4	Very high	96	Very high	36 Å²	36	43.7 Å²	43.7	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.7	177	0	0	0	0	0	115.1	Y48 L116	Y48-G118 PolarHBondContact OH-O 3.16Å; L116-G118 VanDerWaalsContact C-N 3.3Å; L116-G118 PolarHBondContact O-N 3.34Å
119	Q	95	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.			trans	-113.6	133.6	-177.9	176.3	-178.6	75.9	0	0	111	F93 S96 S97 V99 R115 L116	F93-Q119 VanDerWaalsContact CZ-OE1 3.31Å; F93-Q119 PolarHBondContact O-NE2 3.29Å; S96-Q119 WeakPolarHBondContact O-CG 3.49Å; S96-Q119 PolarHBondContact O-NE2 3.44Å; S96-Q119 PolarHBondContact OG-NE2 2.94Å; S97-Q119 CarbonylContact O-C 3.57Å; S97-Q119 WeakPolarHBondContact O-CA 3.44Å; V99-Q119 VanDerWaalsContact CG2-CD 3.46Å; V99-Q119 HydrophobicContact CG2-CG 3.96Å; R115-Q119 WeakPolarHBondContact CD-O 3.36Å; R115-Q119 HydrophobicContact CG-CB 4.42Å; R115-Q119 VanDerWaalsContact CG-O 3.3Å; R115-Q119 WeakPolarHBondContact CG-O 3.45Å; R115-Q119 PolarHBondContact NH1-O 2.86Å; L116-Q119 HydrophobicContact CB-CB 3.91Å; L116-Q119 WeakPolarHBondContact O-CB 3.48Å; L116-Q119 PolarHBondContact O-N 2.89Å
120	H	97.9	Very high	96	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.023	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.2	173.6	-81.2	-76.3	0	0	0	112.4	S97 A98 V99 V122 T146 L147 L343 M346	S97-H120 PolarHBondContact O-N 3.3Å; A98-H120 CarbonylContact C-O 3.59Å; A98-H120 VanDerWaalsContact CA-O 3.25Å; A98-H120 WeakPolarHBondContact CA-O 3.38Å; A98-H120 HydrophobicContact CB-CB 4.1Å; V99-H120 PolarHBondContact N-O 3.5Å; H120-V122 HydrophobicContact CB-CG2 4.34Å; H120-T146 WeakPolarHBondContact CA-OG1 3.36Å; H120-T146 PolarHBondContact ND1-OG1 2.62Å; H120-L147 HydrophobicContact CB-CD1 3.98Å; H120-L147 HydrophobicContact CB-CG 4.44Å; H120-L147 WeakPolarHBondContact ND1-CG 3.23Å; H120-L343 HydrophobicContact CB-CD2 4.47Å; H120-M346 WeakPolarHBondContact NE2-CE 3.38Å; H120-M346 PolarHBondContact NE2-SD 2.88Å
121	Y	98.6	Very high	96	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.7	159.7	-78.8	8.4	0	0	0	109	F93 V99 F101 P112 S114 R115 F144 T146 L147	F93-Y121 HydrophobicContact CE2-CE1 4.1Å; V99-Y121 HydrophobicContact CB-CD1 3.84Å; V99-Y121 HydrophobicContact CB-CE1 3.92Å; V99-Y121 HydrophobicContact CG2-CD1 4.23Å; V99-Y121 HydrophobicContact CG2-CE1 3.95Å; V99-Y121 WeakPolarHBondContact O-CA 3.36Å; F101-Y121 HydrophobicContact CD2-CG 4.43Å; F101-Y121 AromaticContact CE2-CD1 3.7Å; F101-Y121 HydrophobicContact CE2-CD1 3.7Å; F101-Y121 AromaticContact CE2-CD2 3.67Å; F101-Y121 HydrophobicContact CE2-CD2 3.67Å; F101-Y121 HydrophobicContact CE2-CE1 4.1Å; F101-Y121 HydrophobicContact CE2-CE2 4.09Å; F101-Y121 AromaticContact CE2-CG 3.47Å; F101-Y121 HydrophobicContact CE2-CG 3.47Å; F101-Y121 VanDerWaalsContact CE2-CG 3.47Å; F101-Y121 HydrophobicContact CZ-CD1 4.17Å; F101-Y121 AromaticContact CZ-CD2 3.96Å; F101-Y121 HydrophobicContact CZ-CD2 3.96Å; F101-Y121 HydrophobicContact CZ-CE1 4.09Å; F101-Y121 AromaticContact CZ-CE2 3.9Å; F101-Y121 HydrophobicContact CZ-CE2 3.9Å; F101-Y121 HydrophobicContact CZ-CG 4.11Å; F101-Y121 AromaticContact CZ-CZ 3.98Å; P112-Y121 WeakPolarHBondContact CB-OH 3.35Å; P112-Y121 VanDerWaalsContact CG-OH 3.31Å; P112-Y121 WeakPolarHBondContact CG-OH 3.21Å; S114-Y121 PolarHBondContact O-OH 2.89Å; R115-Y121 WeakPolarHBondContact CA-OH 3.46Å; R115-Y121 HydrophobicContact CB-CD1 4.1Å; R115-Y121 HydrophobicContact CB-CD2 4.15Å; R115-Y121 HydrophobicContact CB-CE1 3.74Å; R115-Y121 HydrophobicContact CB-CE2 3.78Å; R115-Y121 HydrophobicContact CB-CG 4.3Å; R115-Y121 HydrophobicContact CG-CD1 3.57Å; R115-Y121 HydrophobicContact CG-CD2 4.34Å; R115-Y121 HydrophobicContact CG-CE1 3.56Å; R115-Y121 HydrophobicContact CG-CE2 4.32Å; R115-Y121 HydrophobicContact CG-CG 3.97Å; R115-Y121 PolarHBondContact N-OH 3.13Å; Y121-F144 WeakPolarHBondContact CB-O 3.31Å; Y121-F144 HydrophobicContact CD2-CD1 4.22Å; Y121-F144 HydrophobicContact CD2-CD2 4.17Å; Y121-F144 AromaticContact CD2-CE1 3.82Å; Y121-F144 HydrophobicContact CD2-CE1 3.82Å; Y121-F144 AromaticContact CD2-CE2 3.77Å; Y121-F144 HydrophobicContact CD2-CE2 3.77Å; Y121-F144 HydrophobicContact CD2-CG 4.38Å; Y121-F144 AromaticContact CD2-CZ 3.58Å; Y121-F144 HydrophobicContact CD2-CZ 3.58Å; Y121-F144 HydrophobicContact CE2-CD2 4.33Å; Y121-F144 HydrophobicContact CE2-CE1 4.38Å; Y121-F144 AromaticContact CE2-CE2 3.64Å; Y121-F144 HydrophobicContact CE2-CE2 3.64Å; Y121-F144 AromaticContact CE2-CZ 3.67Å; Y121-F144 HydrophobicContact CE2-CZ 3.67Å; Y121-T146 PolarHBondContact N-OG1 3.18Å; Y121-T146 PolarHBondContact O-N 2.89Å; Y121-T146 PolarHBondContact O-OG1 3.3Å; Y121-L147 PolarHBondContact O-N 3.02Å; Y121-L147 VanDerWaalsContact O-N 3.13Å
122	V	98.8	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.7	-173.4	-170.3	0	0	0	0	109.5	A98 V99 I100 F101 H120 F124 L147 M149 L339	A98-V122 HydrophobicContact CB-CG2 4.14Å; V99-V122 PolarHBondContact O-N 2.99Å; I100-V122 HydrophobicContact CB-CB 4.49Å; I100-V122 HydrophobicContact CG1-CB 4.08Å; I100-V122 HydrophobicContact CG1-CG2 4.24Å; F101-V122 PolarHBondContact N-O 3.16Å; H120-V122 HydrophobicContact CB-CG2 4.34Å; V122-F124 PolarHBondContact O-N 2.77Å; V122-L147 WeakPolarHBondContact CA-O 3.41Å; V122-L147 HydrophobicContact CG1-CB 4.26Å; V122-L147 HydrophobicContact CG2-CB 4.24Å; V122-L147 HydrophobicContact CG2-CD1 4.49Å; V122-M149 HydrophobicContact CG1-CB 3.61Å; V122-L339 HydrophobicContact CG2-CD1 4.46Å
123	F	98.7	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121	168.7	169.7	-100.8	0	0	0	109.2	D103 L125 Y137 Y145 L147 T148 M149 I362 W365 Y366	D103-F123 HydrophobicContact CB-CD2 4.32Å; D103-F123 HydrophobicContact CB-CE2 3.66Å; D103-F123 HydrophobicContact CB-CZ 4.36Å; F123-L125 HydrophobicContact CE1-CB 4.05Å; F123-L125 HydrophobicContact CE2-CB 4.41Å; F123-L125 HydrophobicContact CZ-CB 3.75Å; F123-L125 HydrophobicContact CZ-CD2 4.07Å; F123-Y137 HydrophobicContact CE2-CD2 4.05Å; F123-Y137 HydrophobicContact CE2-CE2 4.22Å; F123-Y137 HydrophobicContact CZ-CD2 4.34Å; F123-Y137 HydrophobicContact CZ-CE2 4.12Å; F123-Y145 HydrophobicContact CB-CD1 3.66Å; F123-Y145 HydrophobicContact CB-CD2 4.09Å; F123-Y145 HydrophobicContact CB-CE1 3.91Å; F123-Y145 HydrophobicContact CB-CE2 4.28Å; F123-Y145 HydrophobicContact CB-CG 3.74Å; F123-Y145 HydrophobicContact CD2-CD2 4.49Å; F123-Y145 HydrophobicContact CD2-CE1 4.4Å; F123-Y145 AromaticContact CD2-CE2 3.97Å; F123-Y145 HydrophobicContact CD2-CE2 3.97Å; F123-Y145 AromaticContact CD2-CZ 3.92Å; F123-Y145 VanDerWaalsContact N-CD1 3.35Å; F123-L147 PolarHBondContact N-O 3.13Å; F123-T148 HydrophobicContact CD1-CG2 4.45Å; F123-M149 PolarHBondContact O-N 2.95Å; F123-I362 HydrophobicContact CB-CD1 3.26Å; F123-I362 HydrophobicContact CD1-CD1 3.93Å; F123-I362 HydrophobicContact CD1-CG2 4.07Å; F123-I362 HydrophobicContact CD2-CD1 3.76Å; F123-I362 HydrophobicContact CD2-CG2 4.28Å; F123-I362 HydrophobicContact CE1-CG2 3.93Å; F123-I362 HydrophobicContact CE2-CG2 4.14Å; F123-I362 HydrophobicContact CG-CD1 3.38Å; F123-I362 HydrophobicContact CG-CG2 4.24Å; F123-I362 HydrophobicContact CZ-CG2 3.97Å; F123-W365 HydrophobicContact CD1-CZ3 4.4Å; F123-W365 HydrophobicContact CE1-CZ3 4.42Å; F123-Y366 HydrophobicContact CE1-CD1 4.48Å; F123-Y366 HydrophobicContact CZ-CD1 4.41Å
124	F	98.5	Very high	96.3	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.7	-179.3	174.4	-120.7	0	0	0	111.3	M62 Y66 F71 I100 F101 H102 D103 V122 M126 M149 M159	M62-F124 HydrophobicContact CE-CD1 4.36Å; Y66-F124 AromaticContact CD2-CE1 3.79Å; Y66-F124 HydrophobicContact CD2-CE1 3.79Å; Y66-F124 HydrophobicContact CD2-CZ 4.33Å; Y66-F124 HydrophobicContact CE2-CE1 4.27Å; Y66-F124 HydrophobicContact CE2-CZ 4.42Å; Y66-F124 HydrophobicContact CG-CE1 4.1Å; F71-F124 AromaticContact CE2-CE1 3.87Å; F71-F124 HydrophobicContact CE2-CE1 3.87Å; F71-F124 HydrophobicContact CE2-CZ 4.12Å; F71-F124 HydrophobicContact CZ-CE1 4.29Å; F71-F124 HydrophobicContact CZ-CZ 4.15Å; I100-F124 HydrophobicContact CG2-CB 3.38Å; I100-F124 HydrophobicContact CG2-CD1 4.06Å; I100-F124 HydrophobicContact CG2-CG 3.85Å; F101-F124 PolarHBondContact O-N 3.44Å; H102-F124 CarbonylContact C-O 3.5Å; H102-F124 VanDerWaalsContact CA-O 3.29Å; H102-F124 WeakPolarHBondContact CA-O 3.44Å; H102-F124 HydrophobicContact CB-CD1 3.93Å; H102-F124 HydrophobicContact CB-CE1 4.5Å; D103-F124 PolarHBondContact N-O 3.27Å; V122-F124 PolarHBondContact O-N 2.77Å; F124-M126 HydrophobicContact CE2-CG 3.72Å; F124-M126 HydrophobicContact CE2-SD 4.23Å; F124-M126 HydrophobicContact CZ-CG 3.85Å; F124-M149 WeakPolarHBondContact CA-O 3.39Å; F124-M149 HydrophobicContact CD2-CB 4.31Å; F124-M149 HydrophobicContact CD2-CG 4.03Å; F124-M149 WeakPolarHBondContact CD2-O 3.42Å; F124-M149 HydrophobicContact CD2-SD 4.41Å; F124-M159 HydrophobicContact CE2-CE 3.36Å; F124-M159 HydrophobicContact CE2-SD 4.45Å; F124-M159 HydrophobicContact CZ-CE 3.71Å
125	L	97.9	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.			trans	-158.7	117.4	175.4	-178	62.6	0	0	0	110.5	D103 R104 F123 E127 T132 M149 N150 Y366	D103-L125 HydrophobicContact CB-CB 4.22Å; D103-L125 HydrophobicContact CB-CD1 4.33Å; D103-L125 HydrophobicContact CB-CD2 4.37Å; R104-L125 HydrophobicContact CG-CD1 3.82Å; F123-L125 HydrophobicContact CE1-CB 4.05Å; F123-L125 HydrophobicContact CE2-CB 4.41Å; F123-L125 HydrophobicContact CZ-CB 3.75Å; F123-L125 HydrophobicContact CZ-CD2 4.07Å; L125-E127 HydrophobicContact CD1-CB 3.96Å; L125-E127 HydrophobicContact CG-CB 4.21Å; L125-T132 HydrophobicContact CD2-CG2 3.67Å; L125-M149 PolarHBondContact N-O 3.47Å; L125-N150 WeakPolarHBondContact O-CB 3.43Å; L125-Y366 HydrophobicContact CD2-CE1 4.05Å
126	M	96.5	Very high	96.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.			trans	-86.2	-14.8	176.5	-71.9	-59.7	-73.8	0	0	113.8	F124 Y151 M159 F161	F124-M126 HydrophobicContact CE2-CG 3.72Å; F124-M126 HydrophobicContact CE2-SD 4.23Å; F124-M126 HydrophobicContact CZ-CG 3.85Å; M126-Y151 WeakPolarHBondContact O-CD1 3.12Å; M126-M159 HydrophobicContact CE-CE 3.89Å; M126-M159 WeakPolarHBondContact CE-O 3.44Å; M126-M159 HydrophobicContact CG-CE 3.56Å; M126-M159 HydrophobicContact SD-CB 4.33Å; M126-M159 HydrophobicContact SD-CE 3.29Å; M126-M159 WeakPolarHBondContact SD-CE 3.31Å; M126-F161 HydrophobicContact CB-CE1 4.27Å; M126-F161 HydrophobicContact CB-CZ 3.91Å; M126-F161 HydrophobicContact CE-CD1 3.8Å; M126-F161 HydrophobicContact CE-CD2 3.97Å; M126-F161 HydrophobicContact CE-CE1 3.63Å; M126-F161 HydrophobicContact CE-CE2 3.81Å; M126-F161 HydrophobicContact CE-CG 3.98Å; M126-F161 HydrophobicContact CE-CZ 3.66Å; M126-F161 WeakPolarHBondContact O-CE2 3.45Å; M126-F161 WeakPolarHBondContact O-CZ 3.41Å
127	E	97	Very high	96.8	Very high	47 Å²	47	29.8 Å²	29.8	22%	0.22	16%	0.164	C	C	.	.	S	Bend	trans	-79.1	156.5	174.9	-69.9	-73.3	-176.8	0	0	112.4	L125 Y366	L125-E127 HydrophobicContact CD1-CB 3.96Å; L125-E127 HydrophobicContact CG-CB 4.21Å; E127-Y366 PolarHBondContact O-OH 2.68Å
128	S	97.6	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.			trans	-64.5	166.2	179.8	89.3	0	0	0	0	113.2	H130 Y131 S250	S128-H130 PolarHBondContact O-N 3.24Å; S128-H130 PolarHBondContact OG-N 3.43Å; S128-Y131 PolarHBondContact O-N 3.28Å; S128-Y131 WeakPolarHBondContact OG-CD2 3.44Å; S128-S250 VanDerWaalsContact OG-CB 3.22Å; S128-S250 WeakPolarHBondContact OG-CB 3.48Å; S128-S250 PolarHBondContact OG-OG 2.95Å
129	P	97.7	Very high	97.4	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.032	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-51.4	-26.6	174.4	-31.2	37.1	0	0	0	115.2	Y131 T132 Y151 Y366 V368	P129-Y131 PolarHBondContact O-N 3.28Å; P129-T132 PolarHBondContact O-OG1 3.08Å; P129-T132 VanDerWaalsContact O-OG1 3.14Å; P129-Y151 WeakPolarHBondContact CD-OH 3.11Å; P129-Y366 HydrophobicContact CB-CD1 4.15Å; P129-Y366 HydrophobicContact CB-CE1 4.17Å; P129-Y366 HydrophobicContact CG-CD1 3.85Å; P129-Y366 HydrophobicContact CG-CD2 4.24Å; P129-Y366 HydrophobicContact CG-CE1 3.71Å; P129-Y366 HydrophobicContact CG-CE2 4.08Å; P129-Y366 HydrophobicContact CG-CG 4.12Å; P129-V368 HydrophobicContact CB-CB 4.49Å; P129-V368 HydrophobicContact CB-CG2 3.61Å
130	H	97.4	Very high	97.6	Very high	51 Å²	51	40.7 Å²	40.7	24%	0.236	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-67.4	-20.1	177.2	-71	-75.5	0	0	0	113.9	S128 S200 S250 V368 C372	S128-H130 PolarHBondContact O-N 3.24Å; S128-H130 PolarHBondContact OG-N 3.43Å; H130-S200 PolarHBondContact CE1-OG 3.23Å; H130-S200 PolarHBondContact ND1-OG 2.85Å; H130-S200 VanDerWaalsContact ND1-OG 3.08Å; H130-S200 PolarHBondContact NE2-OG 2.9Å; H130-S250 PolarHBondContact CD2-OG 3.48Å; H130-V368 WeakPolarHBondContact CE1-CG1 3.46Å; H130-C372 WeakPolarHBondContact NE2-CB 3.49Å
131	Y	97	Very high	97.5	Very high	49 Å²	49	41 Å²	41	19%	0.192	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-118	28.1	-173.1	-61.8	-78.6	0	0	0	111.7	R104 S128 P129 N196 N249 S250	R104-Y131 VanDerWaalsContact CD-O 3.22Å; R104-Y131 WeakPolarHBondContact CD-O 3.21Å; S128-Y131 PolarHBondContact O-N 3.28Å; S128-Y131 WeakPolarHBondContact OG-CD2 3.44Å; P129-Y131 PolarHBondContact O-N 3.28Å; Y131-N196 PolarHBondContact OH-ND2 3.1Å; Y131-N249 HydrophobicContact CE2-CB 4.28Å; Y131-N249 VanDerWaalsContact CE2-CG 3.43Å; Y131-N249 VanDerWaalsContact CE2-ND2 3.26Å; Y131-N249 WeakPolarHBondContact CE2-ND2 3.48Å; Y131-N249 PolarHBondContact OH-O 3.44Å; Y131-S250 WeakPolarHBondContact CE2-OG 3.35Å
132	T	97.7	Very high	97.4	Very high	31 Å²	31	45.8 Å²	45.8	19%	0.19	21%	0.214	C	C	.	.			trans	-68.2	154.5	168.2	50.8	0	0	0	0	110.9	L125 P129 Y137 Y366	L125-T132 HydrophobicContact CD2-CG2 3.67Å; P129-T132 PolarHBondContact O-OG1 3.08Å; P129-T132 VanDerWaalsContact O-OG1 3.14Å; T132-Y137 HydrophobicContact CG2-CD1 4.15Å; T132-Y137 HydrophobicContact CG2-CD2 3.75Å; T132-Y137 HydrophobicContact CG2-CE1 4.01Å; T132-Y137 HydrophobicContact CG2-CE2 3.6Å; T132-Y137 HydrophobicContact CG2-CG 4.04Å; T132-Y366 HydrophobicContact CG2-CD1 3.97Å; T132-Y366 HydrophobicContact CG2-CE1 4.1Å
133	S	97.6	Very high	97.2	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	26%	0.255	C	S	.	.			trans	-64.8	140.8	176.5	73.7	0	0	0	0	110.8	D103 P136 Y137	D103-S133 VanDerWaalsContact CG-OG 3.28Å; D103-S133 WeakPolarHBondContact O-CB 3.15Å; D103-S133 PolarHBondContact OD1-OG 2.99Å; D103-S133 WeakPolarHBondContact OD2-CB 3.4Å; D103-S133 PolarHBondContact OD2-N 3.06Å; D103-S133 PolarHBondContact OD2-OG 2.99Å; S133-P136 WeakPolarHBondContact OG-CB 3.45Å; S133-P136 VanDerWaalsContact OG-CD 3.3Å; S133-P136 WeakPolarHBondContact OG-CD 3.03Å; S133-Y137 WeakPolarHBondContact O-CB 3.13Å; S133-Y137 PolarHBondContact OG-N 3.2Å
134	V	95.1	Very high	97.1	Very high	131 Å²	131	56.2 Å²	56.2	79%	0.794	26%	0.262	S	S	*	.	S	Bend	trans	-69.4	-48.3	-172.6	179	0	0	0	0	112.4
135	K	97.5	Very high	97.1	Very high	147 Å²	147	56.4 Å²	56.4	64%	0.639	26%	0.262	S	S	*	.	S	Bend	trans	-93.2	-52	-176	-64.9	-179.8	-178.7	177.4	0	113	L108 R138 K139	L108-K135 HydrophobicContact CD1-CB 4.39Å; K135-R138 PolarHBondContact O-N 2.91Å; K135-K139 WeakPolarHBondContact O-CB 3.3Å; K135-K139 PolarHBondContact O-N 3.41Å; K135-K139 VanDerWaalsContact O-N 3.07Å
136	P	97.9	Very high	97.1	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-45.4	-177.5	-20.1	29.5	0	0	0	113.6	I106 L108 S133 R138 K139 L140	I106-P136 HydrophobicContact CB-CB 3.83Å; I106-P136 HydrophobicContact CB-CG 3.98Å; I106-P136 HydrophobicContact CD1-CB 4.26Å; I106-P136 HydrophobicContact CG2-CB 3.76Å; I106-P136 HydrophobicContact CG2-CG 4.04Å; L108-P136 HydrophobicContact CD2-CB 4.15Å; L108-P136 HydrophobicContact CD2-CG 4.48Å; L108-P136 HydrophobicContact CG-CB 4.49Å; L108-P136 HydrophobicContact CG-CG 4.28Å; S133-P136 WeakPolarHBondContact OG-CB 3.45Å; S133-P136 VanDerWaalsContact OG-CD 3.3Å; S133-P136 WeakPolarHBondContact OG-CD 3.03Å; P136-R138 VanDerWaalsContact C-N 3.32Å; P136-R138 PolarHBondContact O-N 3.25Å; P136-K139 PolarHBondContact O-N 2.92Å; P136-K139 VanDerWaalsContact O-N 3.15Å; P136-L140 HydrophobicContact CB-CD1 4.29Å; P136-L140 WeakPolarHBondContact O-CB 3.41Å; P136-L140 WeakPolarHBondContact O-CG 3.44Å; P136-L140 PolarHBondContact O-N 3.19Å
137	Y	97.8	Very high	97.2	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-53.3	-49.7	179.8	-176.9	-116	0	0	0	111.8	F123 T132 S133 S141 I362 M363 Y366	F123-Y137 HydrophobicContact CE2-CD2 4.05Å; F123-Y137 HydrophobicContact CE2-CE2 4.22Å; F123-Y137 HydrophobicContact CZ-CD2 4.34Å; F123-Y137 HydrophobicContact CZ-CE2 4.12Å; T132-Y137 HydrophobicContact CG2-CD1 4.15Å; T132-Y137 HydrophobicContact CG2-CD2 3.75Å; T132-Y137 HydrophobicContact CG2-CE1 4.01Å; T132-Y137 HydrophobicContact CG2-CE2 3.6Å; T132-Y137 HydrophobicContact CG2-CG 4.04Å; S133-Y137 WeakPolarHBondContact O-CB 3.13Å; S133-Y137 PolarHBondContact OG-N 3.2Å; Y137-S141 WeakPolarHBondContact O-CA 3.47Å; Y137-S141 VanDerWaalsContact O-CB 3.29Å; Y137-S141 WeakPolarHBondContact O-CB 3.17Å; Y137-S141 PolarHBondContact O-N 3.19Å; Y137-S141 VanDerWaalsContact O-N 3.11Å; Y137-I362 HydrophobicContact CE2-CG2 3.69Å; Y137-I362 PolarHBondContact OH-O 2.74Å; Y137-M363 HydrophobicContact CD1-CG 4Å; Y137-M363 HydrophobicContact CE1-CG 3.49Å; Y137-M363 VanDerWaalsContact CE1-CG 3.49Å; Y137-M363 WeakPolarHBondContact OH-CA 3.39Å; Y137-Y366 PolarHBondContact OH-O 3.5Å
138	R	96.8	Very high	97.3	Very high	172 Å²	172	54.6 Å²	54.6	65%	0.649	25%	0.254	S	S	*	.	H	α-helix	trans	-63.4	-48.9	177.3	-173.3	175	65.6	179	1.2	112.1	K135 P136 L140 S141 M363	K135-R138 PolarHBondContact O-N 2.91Å; P136-R138 VanDerWaalsContact C-N 3.32Å; P136-R138 PolarHBondContact O-N 3.25Å; R138-L140 PolarHBondContact O-N 2.66Å; R138-S141 PolarHBondContact O-OG 3.01Å; R138-M363 HydrophobicContact CB-SD 4.22Å; R138-M363 HydrophobicContact CG-CE 4.48Å; R138-M363 HydrophobicContact CG-SD 4.1Å
139	K	97.4	Very high	97.4	Very high	148 Å²	148	54.6 Å²	54.6	64%	0.643	25%	0.254	S	S	*	.	H	α-helix	trans	-68.5	-33.9	-173.9	-172.4	175.5	178.6	-178.3	0	113.4	L108 K135 P136	L108-K139 HydrophobicContact CD1-CD 3.77Å; L108-K139 HydrophobicContact CD2-CD 3.95Å; L108-K139 HydrophobicContact CG-CD 4.48Å; K135-K139 WeakPolarHBondContact O-CB 3.3Å; K135-K139 PolarHBondContact O-N 3.41Å; K135-K139 VanDerWaalsContact O-N 3.07Å; P136-K139 PolarHBondContact O-N 2.92Å; P136-K139 VanDerWaalsContact O-N 3.15Å
140	L	97.8	Very high	97.3	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-102.9	1.1	-173.9	-55.1	177.5	0	0	0	113	I106 L108 L111 P136 R138 K142 F144 Y145	I106-L140 HydrophobicContact CD1-CD1 3.83Å; I106-L140 HydrophobicContact CG2-CD1 4.14Å; L108-L140 HydrophobicContact CD2-CD1 4.11Å; L108-L140 HydrophobicContact CD2-CD2 4.28Å; L108-L140 HydrophobicContact CD2-CG 4.18Å; L111-L140 HydrophobicContact CD1-CD1 3.96Å; L111-L140 HydrophobicContact CD1-CD2 3.81Å; L111-L140 HydrophobicContact CD1-CG 4.5Å; P136-L140 HydrophobicContact CB-CD1 4.29Å; P136-L140 WeakPolarHBondContact O-CB 3.41Å; P136-L140 WeakPolarHBondContact O-CG 3.44Å; P136-L140 PolarHBondContact O-N 3.19Å; R138-L140 PolarHBondContact O-N 2.66Å; L140-K142 PolarHBondContact O-N 3.43Å; L140-K142 VanDerWaalsContact O-N 3.14Å; L140-F144 HydrophobicContact CB-CB 4.13Å; L140-F144 HydrophobicContact CB-CD1 3.95Å; L140-F144 HydrophobicContact CB-CG 4.09Å; L140-F144 HydrophobicContact CD1-CD1 4.17Å; L140-F144 HydrophobicContact CD1-CE1 4.05Å; L140-F144 HydrophobicContact CD1-CZ 4.43Å; L140-F144 HydrophobicContact CD2-CB 4.38Å; L140-F144 HydrophobicContact CD2-CD1 4.25Å; L140-F144 HydrophobicContact CD2-CD2 3.9Å; L140-F144 HydrophobicContact CD2-CE2 4.22Å; L140-F144 HydrophobicContact CD2-CG 3.91Å; L140-F144 HydrophobicContact CG-CD1 4.35Å; L140-F144 HydrophobicContact CG-CG 4.43Å; L140-F144 WeakPolarHBondContact O-CB 3.45Å; L140-Y145 HydrophobicContact CB-CE2 3.7Å; L140-Y145 VanDerWaalsContact O-CD2 3.24Å; L140-Y145 WeakPolarHBondContact O-CD2 3.35Å; L140-Y145 WeakPolarHBondContact O-CE2 3.25Å
141	S	96.5	Very high	97.3	Very high	13 Å²	13	52.1 Å²	52.1	9%	0.091	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.2	-175.7	56.7	0	0	0	0	114.8	Y137 R138 I362	Y137-S141 WeakPolarHBondContact O-CA 3.47Å; Y137-S141 VanDerWaalsContact O-CB 3.29Å; Y137-S141 WeakPolarHBondContact O-CB 3.17Å; Y137-S141 PolarHBondContact O-N 3.19Å; Y137-S141 VanDerWaalsContact O-N 3.11Å; R138-S141 PolarHBondContact O-OG 3.01Å; S141-I362 PolarHBondContact O-N 3.09Å
142	K	97	Very high	97.3	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-123.1	147	-178.1	-64.2	-178.9	174	-177.6	0	110.5	L140 F144 D361	L140-K142 PolarHBondContact O-N 3.43Å; L140-K142 VanDerWaalsContact O-N 3.14Å; K142-F144 PolarHBondContact O-N 2.83Å; K142-D361 WeakPolarHBondContact CE-OD2 3.42Å; K142-D361 HydrophobicContact CG-CB 4.34Å; K142-D361 IonicContact NZ-OD2 3.39Å; K142-D361 PolarHBondContact NZ-OD2 3.44Å
143	H	93.7	Very high	97.2	Very high	186 Å²	186	54.6 Å²	54.6	86%	0.861	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	6.5	172.4	-47.5	-68.7	0	0	0	116.8
144	F	97.3	Very high	97.2	Very high	33 Å²	33	57.4 Å²	57.4	15%	0.145	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-54.2	178.5	-175	-100.3	0	0	0	112.1	F101 L111 Y121 L140 K142	F101-F144 HydrophobicContact CD1-CE1 4.36Å; F101-F144 HydrophobicContact CD1-CZ 4.39Å; F101-F144 HydrophobicContact CD2-CE1 4.03Å; F101-F144 HydrophobicContact CE1-CE1 4.37Å; F101-F144 HydrophobicContact CE1-CZ 4Å; F101-F144 HydrophobicContact CE2-CE1 4.04Å; F101-F144 HydrophobicContact CE2-CZ 4.14Å; F101-F144 HydrophobicContact CG-CE1 4.19Å; F101-F144 HydrophobicContact CZ-CE1 4.21Å; F101-F144 AromaticContact CZ-CZ 3.87Å; F101-F144 HydrophobicContact CZ-CZ 3.87Å; L111-F144 HydrophobicContact CD1-CE2 4.33Å; L111-F144 HydrophobicContact CD1-CZ 4.36Å; L111-F144 HydrophobicContact CD2-CZ 4Å; Y121-F144 WeakPolarHBondContact CB-O 3.31Å; Y121-F144 HydrophobicContact CD2-CD1 4.22Å; Y121-F144 HydrophobicContact CD2-CD2 4.17Å; Y121-F144 AromaticContact CD2-CE1 3.82Å; Y121-F144 HydrophobicContact CD2-CE1 3.82Å; Y121-F144 AromaticContact CD2-CE2 3.77Å; Y121-F144 HydrophobicContact CD2-CE2 3.77Å; Y121-F144 HydrophobicContact CD2-CG 4.38Å; Y121-F144 AromaticContact CD2-CZ 3.58Å; Y121-F144 HydrophobicContact CD2-CZ 3.58Å; Y121-F144 HydrophobicContact CE2-CD2 4.33Å; Y121-F144 HydrophobicContact CE2-CE1 4.38Å; Y121-F144 AromaticContact CE2-CE2 3.64Å; Y121-F144 HydrophobicContact CE2-CE2 3.64Å; Y121-F144 AromaticContact CE2-CZ 3.67Å; Y121-F144 HydrophobicContact CE2-CZ 3.67Å; L140-F144 HydrophobicContact CB-CB 4.13Å; L140-F144 HydrophobicContact CB-CD1 3.95Å; L140-F144 HydrophobicContact CB-CG 4.09Å; L140-F144 HydrophobicContact CD1-CD1 4.17Å; L140-F144 HydrophobicContact CD1-CE1 4.05Å; L140-F144 HydrophobicContact CD1-CZ 4.43Å; L140-F144 HydrophobicContact CD2-CB 4.38Å; L140-F144 HydrophobicContact CD2-CD1 4.25Å; L140-F144 HydrophobicContact CD2-CD2 3.9Å; L140-F144 HydrophobicContact CD2-CE2 4.22Å; L140-F144 HydrophobicContact CD2-CG 3.91Å; L140-F144 HydrophobicContact CG-CD1 4.35Å; L140-F144 HydrophobicContact CG-CG 4.43Å; L140-F144 WeakPolarHBondContact O-CB 3.45Å; K142-F144 PolarHBondContact O-N 2.83Å
145	Y	98.3	Very high	97.3	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.02	23%	0.228	C	C	.	.			trans	-83.1	155.4	-179.4	-57.5	-72.3	0	0	0	112.4	F101 I106 F123 L140 I362	F101-Y145 HydrophobicContact CB-CE1 3.99Å; F101-Y145 HydrophobicContact CD2-CE1 4.12Å; F101-Y145 HydrophobicContact CG-CE1 4.29Å; I106-Y145 WeakPolarHBondContact CD1-OH 3.43Å; F123-Y145 HydrophobicContact CB-CD1 3.66Å; F123-Y145 HydrophobicContact CB-CD2 4.09Å; F123-Y145 HydrophobicContact CB-CE1 3.91Å; F123-Y145 HydrophobicContact CB-CE2 4.28Å; F123-Y145 HydrophobicContact CB-CG 3.74Å; F123-Y145 HydrophobicContact CD2-CD2 4.49Å; F123-Y145 HydrophobicContact CD2-CE1 4.4Å; F123-Y145 AromaticContact CD2-CE2 3.97Å; F123-Y145 HydrophobicContact CD2-CE2 3.97Å; F123-Y145 AromaticContact CD2-CZ 3.92Å; F123-Y145 VanDerWaalsContact N-CD1 3.35Å; L140-Y145 HydrophobicContact CB-CE2 3.7Å; L140-Y145 VanDerWaalsContact O-CD2 3.24Å; L140-Y145 WeakPolarHBondContact O-CD2 3.35Å; L140-Y145 WeakPolarHBondContact O-CE2 3.25Å; Y145-I362 HydrophobicContact CD2-CD1 3.22Å; Y145-I362 HydrophobicContact CD2-CG1 4.21Å; Y145-I362 HydrophobicContact CE2-CD1 3.88Å; Y145-I362 HydrophobicContact CG-CD1 3.66Å
146	T	98.4	Very high	97.4	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	-124.2	-24.6	177.4	57.8	0	0	0	0	113.3	H120 Y121 V353 S356 A359	H120-T146 WeakPolarHBondContact CA-OG1 3.36Å; H120-T146 PolarHBondContact ND1-OG1 2.62Å; Y121-T146 PolarHBondContact N-OG1 3.18Å; Y121-T146 PolarHBondContact O-N 2.89Å; Y121-T146 PolarHBondContact O-OG1 3.3Å; T146-V353 HydrophobicContact CG2-CG1 3.91Å; T146-S356 PolarHBondContact O-N 3Å; T146-A359 WeakPolarHBondContact O-CB 3.16Å
147	L	98.7	Very high	97.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.6	173.5	-62.9	174	0	0	0	110.2	H120 Y121 V122 F123 D156 L339 K342	H120-L147 HydrophobicContact CB-CD1 3.98Å; H120-L147 HydrophobicContact CB-CG 4.44Å; H120-L147 WeakPolarHBondContact ND1-CG 3.23Å; Y121-L147 PolarHBondContact O-N 3.02Å; Y121-L147 VanDerWaalsContact O-N 3.13Å; V122-L147 WeakPolarHBondContact CA-O 3.41Å; V122-L147 HydrophobicContact CG1-CB 4.26Å; V122-L147 HydrophobicContact CG2-CB 4.24Å; V122-L147 HydrophobicContact CG2-CD1 4.49Å; F123-L147 PolarHBondContact N-O 3.13Å; L147-D156 WeakPolarHBondContact CA-OD2 3.01Å; L147-D156 HydrophobicContact CB-CB 4.28Å; L147-D156 HydrophobicContact CD2-CB 3.86Å; L147-L339 HydrophobicContact CD1-CD1 4.16Å; L147-K342 HydrophobicContact CD1-CD 4.31Å; L147-K342 HydrophobicContact CD2-CD 4.39Å
148	T	98.8	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.2	175.3	51.5	0	0	0	0	110.4	F123 D156 I157 T358 A359 I362 W365	F123-T148 HydrophobicContact CD1-CG2 4.45Å; T148-D156 PolarHBondContact N-OD2 3.34Å; T148-D156 WeakPolarHBondContact O-CB 3Å; T148-D156 PolarHBondContact O-N 3Å; T148-D156 PolarHBondContact OG1-N 3.14Å; T148-D156 PolarHBondContact OG1-OD2 3.23Å; T148-I157 PolarHBondContact O-N 2.97Å; T148-T358 PolarHBondContact OG1-OG1 3.13Å; T148-A359 HydrophobicContact CG2-CB 4.14Å; T148-I362 HydrophobicContact CG2-CD1 4.3Å; T148-W365 HydrophobicContact CG2-CE3 3.86Å; T148-W365 HydrophobicContact CG2-CH2 3.98Å; T148-W365 HydrophobicContact CG2-CZ3 3.47Å; T148-W365 VanDerWaalsContact CG2-CZ3 3.47Å
149	M	98.6	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	109.8	179	-177.8	173.9	173.6	0	0	110.2	I100 V122 F123 F124 L125 I157 M159 F336 L339	I100-M149 HydrophobicContact CD1-SD 4.31Å; V122-M149 HydrophobicContact CG1-CB 3.61Å; F123-M149 PolarHBondContact O-N 2.95Å; F124-M149 WeakPolarHBondContact CA-O 3.39Å; F124-M149 HydrophobicContact CD2-CB 4.31Å; F124-M149 HydrophobicContact CD2-CG 4.03Å; F124-M149 WeakPolarHBondContact CD2-O 3.42Å; F124-M149 HydrophobicContact CD2-SD 4.41Å; L125-M149 PolarHBondContact N-O 3.47Å; M149-I157 VanDerWaalsContact CA-O 3.29Å; M149-I157 WeakPolarHBondContact CA-O 3.34Å; M149-I157 HydrophobicContact CB-CB 3.96Å; M149-I157 HydrophobicContact CB-CG2 4.41Å; M149-I157 HydrophobicContact CE-CG2 4.33Å; M149-I157 HydrophobicContact CG-CB 3.87Å; M149-I157 HydrophobicContact CG-CG2 3.77Å; M149-I157 HydrophobicContact SD-CB 4.48Å; M149-I157 HydrophobicContact SD-CG2 4.04Å; M149-M159 HydrophobicContact CE-CB 4.45Å; M149-M159 HydrophobicContact CE-SD 3.5Å; M149-M159 VanDerWaalsContact CE-SD 3.5Å; M149-F336 HydrophobicContact CE-CD2 3.96Å; M149-F336 HydrophobicContact CE-CE2 4.04Å; M149-F336 HydrophobicContact CE-CG 4.38Å; M149-L339 HydrophobicContact SD-CD2 4.26Å
150	N	97.1	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	-168.9	176	64.6	29.2	0	0	0	111.9	L125 R152 I157 M159 W365 Y366	L125-N150 WeakPolarHBondContact O-CB 3.43Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.49Å; N150-R152 WeakPolarHBondContact OD1-CB 3.47Å; N150-R152 PolarHBondContact OD1-N 2.83Å; N150-I157 PolarHBondContact N-O 2.93Å; N150-M159 CarbonylContact C-O 3.57Å; N150-M159 PolarHBondContact O-N 3.26Å; N150-W365 VanDerWaalsContact ND2-CH2 3.28Å; N150-W365 WeakPolarHBondContact ND2-CH2 3.33Å; N150-Y366 VanDerWaalsContact ND2-CE2 3.25Å; N150-Y366 WeakPolarHBondContact ND2-CE2 3.25Å
151	Y	96.5	Very high	97.2	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.016	15%	0.152	C	C	.	.	S	Bend	trans	-67.5	-21.2	-178.1	65.1	-99.4	0	0	0	115.4	M126 P129 M159 F161 D254 F255 Y366	M126-Y151 WeakPolarHBondContact O-CD1 3.12Å; P129-Y151 WeakPolarHBondContact CD-OH 3.11Å; Y151-M159 VanDerWaalsContact CA-O 3.23Å; Y151-M159 WeakPolarHBondContact CA-O 3.35Å; Y151-M159 PolarHBondContact N-O 3.18Å; Y151-F161 HydrophobicContact CD1-CE2 4.11Å; Y151-F161 HydrophobicContact CG-CE2 4.33Å; Y151-D254 HydrophobicContact CD2-CB 4.19Å; Y151-D254 WeakPolarHBondContact CD2-O 3.19Å; Y151-D254 HydrophobicContact CE2-CB 4.38Å; Y151-F255 AromaticContact CD1-CD2 3.74Å; Y151-F255 HydrophobicContact CD1-CD2 3.74Å; Y151-F255 HydrophobicContact CD1-CE2 4.13Å; Y151-F255 HydrophobicContact CD2-CB 4.4Å; Y151-F255 HydrophobicContact CD2-CD2 4.19Å; Y151-F255 AromaticContact CE1-CD2 3.28Å; Y151-F255 HydrophobicContact CE1-CD2 3.28Å; Y151-F255 AromaticContact CE1-CE2 3.75Å; Y151-F255 HydrophobicContact CE1-CE2 3.75Å; Y151-F255 HydrophobicContact CE1-CG 4.34Å; Y151-F255 HydrophobicContact CE2-CB 3.72Å; Y151-F255 AromaticContact CE2-CD2 3.82Å; Y151-F255 HydrophobicContact CE2-CD2 3.82Å; Y151-F255 HydrophobicContact CE2-CG 4.27Å; Y151-F255 HydrophobicContact CG-CD2 4.17Å; Y151-F255 AromaticContact CZ-CD2 3.34Å; Y151-F255 AromaticContact CZ-CG 3.99Å; Y151-Y366 HydrophobicContact CE1-CE2 4.47Å; Y151-Y366 WeakPolarHBondContact CE1-OH 3.48Å; Y151-Y366 VanDerWaalsContact CZ-OH 3.24Å; Y151-Y366 PolarHBondContact OH-OH 2.81Å; Y151-Y366 VanDerWaalsContact OH-OH 3.09Å
152	R	96.9	Very high	97.1	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.045	15%	0.149	C	C	.	.			trans	-65.8	137.8	-174.4	-78.4	-174.6	50.4	147.1	-6.7	111.4	N150 D154 A155 W365 Y366 H371	N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.49Å; N150-R152 WeakPolarHBondContact OD1-CB 3.47Å; N150-R152 PolarHBondContact OD1-N 2.83Å; R152-D154 IonicContact CZ-OD1 3.15Å; R152-D154 IonicContact CZ-OD2 3.71Å; R152-D154 IonicContact NE-OD1 2.92Å; R152-D154 PolarHBondContact NE-OD1 2.76Å; R152-D154 IonicContact NH2-OD1 2.78Å; R152-D154 PolarHBondContact NH2-OD1 3.26Å; R152-D154 IonicContact NH2-OD2 2.65Å; R152-D154 PolarHBondContact NH2-OD2 3Å; R152-D154 PolarHBondContact O-N 2.96Å; R152-A155 WeakPolarHBondContact O-CB 3.46Å; R152-A155 PolarHBondContact O-N 3.45Å; R152-A155 VanDerWaalsContact O-N 3.13Å; R152-W365 HydrophobicContact CB-CZ2 4.18Å; R152-W365 PolarHBondContact NH1-O 3.39Å; R152-W365 VanDerWaalsContact NH1-O 3.1Å; R152-W365 VanDerWaalsContact NH2-NE1 3.1Å; R152-Y366 HydrophobicContact CG-CE2 4.16Å; R152-H371 PolarHBondContact NH1-CD2 3.41Å; R152-H371 PolarHBondContact NH1-NE2 3Å
153	R	96.1	Very high	97	Very high	121 Å²	121	29.2 Å²	29.2	46%	0.457	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.2	-177.8	-70.2	177.5	-66.4	156.8	-4.4	113.9	Q158 D254 P280	R153-Q158 VanDerWaalsContact CG-NE2 3.3Å; R153-D254 WeakPolarHBondContact CB-OD2 3.34Å; R153-D254 IonicContact CZ-OD1 2.84Å; R153-D254 PolarHBondContact N-OD2 3.13Å; R153-D254 IonicContact NE-OD1 2.75Å; R153-D254 PolarHBondContact NE-OD1 3.49Å; R153-D254 IonicContact NE-OD2 2.71Å; R153-D254 PolarHBondContact NE-OD2 3.13Å; R153-D254 IonicContact NH2-OD1 3.65Å; R153-D254 PolarHBondContact NH2-OD1 2.96Å; R153-D254 IonicContact NH2-OD2 3.19Å; R153-P280 VanDerWaalsContact CZ-CB 3.48Å
154	D	97	Very high	97.1	Very high	74 Å²	74	22 Å²	22	40%	0.396	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	9	177.9	77	-35.6	0	0	0	113.8	R152 T358 W365	R152-D154 IonicContact CZ-OD1 3.15Å; R152-D154 IonicContact CZ-OD2 3.71Å; R152-D154 IonicContact NE-OD1 2.92Å; R152-D154 PolarHBondContact NE-OD1 2.76Å; R152-D154 IonicContact NH2-OD1 2.78Å; R152-D154 PolarHBondContact NH2-OD1 3.26Å; R152-D154 IonicContact NH2-OD2 2.65Å; R152-D154 PolarHBondContact NH2-OD2 3Å; R152-D154 PolarHBondContact O-N 2.96Å; D154-T358 WeakPolarHBondContact O-CG2 3.2Å; D154-W365 PolarHBondContact OD1-NE1 3.49Å; D154-W365 PolarHBondContact OD2-NE1 2.91Å
155	A	98.3	Very high	96.9	Very high	10 Å²	10	22.5 Å²	22.5	8%	0.083	11%	0.106	C	C	.	.	S	Bend	trans	-63.4	153.5	167.1	0	0	0	0	0	110.3	R152 I157 W365	R152-A155 WeakPolarHBondContact O-CB 3.46Å; R152-A155 PolarHBondContact O-N 3.45Å; R152-A155 VanDerWaalsContact O-N 3.13Å; A155-I157 PolarHBondContact O-N 3.13Å; A155-W365 HydrophobicContact CB-CH2 4Å; A155-W365 HydrophobicContact CB-CZ2 3.97Å
156	D	98.5	Very high	96.7	Very high	39 Å²	39	26.4 Å²	26.4	21%	0.209	13%	0.132	C	C	.	.	S	Bend	trans	-60.1	-39.4	177.1	-61.1	-70.7	0	0	0	111.2	L147 T148 Q338 S356 T358	L147-D156 WeakPolarHBondContact CA-OD2 3.01Å; L147-D156 HydrophobicContact CB-CB 4.28Å; L147-D156 HydrophobicContact CD2-CB 3.86Å; T148-D156 PolarHBondContact N-OD2 3.34Å; T148-D156 WeakPolarHBondContact O-CB 3Å; T148-D156 PolarHBondContact O-N 3Å; T148-D156 PolarHBondContact OG1-N 3.14Å; T148-D156 PolarHBondContact OG1-OD2 3.23Å; D156-Q338 PolarHBondContact O-NE2 3.5Å; D156-S356 VanDerWaalsContact CG-CB 3.49Å; D156-S356 WeakPolarHBondContact OD1-CB 3.01Å; D156-S356 PolarHBondContact OD1-OG 3.4Å; D156-S356 VanDerWaalsContact OD1-OG 3.06Å; D156-S356 WeakPolarHBondContact OD2-CB 3.01Å; D156-S356 PolarHBondContact OD2-OG 2.98Å; D156-T358 PolarHBondContact OD2-OG1 3.01Å
157	I	98.6	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.4	173.2	-51.2	-57	0	0	0	107.8	T148 M149 N150 A155 G335 Q338 L339 K342	T148-I157 PolarHBondContact O-N 2.97Å; M149-I157 VanDerWaalsContact CA-O 3.29Å; M149-I157 WeakPolarHBondContact CA-O 3.34Å; M149-I157 HydrophobicContact CB-CB 3.96Å; M149-I157 HydrophobicContact CB-CG2 4.41Å; M149-I157 HydrophobicContact CE-CG2 4.33Å; M149-I157 HydrophobicContact CG-CB 3.87Å; M149-I157 HydrophobicContact CG-CG2 3.77Å; M149-I157 HydrophobicContact SD-CB 4.48Å; M149-I157 HydrophobicContact SD-CG2 4.04Å; N150-I157 PolarHBondContact N-O 2.93Å; A155-I157 PolarHBondContact O-N 3.13Å; I157-G335 WeakPolarHBondContact CG2-O 3.34Å; I157-Q338 HydrophobicContact CD1-CG 4.16Å; I157-Q338 HydrophobicContact CG2-CB 4.18Å; I157-Q338 HydrophobicContact CG2-CG 4.37Å; I157-L339 HydrophobicContact CD1-CB 4.02Å; I157-L339 HydrophobicContact CD1-CD1 4.07Å; I157-L339 HydrophobicContact CG1-CB 4.05Å; I157-L339 HydrophobicContact CG1-CD1 3.98Å; I157-L339 HydrophobicContact CG2-CB 4.09Å; I157-K342 HydrophobicContact CD1-CB 4.29Å; I157-K342 HydrophobicContact CD1-CD 3.83Å
158	Q	97.3	Very high	96	Very high	46 Å²	46	39 Å²	39	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.6	176.9	-168.7	-166.7	12	0	0	109.9	R153 Q338	R153-Q158 VanDerWaalsContact CG-NE2 3.3Å; Q158-Q338 PolarHBondContact O-OE1 3.3Å
159	M	96.5	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.			trans	-124	82.2	171.5	-163	173.7	78.6	0	0	108.8	F124 M126 M149 N150 Y151 S331	F124-M159 HydrophobicContact CE2-CE 3.36Å; F124-M159 HydrophobicContact CE2-SD 4.45Å; F124-M159 HydrophobicContact CZ-CE 3.71Å; M126-M159 HydrophobicContact CE-CE 3.89Å; M126-M159 WeakPolarHBondContact CE-O 3.44Å; M126-M159 HydrophobicContact CG-CE 3.56Å; M126-M159 HydrophobicContact SD-CB 4.33Å; M126-M159 HydrophobicContact SD-CE 3.29Å; M126-M159 WeakPolarHBondContact SD-CE 3.31Å; M149-M159 HydrophobicContact CE-CB 4.45Å; M149-M159 HydrophobicContact CE-SD 3.5Å; M149-M159 VanDerWaalsContact CE-SD 3.5Å; N150-M159 CarbonylContact C-O 3.57Å; N150-M159 PolarHBondContact O-N 3.26Å; Y151-M159 VanDerWaalsContact CA-O 3.23Å; Y151-M159 WeakPolarHBondContact CA-O 3.35Å; Y151-M159 PolarHBondContact N-O 3.18Å; M159-S331 VanDerWaalsContact CG-O 3.25Å; M159-S331 WeakPolarHBondContact CG-O 3.28Å
160	P	95.3	Very high	94.8	Very high	14 Å²	14	55.4 Å²	55.4	9%	0.091	26%	0.262	C	S	.	.			trans	-74.4	156.4	-177.8	33.9	-34.7	0	0	0	110.4	G162 Y163 S331 K334	P160-G162 WeakPolarHBondContact CB-O 3.49Å; P160-G162 PolarHBondContact O-N 3.12Å; P160-Y163 HydrophobicContact CG-CD1 4.46Å; P160-S331 WeakPolarHBondContact O-CB 3.46Å; P160-S331 PolarHBondContact O-OG 2.91Å; P160-K334 HydrophobicContact CG-CD 4.31Å
161	F	95.3	Very high	94.1	Very high	16 Å²	16	57.8 Å²	57.8	7%	0.07	27%	0.274	C	S	.	.	S	Bend	trans	-72.2	-6.5	176.2	-68.4	-86.4	0	0	0	115	M126 Y151 F255 V256 T257 G258 G327 E328 S331	M126-F161 HydrophobicContact CB-CE1 4.27Å; M126-F161 HydrophobicContact CB-CZ 3.91Å; M126-F161 HydrophobicContact CE-CD1 3.8Å; M126-F161 HydrophobicContact CE-CD2 3.97Å; M126-F161 HydrophobicContact CE-CE1 3.63Å; M126-F161 HydrophobicContact CE-CE2 3.81Å; M126-F161 HydrophobicContact CE-CG 3.98Å; M126-F161 HydrophobicContact CE-CZ 3.66Å; M126-F161 WeakPolarHBondContact O-CE2 3.45Å; M126-F161 WeakPolarHBondContact O-CZ 3.41Å; Y151-F161 HydrophobicContact CD1-CE2 4.11Å; Y151-F161 HydrophobicContact CG-CE2 4.33Å; F161-F255 HydrophobicContact CE2-CD2 4.24Å; F161-F255 AromaticContact CE2-CE2 3.85Å; F161-F255 HydrophobicContact CE2-CE2 3.85Å; F161-F255 HydrophobicContact CZ-CE2 4.29Å; F161-V256 WeakPolarHBondContact CD2-O 3.43Å; F161-T257 HydrophobicContact CD2-CG2 4.16Å; F161-T257 HydrophobicContact CE2-CG2 4.02Å; F161-T257 HydrophobicContact CZ-CG2 4.23Å; F161-G258 VanDerWaalsContact CB-N 3.35Å; F161-G327 CarbonylContact O-C 3.56Å; F161-E328 HydrophobicContact CD1-CG 4.26Å; F161-E328 WeakPolarHBondContact CD1-OE1 3.14Å; F161-E328 WeakPolarHBondContact O-CA 3.34Å; F161-E328 WeakPolarHBondContact O-CB 3.3Å; F161-E328 PolarHBondContact O-N 3.32Å; F161-S331 VanDerWaalsContact C-OG 3.24Å; F161-S331 PolarHBondContact O-OG 3.24Å
162	G	95.1	Very high	93.5	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	30%	0.298	C	S	.	.			trans	177.9	174.4	174.8	0	0	0	0	0	109.9	P160 F261 I326 S331	P160-G162 WeakPolarHBondContact CB-O 3.49Å; P160-G162 PolarHBondContact O-N 3.12Å; G162-F261 VanDerWaalsContact C-CE2 3.49Å; G162-F261 VanDerWaalsContact CA-CD2 3.47Å; G162-F261 VanDerWaalsContact CA-CE2 3.43Å; G162-F261 WeakPolarHBondContact O-CZ 3.39Å; G162-I326 CarbonylContact C-O 3.57Å; G162-I326 WeakPolarHBondContact CA-O 3.45Å; G162-S331 PolarHBondContact N-OG 2.84Å
163	Y	94.7	Very high	93	Very high	43 Å²	43	69.6 Å²	69.6	17%	0.169	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	160.9	178.8	57.4	-82.6	0	0	0	112	P160 M165 F261 I326 K334	P160-Y163 HydrophobicContact CG-CD1 4.46Å; Y163-M165 HydrophobicContact CE2-CB 4.32Å; Y163-M165 HydrophobicContact CE2-CE 3.94Å; Y163-F261 VanDerWaalsContact N-CE1 3.32Å; Y163-I326 HydrophobicContact CD1-CB 4.32Å; Y163-I326 HydrophobicContact CD1-CG2 4.43Å; Y163-I326 HydrophobicContact CD2-CB 4.4Å; Y163-I326 HydrophobicContact CD2-CG1 4.33Å; Y163-I326 HydrophobicContact CE1-CB 4.08Å; Y163-I326 HydrophobicContact CE1-CG2 3.78Å; Y163-I326 HydrophobicContact CE2-CB 4.19Å; Y163-I326 HydrophobicContact CE2-CG1 3.97Å; Y163-I326 HydrophobicContact CE2-CG2 4.44Å; Y163-I326 HydrophobicContact CG-CB 4.46Å; Y163-I326 PolarHBondContact N-O 3.18Å; Y163-I326 WeakPolarHBondContact O-CB 3.41Å; Y163-I326 PolarHBondContact O-N 2.98Å; Y163-K334 HydrophobicContact CD1-CD 4.1Å; Y163-K334 HydrophobicContact CE1-CD 3.96Å
164	M	95	Very high	92.8	Very high	33 Å²	33	67.5 Å²	67.5	16%	0.163	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.2	172.8	-52.4	-50	-57.4	0	0	110.1	F261 L264 P283 W319 Y323 E324	M164-F261 HydrophobicContact SD-CD1 4.24Å; M164-F261 HydrophobicContact SD-CE1 4.26Å; M164-L264 HydrophobicContact CE-CD1 4.44Å; M164-L264 HydrophobicContact SD-CD1 4.02Å; M164-P283 HydrophobicContact CE-CG 3.65Å; M164-P283 HydrophobicContact CG-CG 3.88Å; M164-P283 HydrophobicContact SD-CG 4.04Å; M164-W319 HydrophobicContact CE-CD2 4.4Å; M164-W319 HydrophobicContact CE-CE3 3.53Å; M164-W319 HydrophobicContact CE-CH2 4.01Å; M164-W319 HydrophobicContact CE-CZ3 3.3Å; M164-Y323 HydrophobicContact CB-CD1 4.29Å; M164-Y323 HydrophobicContact CB-CG 4.46Å; M164-E324 CarbonylContact C-O 3.47Å; M164-E324 WeakPolarHBondContact CA-O 3.26Å
165	M	93.1	Very high	92.7	Very high	45 Å²	45	65.1 Å²	65.1	22%	0.222	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.9	176.3	-167.8	-175.5	-45.3	0	0	110	Y163 R167 Y323 E324 I326	Y163-M165 HydrophobicContact CE2-CB 4.32Å; Y163-M165 HydrophobicContact CE2-CE 3.94Å; M165-R167 PolarHBondContact O-N 3.48Å; M165-Y323 CarbonylContact O-C 3.48Å; M165-Y323 WeakPolarHBondContact O-CA 3.48Å; M165-E324 PolarHBondContact N-O 2.81Å; M165-E324 PolarHBondContact O-N 3.01Å; M165-I326 HydrophobicContact CB-CD1 4.34Å; M165-I326 HydrophobicContact CB-CG1 3.9Å; M165-I326 HydrophobicContact CE-CD1 3.7Å; M165-I326 HydrophobicContact CE-CG1 3.68Å
166	P	94.7	Very high	92.6	Very high	86 Å²	86	68.2 Å²	68.2	56%	0.558	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	136.1	172.1	-24	33.6	0	0	0	111.5	H322 Y323	P166-H322 WeakPolarHBondContact CA-O 3.29Å; P166-Y323 HydrophobicContact CB-CD1 4.47Å; P166-Y323 HydrophobicContact CG-CD1 4.29Å; P166-Y323 HydrophobicContact CG-CE1 4.14Å
167	R	92.8	Very high	92.5	Very high	72 Å²	72	70 Å²	70	27%	0.272	34%	0.34	S	S	.	.			trans	-67.3	135.6	176.2	-77.1	-165.8	178	-90.3	8.5	110.8	M165 M320 H322 Y323 E324	M165-R167 PolarHBondContact O-N 3.48Å; R167-M320 WeakPolarHBondContact CD-O 3.34Å; R167-M320 PolarHBondContact NE-O 3.45Å; R167-H322 PolarHBondContact N-O 3.1Å; R167-Y323 PolarHBondContact NE-O 2.78Å; R167-E324 HydrophobicContact CG-CG 3.89Å; R167-E324 VanDerWaalsContact CZ-CG 3.49Å; R167-E324 IonicContact CZ-OE1 3.98Å; R167-E324 IonicContact NH1-OE1 2.78Å; R167-E324 PolarHBondContact NH1-OE1 2.8Å
168	K	90.5	Very high	92.3	Very high	202 Å²	202	73.1 Å²	73.1	88%	0.878	36%	0.357	S	S	*	.	S	Bend	trans	-80.1	-25.5	170.9	-63.6	-176.7	-179.7	-179.4	0	112.8
169	K	87.6	Confident	92.3	Very high	176 Å²	176	71.1 Å²	71.1	77%	0.765	35%	0.348	S	S	*	.	S	Bend	trans	-116.9	136.6	-177.7	-64.8	-176.2	179	-178.2	0	110
170	I	83.4	Confident	92.3	Very high	169 Å²	169	75 Å²	75	87%	0.867	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-67.1	136.6	172	-56.3	175	0	0	0	108.1
171	L	82.9	Confident	92.4	Very high	50 Å²	50	80 Å²	80	26%	0.262	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-68.7	154.7	174.7	-68.3	-171.1	0	0	0	111.7	F175 M320 R321	L171-F175 HydrophobicContact CB-CB 4.46Å; L171-F175 HydrophobicContact CD1-CD2 3.27Å; L171-F175 HydrophobicContact CD1-CE2 3.53Å; L171-F175 HydrophobicContact CD1-CG 4.03Å; L171-F175 HydrophobicContact CD1-CZ 4.48Å; L171-M320 WeakPolarHBondContact CD1-O 3.34Å; L171-R321 HydrophobicContact CD1-CG 4.46Å
172	N	83.3	Confident	92.5	Very high	98 Å²	98	82.8 Å²	82.8	52%	0.524	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-60	153.8	175.9	-172.1	10.3	0	0	0	111.6	N174 F175	N172-N174 PolarHBondContact O-N 3.32Å; N172-F175 WeakPolarHBondContact O-CB 3.23Å; N172-F175 PolarHBondContact O-N 2.82Å
173	L	86.8	Confident	92.6	Very high	165 Å²	165	82.8 Å²	82.8	86%	0.864	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.3	172.8	-64.2	174.3	0	0	0	112.4	F175	L173-F175 PolarHBondContact O-N 2.95Å
174	N	92.8	Very high	92.7	Very high	78 Å²	78	84.8 Å²	84.8	42%	0.417	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	11	178.2	-60.2	-16.9	0	0	0	114.3	N172 W176 D177 D178	N172-N174 PolarHBondContact O-N 3.32Å; N174-W176 VanDerWaalsContact C-N 3.27Å; N174-W176 PolarHBondContact O-N 3.29Å; N174-D177 PolarHBondContact O-N 3.16Å; N174-D178 PolarHBondContact O-N 3.23Å
175	F	93.7	Very high	92.8	Very high	23 Å²	23	91 Å²	91	10%	0.101	45%	0.448	C	S	.	.	H	α-helix	trans	-46.9	-47.8	-177.3	167.6	-109.4	0	0	0	113.4	L171 N172 L173 L179 M320 R321	L171-F175 HydrophobicContact CB-CB 4.46Å; L171-F175 HydrophobicContact CD1-CD2 3.27Å; L171-F175 HydrophobicContact CD1-CE2 3.53Å; L171-F175 HydrophobicContact CD1-CG 4.03Å; L171-F175 HydrophobicContact CD1-CZ 4.48Å; N172-F175 WeakPolarHBondContact O-CB 3.23Å; N172-F175 PolarHBondContact O-N 2.82Å; L173-F175 PolarHBondContact O-N 2.95Å; F175-L179 HydrophobicContact CE1-CD2 4.39Å; F175-L179 HydrophobicContact CZ-CD2 4.08Å; F175-L179 WeakPolarHBondContact O-CB 3.18Å; F175-L179 PolarHBondContact O-N 3.02Å; F175-M320 HydrophobicContact CE2-CB 3.95Å; F175-M320 HydrophobicContact CZ-CB 4.01Å; F175-R321 HydrophobicContact CD1-CG 3.63Å; F175-R321 HydrophobicContact CE1-CG 3.44Å; F175-R321 VanDerWaalsContact CE1-CG 3.44Å; F175-R321 HydrophobicContact CE2-CG 4.36Å; F175-R321 HydrophobicContact CG-CG 4.18Å; F175-R321 HydrophobicContact CZ-CG 3.83Å
176	W	95.8	Very high	93	Very high	76 Å²	76	89.5 Å²	89.5	29%	0.288	44%	0.441	S	S	.	.	H	α-helix	trans	-67.6	-37.7	-178.9	-67.1	114.1	0	0	0	112.7	N174 L179 R180 I314 E318	N174-W176 VanDerWaalsContact C-N 3.27Å; N174-W176 PolarHBondContact O-N 3.29Å; W176-L179 HydrophobicContact CE3-CD2 4.1Å; W176-L179 HydrophobicContact CZ3-CD2 4.13Å; W176-L179 PolarHBondContact O-N 2.79Å; W176-R180 WeakPolarHBondContact O-CG 3.42Å; W176-R180 PolarHBondContact O-N 3.11Å; W176-I314 HydrophobicContact CE3-CB 4.5Å; W176-I314 HydrophobicContact CE3-CD1 3.87Å; W176-I314 HydrophobicContact CE3-CG1 4.11Å; W176-I314 HydrophobicContact CZ3-CB 4.33Å; W176-I314 HydrophobicContact CZ3-CD1 4.28Å; W176-I314 HydrophobicContact CZ3-CG1 4.01Å; W176-E318 HydrophobicContact CH2-CB 4.05Å; W176-E318 HydrophobicContact CH2-CG 4.28Å; W176-E318 HydrophobicContact CZ2-CG 4.42Å
177	D	97	Very high	93.1	Very high	75 Å²	75	91.1 Å²	91.1	40%	0.401	45%	0.449	S	S	.	.	H	α-helix	trans	-71	-38.7	178.4	-66.3	-28.6	0	0	0	112	N174 L179 R180 K181	N174-D177 PolarHBondContact O-N 3.16Å; D177-L179 VanDerWaalsContact C-N 3.3Å; D177-R180 PolarHBondContact O-N 3.46Å; D177-R180 IonicContact OD1-CZ 2.78Å; D177-R180 IonicContact OD1-NH1 2.71Å; D177-R180 PolarHBondContact OD1-NH1 2.95Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 2.95Å
178	D	95.3	Very high	93.3	Very high	66 Å²	66	90.7 Å²	90.7	35%	0.353	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-38.4	174.5	-68.4	-22	0	0	0	111	N174 K181 I182	N174-D178 PolarHBondContact O-N 3.23Å; D178-K181 PolarHBondContact O-N 2.04Å; D178-K181 IonicContact OD1-NZ 3.21Å; D178-K181 PolarHBondContact OD1-NZ 3.06Å; D178-I182 VanDerWaalsContact O-CG1 3.31Å; D178-I182 WeakPolarHBondContact O-CG1 3.48Å; D178-I182 PolarHBondContact O-N 2.7Å
179	L	95.9	Very high	93.7	Very high	4 Å²	4	83.1 Å²	83.1	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-64.4	-44	173.7	-174	58.5	0	0	0	111.9	F175 W176 D177 K181 I182 V183 V267 I314 F317	F175-L179 HydrophobicContact CE1-CD2 4.39Å; F175-L179 HydrophobicContact CZ-CD2 4.08Å; F175-L179 WeakPolarHBondContact O-CB 3.18Å; F175-L179 PolarHBondContact O-N 3.02Å; W176-L179 HydrophobicContact CE3-CD2 4.1Å; W176-L179 HydrophobicContact CZ3-CD2 4.13Å; W176-L179 PolarHBondContact O-N 2.79Å; D177-L179 VanDerWaalsContact C-N 3.3Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 3.33Å; L179-I182 PolarHBondContact O-N 2.74Å; L179-V183 HydrophobicContact CD1-CG2 4.43Å; L179-V183 WeakPolarHBondContact O-CG2 3.36Å; L179-V183 PolarHBondContact O-N 3.41Å; L179-V267 HydrophobicContact CD1-CG1 3.35Å; L179-I314 HydrophobicContact CD2-CB 3.63Å; L179-I314 HydrophobicContact CD2-CG2 4.06Å; L179-I314 HydrophobicContact CG-CB 4Å; L179-I314 HydrophobicContact CG-CG2 3.84Å; L179-F317 HydrophobicContact CD1-CB 4.19Å; L179-F317 HydrophobicContact CD1-CD2 4.44Å; L179-F317 HydrophobicContact CD1-CG 4.36Å; L179-F317 HydrophobicContact CD2-CB 3.81Å
180	R	97.6	Very high	94.2	Very high	83 Å²	83	74.8 Å²	74.8	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-44	173	-74	176.3	-170.9	111.5	5.2	111.8	W176 D177 I182 V183 A184 T310 E311 I314	W176-R180 WeakPolarHBondContact O-CG 3.42Å; W176-R180 PolarHBondContact O-N 3.11Å; D177-R180 PolarHBondContact O-N 3.46Å; D177-R180 IonicContact OD1-CZ 2.78Å; D177-R180 IonicContact OD1-NH1 2.71Å; D177-R180 PolarHBondContact OD1-NH1 2.95Å; R180-I182 VanDerWaalsContact C-N 3.35Å; R180-I182 PolarHBondContact O-N 2.84Å; R180-V183 PolarHBondContact O-N 3.4Å; R180-A184 VanDerWaalsContact O-CB 3.29Å; R180-A184 WeakPolarHBondContact O-CB 2.85Å; R180-A184 PolarHBondContact O-N 2.88Å; R180-T310 HydrophobicContact CG-CG2 4.43Å; R180-E311 IonicContact CZ-OE1 3.58Å; R180-E311 IonicContact CZ-OE2 3.51Å; R180-E311 IonicContact NE-OE1 3.94Å; R180-E311 PolarHBondContact NE-OE1 2.71Å; R180-E311 IonicContact NE-OE2 2.78Å; R180-E311 IonicContact NH2-OE1 3.53Å; R180-E311 PolarHBondContact NH2-OE1 2.72Å; R180-E311 IonicContact NH2-OE2 3.33Å; R180-E311 PolarHBondContact NH2-OE2 3.41Å; R180-I314 HydrophobicContact CG-CD1 4.05Å
181	K	97.4	Very high	94.9	Very high	119 Å²	119	66.8 Å²	66.8	52%	0.517	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-39	176.4	-69.4	167.8	-164.1	159.4	0	112.4	D177 D178 L179 K185	D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 2.95Å; D178-K181 PolarHBondContact O-N 2.04Å; D178-K181 IonicContact OD1-NZ 3.21Å; D178-K181 PolarHBondContact OD1-NZ 3.06Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 3.33Å; K181-K185 WeakPolarHBondContact O-CG 2.99Å; K181-K185 PolarHBondContact O-N 3.48Å
182	I	96.3	Very high	95.6	Very high	74 Å²	74	64.9 Å²	64.9	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-47.9	175.6	-69.2	164.1	0	0	0	110	D178 L179 R180 A184 K185 V267	D178-I182 VanDerWaalsContact O-CG1 3.31Å; D178-I182 WeakPolarHBondContact O-CG1 3.48Å; D178-I182 PolarHBondContact O-N 2.7Å; L179-I182 PolarHBondContact O-N 2.74Å; R180-I182 VanDerWaalsContact C-N 3.35Å; R180-I182 PolarHBondContact O-N 2.84Å; I182-A184 PolarHBondContact O-N 3.25Å; I182-K185 PolarHBondContact O-N 3.27Å; I182-V267 HydrophobicContact CG2-CB 3.99Å; I182-V267 HydrophobicContact CG2-CG1 4.16Å; I182-V267 HydrophobicContact CG2-CG2 4.03Å
183	V	97.3	Very high	96.2	Very high	2 Å²	2	62 Å²	62	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-36.6	-178.6	174	0	0	0	0	112.1	L179 R180 K185 K186 T310 Y313 I314	L179-V183 HydrophobicContact CD1-CG2 4.43Å; L179-V183 WeakPolarHBondContact O-CG2 3.36Å; L179-V183 PolarHBondContact O-N 3.41Å; R180-V183 PolarHBondContact O-N 3.4Å; V183-K185 PolarHBondContact O-N 3.12Å; V183-K186 WeakPolarHBondContact O-CB 3.29Å; V183-K186 PolarHBondContact O-N 2.83Å; V183-T310 HydrophobicContact CG1-CG2 4.36Å; V183-Y313 HydrophobicContact CB-CD1 4.44Å; V183-Y313 HydrophobicContact CB-CE1 4.41Å; V183-Y313 HydrophobicContact CG1-CD1 3.74Å; V183-Y313 HydrophobicContact CG1-CE1 3.91Å; V183-Y313 HydrophobicContact CG2-CD1 3.77Å; V183-Y313 HydrophobicContact CG2-CE1 3.57Å; V183-I314 HydrophobicContact CB-CG2 4.49Å; V183-I314 HydrophobicContact CG2-CG2 3.96Å
184	A	97.1	Very high	96.6	Very high	84 Å²	84	54.4 Å²	54.4	69%	0.694	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-24.7	175.7	0	0	0	0	0	113.3	R180 I182 K186	R180-A184 VanDerWaalsContact O-CB 3.29Å; R180-A184 WeakPolarHBondContact O-CB 2.85Å; R180-A184 PolarHBondContact O-N 2.88Å; I182-A184 PolarHBondContact O-N 3.25Å; A184-K186 VanDerWaalsContact C-N 3.32Å
185	K	97.1	Very high	96.6	Very high	163 Å²	163	53.7 Å²	53.7	71%	0.709	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.9	175.3	-68	172.1	-177.1	-178.7	0	113.4	K181 I182 V183 T187	K181-K185 WeakPolarHBondContact O-CG 2.99Å; K181-K185 PolarHBondContact O-N 3.48Å; I182-K185 PolarHBondContact O-N 3.27Å; V183-K185 PolarHBondContact O-N 3.12Å; K185-T187 PolarHBondContact O-N 3.11Å
186	K	97.5	Very high	96.6	Very high	15 Å²	15	55.1 Å²	55.1	7%	0.065	28%	0.284	C	S	.	.			trans	-79.7	110.1	178.9	-66.1	178.2	174.7	-75.7	0	110	V183 A184 K239 S240 Y241 K242 D266 V267 S268	V183-K186 WeakPolarHBondContact O-CB 3.29Å; V183-K186 PolarHBondContact O-N 2.83Å; A184-K186 VanDerWaalsContact C-N 3.32Å; K186-K239 PolarHBondContact NZ-O 2.81Å; K186-S240 CarbonylContact C-O 3.44Å; K186-S240 WeakPolarHBondContact CA-O 3Å; K186-S240 WeakPolarHBondContact CB-O 3.38Å; K186-Y241 WeakPolarHBondContact CD-O 3.14Å; K186-Y241 PolarHBondContact NZ-O 2.52Å; K186-K242 HydrophobicContact CB-CG 4.09Å; K186-K242 HydrophobicContact CD-CG 4.19Å; K186-D266 PolarHBondContact NZ-O 2.89Å; K186-V267 WeakPolarHBondContact CE-O 3.31Å; K186-V267 PolarHBondContact NZ-O 3.17Å; K186-S268 PolarHBondContact NZ-OG 2.58Å; K186-S268 VanDerWaalsContact NZ-OG 3.08Å
187	T	96.4	Very high	96.6	Very high	119 Å²	119	54.2 Å²	54.2	73%	0.73	29%	0.289	S	S	*	.			trans	-96.3	-9.1	-175.4	53.1	0	0	0	0	113.8	K185 S240	K185-T187 PolarHBondContact O-N 3.11Å; T187-S240 PolarHBondContact N-O 2.67Å; T187-S240 VanDerWaalsContact N-O 3.12Å
188	K	97.9	Very high	96.6	Very high	63 Å²	63	55.8 Å²	55.8	27%	0.274	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.1	-175.5	-61.5	-164.6	170.4	-155.5	0	112.5	D217 Y219 L237 S240 Y241 K242	K188-D217 IonicContact NZ-OD2 3.76Å; K188-D217 PolarHBondContact NZ-OD2 3.06Å; K188-Y219 PolarHBondContact NZ-OH 3.43Å; K188-L237 HydrophobicContact CD-CD1 4.4Å; K188-S240 PolarHBondContact N-O 3.26Å; K188-Y241 HydrophobicContact CB-CD1 3.36Å; K188-Y241 HydrophobicContact CB-CD2 4.38Å; K188-Y241 HydrophobicContact CB-CE1 3.41Å; K188-Y241 VanDerWaalsContact CB-CE1 3.41Å; K188-Y241 HydrophobicContact CB-CE2 4.4Å; K188-Y241 HydrophobicContact CB-CG 3.9Å; K188-Y241 HydrophobicContact CD-CD1 4.2Å; K188-Y241 HydrophobicContact CD-CD2 4.39Å; K188-Y241 HydrophobicContact CD-CE1 3.48Å; K188-Y241 VanDerWaalsContact CD-CE1 3.48Å; K188-Y241 HydrophobicContact CD-CE2 3.68Å; K188-Y241 WeakPolarHBondContact CD-OH 3.47Å; K188-Y241 HydrophobicContact CG-CD1 4.46Å; K188-Y241 HydrophobicContact CG-CE1 4.12Å; K188-Y241 PolarHBondContact NZ-OH 3.48Å; K188-Y241 CarbonylContact O-C 3.5Å; K188-Y241 WeakPolarHBondContact O-CA 3.2Å; K188-K242 PolarHBondContact O-N 2.78Å
189	L	98.3	Very high	96.8	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.225	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-69.4	-174.8	-171.9	65	0	0	0	112	F214 P215 K242 F243 L304 A307	L189-F214 HydrophobicContact CD1-CE2 4.43Å; L189-F214 HydrophobicContact CD1-CZ 4.01Å; L189-F214 HydrophobicContact CD2-CD2 4.23Å; L189-F214 HydrophobicContact CD2-CE1 3.93Å; L189-F214 HydrophobicContact CD2-CE2 3.56Å; L189-F214 HydrophobicContact CD2-CZ 3.39Å; L189-F214 HydrophobicContact CG-CE1 4.09Å; L189-F214 HydrophobicContact CG-CE2 4.15Å; L189-F214 HydrophobicContact CG-CZ 3.54Å; L189-P215 HydrophobicContact CD2-CG 3.67Å; L189-K242 WeakPolarHBondContact O-CB 3.48Å; L189-K242 PolarHBondContact O-N 3.17Å; L189-K242 VanDerWaalsContact O-N 3.16Å; L189-F243 HydrophobicContact CD1-CD2 4.21Å; L189-F243 HydrophobicContact CD1-CE2 3.97Å; L189-F243 WeakPolarHBondContact O-CD2 2.95Å; L189-F243 PolarHBondContact O-N 3.36Å; L189-L304 HydrophobicContact CD2-CD2 4.12Å; L189-A307 HydrophobicContact CD1-CB 3.45Å; L189-A307 VanDerWaalsContact CD1-CB 3.45Å
190	A	98.7	Very high	96.9	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.7	-178.6	0	0	0	0	0	114.7	F214 V216 D217 Y241 F243 F245	A190-F214 HydrophobicContact CB-CD1 4.49Å; A190-F214 HydrophobicContact CB-CE1 3.62Å; A190-F214 HydrophobicContact CB-CZ 4.43Å; A190-V216 HydrophobicContact CB-CG2 4.49Å; A190-D217 PolarHBondContact O-N 3.21Å; A190-Y241 VanDerWaalsContact C-CE1 3.49Å; A190-Y241 WeakPolarHBondContact O-CD1 3.23Å; A190-Y241 VanDerWaalsContact O-CE1 3.25Å; A190-Y241 WeakPolarHBondContact O-CE1 3.32Å; A190-F243 VanDerWaalsContact CA-O 3.24Å; A190-F243 WeakPolarHBondContact CA-O 3.46Å; A190-F243 HydrophobicContact CB-CB 3.85Å; A190-F243 HydrophobicContact CB-CD2 4.46Å; A190-F245 HydrophobicContact CB-CD2 4.09Å; A190-F245 HydrophobicContact CB-CE2 3.62Å
191	C	98.1	Very high	96.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.9	176.4	63	0	0	0	0	113.2	F193 D217 Y241 F243 H244 F245	C191-F193 HydrophobicContact CB-CD2 4.35Å; C191-F193 HydrophobicContact CB-CE2 3.89Å; C191-D217 CarbonylContact C-O 3.58Å; C191-D217 VanDerWaalsContact CA-O 3.29Å; C191-D217 WeakPolarHBondContact CA-O 3.32Å; C191-Y241 HydrophobicContact CB-CD1 3.69Å; C191-Y241 HydrophobicContact CB-CD2 3.74Å; C191-Y241 HydrophobicContact CB-CE1 3.64Å; C191-Y241 HydrophobicContact CB-CE2 3.7Å; C191-Y241 HydrophobicContact CB-CG 3.73Å; C191-F243 PolarHBondContact N-O 3.32Å; C191-F243 VanDerWaalsContact N-O 3.1Å; C191-H244 PolarHBondContact SG-CD2 3.27Å; C191-F245 PolarHBondContact O-N 3.48Å
192	W	97.9	Very high	96.9	Very high	9 Å²	9	48 Å²	48	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	114.1	170	-173.1	31.6	0	0	0	111.2	V194 R203 E204 M207 V216 D217 V218 Y219 F245	W192-V194 HydrophobicContact CD2-CB 4.05Å; W192-V194 HydrophobicContact CD2-CG1 3.6Å; W192-V194 HydrophobicContact CE3-CG1 3.65Å; W192-V194 HydrophobicContact CG-CB 4.47Å; W192-V194 HydrophobicContact CG-CG1 4.18Å; W192-V194 HydrophobicContact CH2-CB 4.43Å; W192-V194 HydrophobicContact CH2-CG1 4.02Å; W192-V194 HydrophobicContact CH2-CG2 4.18Å; W192-V194 HydrophobicContact CZ2-CB 3.94Å; W192-V194 HydrophobicContact CZ2-CG1 3.96Å; W192-V194 HydrophobicContact CZ2-CG2 3.72Å; W192-V194 HydrophobicContact CZ3-CG1 3.87Å; W192-R203 HydrophobicContact CH2-CG 4.33Å; W192-R203 HydrophobicContact CZ2-CG 3.8Å; W192-E204 HydrophobicContact CH2-CB 4.16Å; W192-M207 HydrophobicContact CB-CE 4.06Å; W192-M207 HydrophobicContact CD2-CE 3.69Å; W192-M207 HydrophobicContact CD2-CG 4.35Å; W192-M207 HydrophobicContact CE3-CB 3.98Å; W192-M207 HydrophobicContact CE3-CE 3.74Å; W192-M207 HydrophobicContact CE3-CG 3.44Å; W192-M207 VanDerWaalsContact CE3-CG 3.44Å; W192-M207 HydrophobicContact CE3-SD 4.24Å; W192-M207 HydrophobicContact CG-CE 3.88Å; W192-M207 HydrophobicContact CH2-CB 3.95Å; W192-M207 HydrophobicContact CH2-CG 4.33Å; W192-M207 HydrophobicContact CZ3-CB 3.52Å; W192-M207 HydrophobicContact CZ3-CE 4.41Å; W192-M207 HydrophobicContact CZ3-CG 3.43Å; W192-M207 VanDerWaalsContact CZ3-CG 3.43Å; W192-V216 HydrophobicContact CB-CG1 3.94Å; W192-D217 PolarHBondContact N-O 3.15Å; W192-V218 HydrophobicContact CB-CG2 4.49Å; W192-V218 HydrophobicContact CE3-CG1 3.79Å; W192-V218 HydrophobicContact CE3-CG2 4.07Å; W192-V218 HydrophobicContact CZ3-CG1 4.41Å; W192-V218 WeakPolarHBondContact O-CA 3.47Å; W192-Y219 PolarHBondContact O-N 3.12Å; W192-F245 HydrophobicContact CB-CB 4.04Å; W192-F245 HydrophobicContact CG-CB 4.06Å
193	F	95.2	Very high	97	Very high	38 Å²	38	44.8 Å²	44.8	17%	0.167	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.3	177.9	-72.9	-102	0	0	0	110.4	C191 Y219 C227 Q238 R259	C191-F193 HydrophobicContact CB-CD2 4.35Å; C191-F193 HydrophobicContact CB-CE2 3.89Å; F193-Y219 CarbonylContact C-O 3.54Å; F193-Y219 WeakPolarHBondContact CA-O 3.31Å; F193-Y219 HydrophobicContact CD1-CD2 4.46Å; F193-Y219 HydrophobicContact CD1-CG 4.16Å; F193-Y219 HydrophobicContact CD2-CD2 4.45Å; F193-Y219 HydrophobicContact CE1-CD1 4.33Å; F193-Y219 AromaticContact CE1-CD2 3.92Å; F193-Y219 HydrophobicContact CE1-CD2 3.92Å; F193-Y219 AromaticContact CE1-CG 3.7Å; F193-Y219 HydrophobicContact CE1-CG 3.7Å; F193-Y219 AromaticContact CE2-CD2 3.89Å; F193-Y219 HydrophobicContact CE2-CD2 3.89Å; F193-Y219 HydrophobicContact CE2-CE2 4.47Å; F193-Y219 HydrophobicContact CE2-CG 4.48Å; F193-Y219 AromaticContact CZ-CD2 3.6Å; F193-Y219 HydrophobicContact CZ-CD2 3.6Å; F193-Y219 HydrophobicContact CZ-CE2 4.11Å; F193-Y219 AromaticContact CZ-CG 3.88Å; F193-Y219 HydrophobicContact CZ-CG 3.88Å; F193-C227 HydrophobicContact CD1-CB 4.47Å; F193-C227 HydrophobicContact CE1-CB 3.84Å; F193-Q238 HydrophobicContact CD2-CG 4.1Å; F193-Q238 HydrophobicContact CE1-CG 4.34Å; F193-Q238 HydrophobicContact CE2-CG 3.35Å; F193-Q238 HydrophobicContact CZ-CG 3.5Å; F193-Q238 VanDerWaalsContact CZ-CG 3.5Å; F193-R259 PolarHBondContact O-NH1 2.92Å; F193-R259 PolarHBondContact O-NH2 3.31Å
194	V	95.2	Very high	97	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.03	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	133.5	-169	60.7	0	0	0	0	113.1	W192 N196 R203 V218 Y219 G220 E221 C222	W192-V194 HydrophobicContact CD2-CB 4.05Å; W192-V194 HydrophobicContact CD2-CG1 3.6Å; W192-V194 HydrophobicContact CE3-CG1 3.65Å; W192-V194 HydrophobicContact CG-CB 4.47Å; W192-V194 HydrophobicContact CG-CG1 4.18Å; W192-V194 HydrophobicContact CH2-CB 4.43Å; W192-V194 HydrophobicContact CH2-CG1 4.02Å; W192-V194 HydrophobicContact CH2-CG2 4.18Å; W192-V194 HydrophobicContact CZ2-CB 3.94Å; W192-V194 HydrophobicContact CZ2-CG1 3.96Å; W192-V194 HydrophobicContact CZ2-CG2 3.72Å; W192-V194 HydrophobicContact CZ3-CG1 3.87Å; V194-N196 WeakPolarHBondContact CG2-O 3.29Å; V194-R203 VanDerWaalsContact CG2-NH2 3.35Å; V194-V218 HydrophobicContact CG1-CG1 3.67Å; V194-Y219 PolarHBondContact N-O 3.01Å; V194-G220 CarbonylContact O-C 3.58Å; V194-G220 WeakPolarHBondContact O-CA 3.34Å; V194-E221 PolarHBondContact O-N 3.34Å; V194-E221 VanDerWaalsContact O-N 3.13Å; V194-C222 HydrophobicContact CG1-CB 3.79Å; V194-C222 HydrophobicContact CG2-CB 4.47Å; V194-C222 PolarHBondContact O-N 3.02Å
195	S	92.8	Very high	97	Very high	64 Å²	64	43.5 Å²	43.5	45%	0.448	23%	0.232	S	C	.	.			trans	-121.3	-21.7	177.1	56.9	0	0	0	0	114
196	N	94.3	Very high	97	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.283	20%	0.198	S	C	.	.			trans	-96.4	112.1	172.7	-174.6	-1	0	0	0	109.4	Y131 V194 D198 T199 R203 C222	Y131-N196 PolarHBondContact OH-ND2 3.1Å; V194-N196 WeakPolarHBondContact CG2-O 3.29Å; N196-D198 PolarHBondContact OD1-N 3.15Å; N196-D198 PolarHBondContact OD1-O 3.26Å; N196-T199 HydrophobicContact CB-CG2 4.17Å; N196-T199 WeakPolarHBondContact O-CG2 3.45Å; N196-R203 PolarHBondContact O-NH2 3.06Å; N196-C222 VanDerWaalsContact C-SG 3.5Å
197	C	96	Very high	97	Very high	57 Å²	57	35 Å²	35	39%	0.385	20%	0.195	S	C	.	.			trans	-101.7	-5.9	-167.5	-43.7	0	0	0	0	114.1	E204 C222	C197-E204 WeakPolarHBondContact O-CG 3.47Å; C197-C222 WeakPolarHBondContact CA-SG 3.46Å; C197-C222 HydrophobicContact CB-CB 3.78Å; C197-C222 WeakPolarHBondContact CB-SG 3.32Å; C197-C222 PolarHBondContact N-SG 2.62Å; C197-C222 WeakPolarHBondContact SG-CA 3.22Å; C197-C222 WeakPolarHBondContact SG-CB 3.33Å; C197-C222 PolarHBondContact SG-N 3.37Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.93Å
198	D	97.2	Very high	97	Very high	108 Å²	108	37 Å²	37	58%	0.578	19%	0.189	S	C	*	.	S	Bend	trans	-133.8	105.3	169.5	-178.1	17.2	0	0	0	107.8	N196 K202	N196-D198 PolarHBondContact OD1-N 3.15Å; N196-D198 PolarHBondContact OD1-O 3.26Å; D198-K202 IonicContact OD1-NZ 3.99Å; D198-K202 PolarHBondContact OD1-NZ 3.01Å
199	T	98.1	Very high	97	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	19%	0.185	C	C	.	.			trans	-119.8	154.1	-169.4	64.1	0	0	0	0	111.5	N196 S201 K202 R203 E204 N249	N196-T199 HydrophobicContact CB-CG2 4.17Å; N196-T199 WeakPolarHBondContact O-CG2 3.45Å; T199-S201 PolarHBondContact O-N 3.07Å; T199-S201 PolarHBondContact OG1-OG 2.98Å; T199-S201 VanDerWaalsContact OG1-OG 3.09Å; T199-K202 WeakPolarHBondContact O-CD 3.12Å; T199-K202 WeakPolarHBondContact O-CE 3.25Å; T199-K202 PolarHBondContact O-N 2.74Å; T199-K202 PolarHBondContact OG1-N 2.83Å; T199-R203 HydrophobicContact CG2-CG 4.4Å; T199-R203 PolarHBondContact OG1-N 3.34Å; T199-E204 PolarHBondContact OG1-OE2 3.28Å; T199-N249 HydrophobicContact CG2-CB 3.86Å
200	S	97.7	Very high	97	Very high	34 Å²	34	33.7 Å²	33.7	24%	0.238	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.5	174.1	-171.5	0	0	0	0	112.2	H130 K202 N249 G375	H130-S200 PolarHBondContact CE1-OG 3.23Å; H130-S200 PolarHBondContact ND1-OG 2.85Å; H130-S200 VanDerWaalsContact ND1-OG 3.08Å; H130-S200 PolarHBondContact NE2-OG 2.9Å; S200-K202 PolarHBondContact O-N 3.41Å; S200-N249 PolarHBondContact N-O 3.01Å; S200-G375 PolarHBondContact O-N 3.35Å
201	S	98	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.7	174	59.5	0	0	0	0	113.9	T199 R203 E248 N249 G375 Y376 G377	T199-S201 PolarHBondContact O-N 3.07Å; T199-S201 PolarHBondContact OG1-OG 2.98Å; T199-S201 VanDerWaalsContact OG1-OG 3.09Å; S201-R203 PolarHBondContact O-N 2.99Å; S201-E248 WeakPolarHBondContact CB-O 3.5Å; S201-E248 PolarHBondContact OG-O 3.42Å; S201-N249 PolarHBondContact N-O 2.82Å; S201-G375 CarbonylContact O-C 3.56Å; S201-Y376 PolarHBondContact O-N 3.15Å; S201-G377 WeakPolarHBondContact O-CA 3.24Å; S201-G377 PolarHBondContact O-N 3.18Å
202	K	97.8	Very high	96.9	Very high	70 Å²	70	44 Å²	44	30%	0.304	22%	0.22	S	C	.	.			trans	53.4	34.5	-171	-57.2	-64.6	175.2	-176.6	0	113	D198 T199 S200 E204 V205	D198-K202 IonicContact OD1-NZ 3.99Å; D198-K202 PolarHBondContact OD1-NZ 3.01Å; T199-K202 WeakPolarHBondContact O-CD 3.12Å; T199-K202 WeakPolarHBondContact O-CE 3.25Å; T199-K202 PolarHBondContact O-N 2.74Å; T199-K202 PolarHBondContact OG1-N 2.83Å; S200-K202 PolarHBondContact O-N 3.41Å; K202-E204 WeakPolarHBondContact CA-OE1 3.45Å; K202-E204 WeakPolarHBondContact CD-OE1 3.24Å; K202-E204 PolarHBondContact O-N 3.36Å; K202-V205 HydrophobicContact CB-CG2 4.16Å; K202-V205 WeakPolarHBondContact O-CB 3.13Å; K202-V205 PolarHBondContact O-N 3.06Å; K202-V205 VanDerWaalsContact O-N 3.12Å
203	R	97.6	Very high	96.9	Very high	8 Å²	8	48.6 Å²	48.6	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-30.4	178.9	64.3	-179.5	179.2	-172	-8.3	112.9	W192 V194 N196 T199 S201 V205 Y206 M207 F247 E248 L273	W192-R203 HydrophobicContact CH2-CG 4.33Å; W192-R203 HydrophobicContact CZ2-CG 3.8Å; V194-R203 VanDerWaalsContact CG2-NH2 3.35Å; N196-R203 PolarHBondContact O-NH2 3.06Å; T199-R203 HydrophobicContact CG2-CG 4.4Å; T199-R203 PolarHBondContact OG1-N 3.34Å; S201-R203 PolarHBondContact O-N 2.99Å; R203-V205 VanDerWaalsContact C-N 3.32Å; R203-Y206 PolarHBondContact O-N 2.02Å; R203-M207 PolarHBondContact O-N 2.85Å; R203-F247 HydrophobicContact CB-CB 3.72Å; R203-F247 HydrophobicContact CB-CD2 4.13Å; R203-F247 HydrophobicContact CB-CG 4.33Å; R203-F247 WeakPolarHBondContact CD-O 3.3Å; R203-F247 HydrophobicContact CG-CB 4.33Å; R203-F247 PolarHBondContact NH1-O 3.1Å; R203-E248 WeakPolarHBondContact CD-O 3.43Å; R203-L273 HydrophobicContact CB-CD1 3.96Å
204	E	97.5	Very high	97.1	Very high	21 Å²	21	46.8 Å²	46.8	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-31.6	177.7	66.2	-76.8	169.9	0	0	112.8	W192 C197 T199 K202 R208	W192-E204 HydrophobicContact CH2-CB 4.16Å; C197-E204 WeakPolarHBondContact O-CG 3.47Å; T199-E204 PolarHBondContact OG1-OE2 3.28Å; K202-E204 WeakPolarHBondContact CA-OE1 3.45Å; K202-E204 WeakPolarHBondContact CD-OE1 3.24Å; K202-E204 PolarHBondContact O-N 3.36Å; E204-R208 WeakPolarHBondContact O-CB 3.46Å; E204-R208 PolarHBondContact O-N 3.19Å
205	V	97	Very high	97.2	Very high	37 Å²	37	50.5 Å²	50.5	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-45.7	176.1	179.9	0	0	0	0	109.6	K202 R203 M207 R208 N209	K202-V205 HydrophobicContact CB-CG2 4.16Å; K202-V205 WeakPolarHBondContact O-CB 3.13Å; K202-V205 PolarHBondContact O-N 3.06Å; K202-V205 VanDerWaalsContact O-N 3.12Å; R203-V205 VanDerWaalsContact C-N 3.32Å; V205-M207 PolarHBondContact O-N 3.49Å; V205-R208 PolarHBondContact O-N 3.1Å; V205-N209 PolarHBondContact O-N 3.3Å
206	Y	97.9	Very high	97.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-50.4	173.9	-168.9	-81.3	0	0	0	111.1	R203 R208 N209 L210 F247 L273 A290 P296 M299 G377 I380	R203-Y206 PolarHBondContact O-N 2.02Å; Y206-R208 VanDerWaalsContact C-N 3.34Å; Y206-R208 PolarHBondContact O-N 2.6Å; Y206-N209 PolarHBondContact O-N 3.45Å; Y206-N209 VanDerWaalsContact O-N 3.14Å; Y206-L210 HydrophobicContact CD1-CB 4.35Å; Y206-L210 HydrophobicContact CE1-CB 4.17Å; Y206-L210 HydrophobicContact CE1-CD2 4.23Å; Y206-L210 PolarHBondContact O-N 3.38Å; Y206-F247 AromaticContact CD1-CE2 3.59Å; Y206-F247 HydrophobicContact CD1-CE2 3.59Å; Y206-F247 AromaticContact CD1-CZ 3.72Å; Y206-F247 HydrophobicContact CD1-CZ 3.72Å; Y206-F247 HydrophobicContact CE1-CE2 4.25Å; Y206-F247 AromaticContact CE1-CZ 3.94Å; Y206-F247 HydrophobicContact CE1-CZ 3.94Å; Y206-F247 HydrophobicContact CG-CE2 4.32Å; Y206-L273 HydrophobicContact CG-CD2 4.32Å; Y206-A290 HydrophobicContact CE1-CB 4.04Å; Y206-A290 HydrophobicContact CE2-CB 3.9Å; Y206-A290 WeakPolarHBondContact OH-CB 3.42Å; Y206-P296 HydrophobicContact CE2-CG 4.04Å; Y206-M299 HydrophobicContact CE1-CE 3.54Å; Y206-M299 WeakPolarHBondContact OH-CE 3.39Å; Y206-G377 WeakPolarHBondContact CB-O 3.24Å; Y206-I380 HydrophobicContact CD2-CD1 3.98Å; Y206-I380 HydrophobicContact CD2-CG1 3.68Å; Y206-I380 HydrophobicContact CE2-CD1 3.82Å; Y206-I380 HydrophobicContact CE2-CG1 3.82Å; Y206-I380 WeakPolarHBondContact CE2-O 2.97Å
207	M	97.9	Very high	97.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-46	-178.5	-176.2	61	66.5	0	0	111.7	W192 R203 V205 N209 L210 Q211 V216 F245 F247	W192-M207 HydrophobicContact CB-CE 4.06Å; W192-M207 HydrophobicContact CD2-CE 3.69Å; W192-M207 HydrophobicContact CD2-CG 4.35Å; W192-M207 HydrophobicContact CE3-CB 3.98Å; W192-M207 HydrophobicContact CE3-CE 3.74Å; W192-M207 HydrophobicContact CE3-CG 3.44Å; W192-M207 VanDerWaalsContact CE3-CG 3.44Å; W192-M207 HydrophobicContact CE3-SD 4.24Å; W192-M207 HydrophobicContact CG-CE 3.88Å; W192-M207 HydrophobicContact CH2-CB 3.95Å; W192-M207 HydrophobicContact CH2-CG 4.33Å; W192-M207 HydrophobicContact CZ3-CB 3.52Å; W192-M207 HydrophobicContact CZ3-CE 4.41Å; W192-M207 HydrophobicContact CZ3-CG 3.43Å; W192-M207 VanDerWaalsContact CZ3-CG 3.43Å; R203-M207 PolarHBondContact O-N 2.85Å; V205-M207 PolarHBondContact O-N 3.49Å; M207-N209 PolarHBondContact O-N 3.44Å; M207-L210 PolarHBondContact O-N 2.97Å; M207-L210 VanDerWaalsContact O-N 3.13Å; M207-L210 HydrophobicContact SD-CD2 4.26Å; M207-Q211 HydrophobicContact CG-CG 4.06Å; M207-Q211 WeakPolarHBondContact O-CB 3.26Å; M207-Q211 WeakPolarHBondContact O-CG 3.41Å; M207-Q211 PolarHBondContact O-N 2.9Å; M207-Q211 HydrophobicContact SD-CG 3.88Å; M207-V216 HydrophobicContact CE-CG1 4.27Å; M207-V216 HydrophobicContact SD-CB 4.14Å; M207-V216 HydrophobicContact SD-CG1 4.09Å; M207-V216 HydrophobicContact SD-CG2 3.94Å; M207-F245 HydrophobicContact CE-CB 3.71Å; M207-F245 HydrophobicContact CE-CD1 3.72Å; M207-F245 HydrophobicContact CE-CD2 3.99Å; M207-F245 HydrophobicContact CE-CE1 4.35Å; M207-F245 HydrophobicContact CE-CG 3.52Å; M207-F247 HydrophobicContact CE-CD2 4.19Å; M207-F247 HydrophobicContact CE-CE2 3.94Å
208	R	96.7	Very high	97.7	Very high	159 Å²	159	45.9 Å²	45.9	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-57.8	-37.8	178.7	-170	-171.9	-55.8	154.6	4.1	112.3	E204 V205 Y206	E204-R208 WeakPolarHBondContact O-CB 3.46Å; E204-R208 PolarHBondContact O-N 3.19Å; V205-R208 PolarHBondContact O-N 3.1Å; Y206-R208 VanDerWaalsContact C-N 3.34Å; Y206-R208 PolarHBondContact O-N 2.6Å
209	N	97	Very high	97.7	Very high	37 Å²	37	41.6 Å²	41.6	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-75.7	-36.5	177.1	-75.6	-26	0	0	0	112.6	V205 Y206 M207 K212 P296 G381	V205-N209 PolarHBondContact O-N 3.3Å; Y206-N209 PolarHBondContact O-N 3.45Å; Y206-N209 VanDerWaalsContact O-N 3.14Å; M207-N209 PolarHBondContact O-N 3.44Å; N209-K212 WeakPolarHBondContact O-CB 3.34Å; N209-K212 PolarHBondContact OD1-NZ 3.08Å; N209-P296 HydrophobicContact CB-CG 4.15Å; N209-G381 PolarHBondContact ND2-O 3.17Å
210	L	98	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-42.1	174.9	179.4	65.3	0	0	0	112.5	Y206 M207 K212 Y213 F214 F245 P296 M299 A300	Y206-L210 HydrophobicContact CD1-CB 4.35Å; Y206-L210 HydrophobicContact CE1-CB 4.17Å; Y206-L210 HydrophobicContact CE1-CD2 4.23Å; Y206-L210 PolarHBondContact O-N 3.38Å; M207-L210 PolarHBondContact O-N 2.97Å; M207-L210 VanDerWaalsContact O-N 3.13Å; M207-L210 HydrophobicContact SD-CD2 4.26Å; L210-K212 PolarHBondContact O-N 3.13Å; L210-Y213 PolarHBondContact O-N 3.27Å; L210-F214 HydrophobicContact CD1-CB 4.06Å; L210-F214 HydrophobicContact CG-CB 4.17Å; L210-F214 PolarHBondContact O-N 3.24Å; L210-F245 HydrophobicContact CD2-CD1 4.31Å; L210-F245 HydrophobicContact CD2-CE1 3.31Å; L210-F245 HydrophobicContact CD2-CE2 4.31Å; L210-F245 HydrophobicContact CD2-CZ 3.34Å; L210-P296 HydrophobicContact CB-CB 4.18Å; L210-P296 HydrophobicContact CD1-CB 4.23Å; L210-P296 WeakPolarHBondContact CD1-O 3.4Å; L210-M299 HydrophobicContact CD1-CE 3.55Å; L210-M299 HydrophobicContact CD2-CE 3.35Å; L210-M299 HydrophobicContact CG-CE 4.05Å; L210-A300 HydrophobicContact CD1-CB 4.05Å
211	Q	97.6	Very high	97.3	Very high	85 Å²	85	46.7 Å²	46.7	40%	0.397	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.3	-177	-76.7	-177.7	-62.5	0	0	114.2	M207 Y213 F214 V216 V218	M207-Q211 HydrophobicContact CG-CG 4.06Å; M207-Q211 WeakPolarHBondContact O-CB 3.26Å; M207-Q211 WeakPolarHBondContact O-CG 3.41Å; M207-Q211 PolarHBondContact O-N 2.9Å; M207-Q211 HydrophobicContact SD-CG 3.88Å; Q211-Y213 PolarHBondContact O-N 3.03Å; Q211-F214 WeakPolarHBondContact CA-O 3.49Å; Q211-V216 HydrophobicContact CG-CB 4.2Å; Q211-V216 HydrophobicContact CG-CG2 4.28Å; Q211-V216 PolarHBondContact NE2-O 2.94Å; Q211-V218 VanDerWaalsContact NE2-CG2 3.28Å
212	K	97.6	Very high	97.2	Very high	136 Å²	136	48.6 Å²	48.6	59%	0.591	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.3	170.1	-63.1	171.5	178.8	167.6	0	112.8	N209 L210	N209-K212 WeakPolarHBondContact O-CB 3.34Å; N209-K212 PolarHBondContact OD1-NZ 3.08Å; L210-K212 PolarHBondContact O-N 3.13Å
213	Y	97.9	Very high	96.9	Very high	104 Å²	104	46 Å²	46	41%	0.408	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-18.3	-172.2	-48.2	-66.2	0	0	0	113.2	L210 Q211 K297	L210-Y213 PolarHBondContact O-N 3.27Å; Q211-Y213 PolarHBondContact O-N 3.03Å; Y213-K297 HydrophobicContact CD1-CB 4.32Å; Y213-K297 HydrophobicContact CD1-CD 4.43Å; Y213-K297 HydrophobicContact CD1-CG 3.86Å; Y213-K297 HydrophobicContact CD2-CB 3.76Å; Y213-K297 HydrophobicContact CD2-CG 4.16Å; Y213-K297 HydrophobicContact CE1-CB 4.35Å; Y213-K297 HydrophobicContact CE1-CD 4.31Å; Y213-K297 HydrophobicContact CE1-CG 4.09Å; Y213-K297 HydrophobicContact CE2-CB 3.79Å; Y213-K297 HydrophobicContact CE2-CG 4.37Å; Y213-K297 HydrophobicContact CG-CB 4.02Å; Y213-K297 HydrophobicContact CG-CG 3.89Å
214	F	98.2	Very high	96.8	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.262	C	S	.	.	S	Bend	trans	-139.6	122.4	-173.6	-164	-103.1	0	0	0	111.3	L189 A190 L210 Q211 V216 F243 F245 A300 L303 L304	L189-F214 HydrophobicContact CD1-CE2 4.43Å; L189-F214 HydrophobicContact CD1-CZ 4.01Å; L189-F214 HydrophobicContact CD2-CD2 4.23Å; L189-F214 HydrophobicContact CD2-CE1 3.93Å; L189-F214 HydrophobicContact CD2-CE2 3.56Å; L189-F214 HydrophobicContact CD2-CZ 3.39Å; L189-F214 HydrophobicContact CG-CE1 4.09Å; L189-F214 HydrophobicContact CG-CE2 4.15Å; L189-F214 HydrophobicContact CG-CZ 3.54Å; A190-F214 HydrophobicContact CB-CD1 4.49Å; A190-F214 HydrophobicContact CB-CE1 3.62Å; A190-F214 HydrophobicContact CB-CZ 4.43Å; L210-F214 HydrophobicContact CD1-CB 4.06Å; L210-F214 HydrophobicContact CG-CB 4.17Å; L210-F214 PolarHBondContact O-N 3.24Å; Q211-F214 WeakPolarHBondContact CA-O 3.49Å; F214-V216 HydrophobicContact CD1-CG2 3.84Å; F214-V216 HydrophobicContact CE1-CG2 4.49Å; F214-V216 PolarHBondContact O-N 3.08Å; F214-F243 HydrophobicContact CZ-CD2 4.03Å; F214-F243 HydrophobicContact CZ-CE2 4.25Å; F214-F245 HydrophobicContact CD1-CE2 4.31Å; F214-F245 HydrophobicContact CD1-CZ 4.25Å; F214-F245 HydrophobicContact CE1-CE2 4.17Å; F214-F245 HydrophobicContact CE1-CZ 4.28Å; F214-A300 HydrophobicContact CB-CB 3.73Å; F214-A300 HydrophobicContact CD2-CB 4.25Å; F214-A300 HydrophobicContact CG-CB 4.37Å; F214-L303 HydrophobicContact CD1-CD1 4.35Å; F214-L303 HydrophobicContact CD2-CB 4.1Å; F214-L303 HydrophobicContact CE1-CB 4.39Å; F214-L303 HydrophobicContact CE1-CD1 4Å; F214-L303 HydrophobicContact CE2-CB 3.39Å; F214-L303 HydrophobicContact CE2-CD1 4.34Å; F214-L303 HydrophobicContact CZ-CB 3.56Å; F214-L303 HydrophobicContact CZ-CD1 4Å; F214-L303 HydrophobicContact CZ-CG 4.41Å; F214-L304 HydrophobicContact CD2-CD1 4.45Å; F214-L304 HydrophobicContact CD2-CD2 3.93Å; F214-L304 HydrophobicContact CD2-CG 3.77Å; F214-L304 HydrophobicContact CE2-CD2 3.76Å; F214-L304 HydrophobicContact CE2-CG 3.78Å
215	P	97.8	Very high	96.8	Very high	83 Å²	83	53 Å²	53	54%	0.539	27%	0.272	S	S	.	.			trans	-71.2	129.5	-180	26.8	-29.6	0	0	0	110.7	L189	L189-P215 HydrophobicContact CD2-CG 3.67Å
216	V	98.6	Very high	96.6	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.079	29%	0.288	C	S	.	.			trans	-133.6	122.9	177.9	-174.4	0	0	0	0	109.1	A190 W192 M207 Q211 F214 V218 F245	A190-V216 HydrophobicContact CB-CG2 4.49Å; W192-V216 HydrophobicContact CB-CG1 3.94Å; M207-V216 HydrophobicContact CE-CG1 4.27Å; M207-V216 HydrophobicContact SD-CB 4.14Å; M207-V216 HydrophobicContact SD-CG1 4.09Å; M207-V216 HydrophobicContact SD-CG2 3.94Å; Q211-V216 HydrophobicContact CG-CB 4.2Å; Q211-V216 HydrophobicContact CG-CG2 4.28Å; Q211-V216 PolarHBondContact NE2-O 2.94Å; F214-V216 HydrophobicContact CD1-CG2 3.84Å; F214-V216 HydrophobicContact CE1-CG2 4.49Å; F214-V216 PolarHBondContact O-N 3.08Å; V216-V218 HydrophobicContact CG1-CG2 4.36Å; V216-V218 PolarHBondContact O-N 3.11Å; V216-F245 HydrophobicContact CB-CE2 4.48Å; V216-F245 HydrophobicContact CG1-CD2 3.77Å; V216-F245 HydrophobicContact CG1-CE2 4.06Å; V216-F245 HydrophobicContact CG2-CD2 4.1Å; V216-F245 HydrophobicContact CG2-CE2 3.55Å; V216-F245 HydrophobicContact CG2-CZ 4.19Å
217	D	98.3	Very high	96.2	Very high	57 Å²	57	58.8 Å²	58.8	31%	0.305	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	111.3	172.7	-75.5	-13	0	0	0	109.5	K188 A190 C191 W192 Y219 L225 Y241	K188-D217 IonicContact NZ-OD2 3.76Å; K188-D217 PolarHBondContact NZ-OD2 3.06Å; A190-D217 PolarHBondContact O-N 3.21Å; C191-D217 CarbonylContact C-O 3.58Å; C191-D217 VanDerWaalsContact CA-O 3.29Å; C191-D217 WeakPolarHBondContact CA-O 3.32Å; W192-D217 PolarHBondContact N-O 3.15Å; D217-Y219 HydrophobicContact CB-CD2 4.43Å; D217-Y219 HydrophobicContact CB-CE2 3.76Å; D217-L225 HydrophobicContact CB-CD1 3.69Å; D217-Y241 HydrophobicContact CB-CE1 3.9Å; D217-Y241 VanDerWaalsContact CB-OH 3.31Å; D217-Y241 WeakPolarHBondContact CB-OH 3.26Å; D217-Y241 WeakPolarHBondContact OD2-CE1 3.47Å; D217-Y241 PolarHBondContact OD2-OH 3.27Å
218	V	97.8	Very high	95.5	Very high	7 Å²	7	62 Å²	62	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.2	-177.9	-171.5	0	0	0	0	110.3	W192 V194 Q211 V216 L225	W192-V218 HydrophobicContact CB-CG2 4.49Å; W192-V218 HydrophobicContact CE3-CG1 3.79Å; W192-V218 HydrophobicContact CE3-CG2 4.07Å; W192-V218 HydrophobicContact CZ3-CG1 4.41Å; W192-V218 WeakPolarHBondContact O-CA 3.47Å; V194-V218 HydrophobicContact CG1-CG1 3.67Å; Q211-V218 VanDerWaalsContact NE2-CG2 3.28Å; V216-V218 HydrophobicContact CG1-CG2 4.36Å; V216-V218 PolarHBondContact O-N 3.11Å; V218-L225 WeakPolarHBondContact O-CB 3.42Å; V218-L225 PolarHBondContact O-N 2.95Å
219	Y	96	Very high	94.6	Very high	18 Å²	18	64.4 Å²	64.4	7%	0.071	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.8	178.8	-68.7	-89.7	0	0	0	111.8	K188 W192 F193 V194 D217 L225 C227 L237 Y241	K188-Y219 PolarHBondContact NZ-OH 3.43Å; W192-Y219 PolarHBondContact O-N 3.12Å; F193-Y219 CarbonylContact C-O 3.54Å; F193-Y219 WeakPolarHBondContact CA-O 3.31Å; F193-Y219 HydrophobicContact CD1-CD2 4.46Å; F193-Y219 HydrophobicContact CD1-CG 4.16Å; F193-Y219 HydrophobicContact CD2-CD2 4.45Å; F193-Y219 HydrophobicContact CE1-CD1 4.33Å; F193-Y219 AromaticContact CE1-CD2 3.92Å; F193-Y219 HydrophobicContact CE1-CD2 3.92Å; F193-Y219 AromaticContact CE1-CG 3.7Å; F193-Y219 HydrophobicContact CE1-CG 3.7Å; F193-Y219 AromaticContact CE2-CD2 3.89Å; F193-Y219 HydrophobicContact CE2-CD2 3.89Å; F193-Y219 HydrophobicContact CE2-CE2 4.47Å; F193-Y219 HydrophobicContact CE2-CG 4.48Å; F193-Y219 AromaticContact CZ-CD2 3.6Å; F193-Y219 HydrophobicContact CZ-CD2 3.6Å; F193-Y219 HydrophobicContact CZ-CE2 4.11Å; F193-Y219 AromaticContact CZ-CG 3.88Å; F193-Y219 HydrophobicContact CZ-CG 3.88Å; V194-Y219 PolarHBondContact N-O 3.01Å; D217-Y219 HydrophobicContact CB-CD2 4.43Å; D217-Y219 HydrophobicContact CB-CE2 3.76Å; Y219-L225 CarbonylContact C-O 3.56Å; Y219-L225 VanDerWaalsContact CA-O 3.28Å; Y219-L225 WeakPolarHBondContact CA-O 3.23Å; Y219-L225 HydrophobicContact CD1-CB 3.37Å; Y219-L225 HydrophobicContact CD1-CD1 4.34Å; Y219-L225 HydrophobicContact CD1-CG 4.49Å; Y219-L225 HydrophobicContact CD2-CB 4.49Å; Y219-L225 HydrophobicContact CD2-CD1 4.3Å; Y219-L225 HydrophobicContact CE1-CB 3.47Å; Y219-L225 VanDerWaalsContact CE1-CB 3.47Å; Y219-L225 HydrophobicContact CE1-CD1 3.87Å; Y219-L225 HydrophobicContact CE1-CG 4.25Å; Y219-L225 HydrophobicContact CE2-CD1 3.8Å; Y219-L225 HydrophobicContact CG-CB 3.93Å; Y219-C227 HydrophobicContact CD1-CB 3.73Å; Y219-C227 HydrophobicContact CE1-CB 4.47Å; Y219-C227 HydrophobicContact CG-CB 4.29Å; Y219-L237 HydrophobicContact CE1-CD2 3.92Å; Y219-L237 HydrophobicContact CE2-CD2 4.44Å; Y219-L237 WeakPolarHBondContact OH-CD2 3.25Å; Y219-Y241 HydrophobicContact CE2-CE2 4.46Å; Y219-Y241 VanDerWaalsContact CE2-OH 3.32Å; Y219-Y241 WeakPolarHBondContact CE2-OH 3.38Å; Y219-Y241 PolarHBondContact OH-OH 3.4Å; Y219-Y241 VanDerWaalsContact OH-OH 3.14Å
220	G	94	Very high	93.7	Very high	14 Å²	14	69.7 Å²	69.7	14%	0.144	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.2	-148.1	172.9	0	0	0	0	0	112.7	V194 L225 K226	V194-G220 CarbonylContact O-C 3.58Å; V194-G220 WeakPolarHBondContact O-CA 3.34Å; G220-L225 PolarHBondContact N-O 3.44Å; G220-K226 PolarHBondContact O-NZ 3.49Å
221	E	94.2	Very high	93.2	Very high	129 Å²	129	73.1 Å²	73.1	60%	0.603	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.3	-176.9	-61.7	-48.8	139.3	0	0	113.6	V194 K226	V194-E221 PolarHBondContact O-N 3.34Å; V194-E221 VanDerWaalsContact O-N 3.13Å; E221-K226 IonicContact OE1-NZ 3.63Å; E221-K226 IonicContact OE2-NZ 2.73Å; E221-K226 PolarHBondContact OE2-NZ 3.26Å
222	C	95	Very high	92.7	Very high	40 Å²	40	73.8 Å²	73.8	27%	0.27	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5	-177	-39.7	0	0	0	0	113.6	V194 N196 C197	V194-C222 HydrophobicContact CG1-CB 3.79Å; V194-C222 HydrophobicContact CG2-CB 4.47Å; V194-C222 PolarHBondContact O-N 3.02Å; N196-C222 VanDerWaalsContact C-SG 3.5Å; C197-C222 WeakPolarHBondContact CA-SG 3.46Å; C197-C222 HydrophobicContact CB-CB 3.78Å; C197-C222 WeakPolarHBondContact CB-SG 3.32Å; C197-C222 PolarHBondContact N-SG 2.62Å; C197-C222 WeakPolarHBondContact SG-CA 3.22Å; C197-C222 WeakPolarHBondContact SG-CB 3.33Å; C197-C222 PolarHBondContact SG-N 3.37Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.93Å
223	G	93	Very high	92.3	Very high	16 Å²	16	73 Å²	73	17%	0.165	39%	0.386	C	S	.	.	S	Bend	trans	-142.1	168.7	-175.5	0	0	0	0	0	112.5	L225	G223-L225 VanDerWaalsContact C-N 3.31Å; G223-L225 PolarHBondContact O-N 3.3Å
224	P	95.6	Very high	91.9	Very high	118 Å²	118	68.3 Å²	68.3	77%	0.766	37%	0.368	S	S	*	.	S	Bend	trans	-75	-21.9	-176.3	29.7	-34	0	0	0	112.9
225	L	96.2	Very high	91.5	Very high	58 Å²	58	71.5 Å²	71.5	30%	0.304	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-90.8	142.1	-176	-51.3	173.8	0	0	0	110.5	D217 V218 Y219 G220 G223	D217-L225 HydrophobicContact CB-CD1 3.69Å; V218-L225 WeakPolarHBondContact O-CB 3.42Å; V218-L225 PolarHBondContact O-N 2.95Å; Y219-L225 CarbonylContact C-O 3.56Å; Y219-L225 VanDerWaalsContact CA-O 3.28Å; Y219-L225 WeakPolarHBondContact CA-O 3.23Å; Y219-L225 HydrophobicContact CD1-CB 3.37Å; Y219-L225 HydrophobicContact CD1-CD1 4.34Å; Y219-L225 HydrophobicContact CD1-CG 4.49Å; Y219-L225 HydrophobicContact CD2-CB 4.49Å; Y219-L225 HydrophobicContact CD2-CD1 4.3Å; Y219-L225 HydrophobicContact CE1-CB 3.47Å; Y219-L225 VanDerWaalsContact CE1-CB 3.47Å; Y219-L225 HydrophobicContact CE1-CD1 3.87Å; Y219-L225 HydrophobicContact CE1-CG 4.25Å; Y219-L225 HydrophobicContact CE2-CD1 3.8Å; Y219-L225 HydrophobicContact CG-CB 3.93Å; G220-L225 PolarHBondContact N-O 3.44Å; G223-L225 VanDerWaalsContact C-N 3.31Å; G223-L225 PolarHBondContact O-N 3.3Å
226	K	92.6	Very high	91.2	Very high	130 Å²	130	71.8 Å²	71.8	57%	0.565	38%	0.38	S	S	*	.			trans	-111.9	136.4	179.1	-61.4	-60.4	-175.8	-177.7	0	110.8	G220 E221	G220-K226 PolarHBondContact O-NZ 3.49Å; E221-K226 IonicContact OE1-NZ 3.63Å; E221-K226 IonicContact OE2-NZ 2.73Å; E221-K226 PolarHBondContact OE2-NZ 3.26Å
227	C	89.5	Confident	90.9	Very high	29 Å²	29	72.5 Å²	72.5	20%	0.196	38%	0.384	C	S	.	.			trans	-153.2	111.5	174.1	-129.5	0	0	0	0	108.9	F193 Y219 C234	F193-C227 HydrophobicContact CD1-CB 4.47Å; F193-C227 HydrophobicContact CE1-CB 3.84Å; Y219-C227 HydrophobicContact CD1-CB 3.73Å; Y219-C227 HydrophobicContact CE1-CB 4.47Å; Y219-C227 HydrophobicContact CG-CB 4.29Å; C227-C234 WeakPolarHBondContact CA-SG 2.93Å; C227-C234 HydrophobicContact CB-CB 3.96Å; C227-C234 WeakPolarHBondContact CB-SG 3.07Å; C227-C234 WeakPolarHBondContact SG-CA 3.46Å; C227-C234 WeakPolarHBondContact SG-CB 3.36Å; C227-C234 CovalentContact SG-SG 2.01Å; C227-C234 PolarHBondContact SG-SG 2.95Å
228	S	84	Confident	90.7	Very high	67 Å²	67	71.2 Å²	71.2	47%	0.469	38%	0.376	S	S	.	.			trans	-71.4	144.7	174.7	-177.5	0	0	0	0	110.4	D230 N231 C234	S228-D230 PolarHBondContact O-N 3.09Å; S228-D230 PolarHBondContact OG-N 3.01Å; S228-N231 PolarHBondContact O-N 3.29Å; S228-C234 PolarHBondContact O-SG 3.25Å
229	R	77.3	Confident	90.6	Very high	210 Å²	210	76.3 Å²	76.3	79%	0.792	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.7	173.7	-68.7	-174.8	-176.7	-179.9	2.5	112	N231	R229-N231 PolarHBondContact O-N 2.95Å
230	D	79.1	Confident	90.6	Very high	149 Å²	149	76.4 Å²	76.4	80%	0.797	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.5	-178.5	-51.7	-43.5	0	0	0	112.8	S228 P232	S228-D230 PolarHBondContact O-N 3.09Å; S228-D230 PolarHBondContact OG-N 3.01Å; D230-P232 VanDerWaalsContact O-CD 3.27Å; D230-P232 WeakPolarHBondContact O-CD 3.29Å
231	N	86.1	Confident	90.9	Very high	72 Å²	72	75.8 Å²	75.8	39%	0.385	39%	0.394	S	S	.	.			trans	-89.7	111.5	178.6	-175.6	-14.2	0	0	0	110.2	S228 R229 H233 C234	S228-N231 PolarHBondContact O-N 3.29Å; R229-N231 PolarHBondContact O-N 2.95Å; N231-H233 PolarHBondContact O-N 3.38Å; N231-H233 VanDerWaalsContact O-N 3.11Å; N231-H233 WeakPolarHBondContact OD1-CB 3.38Å; N231-H233 PolarHBondContact OD1-N 2.73Å; N231-C234 VanDerWaalsContact O-CB 3.26Å; N231-C234 WeakPolarHBondContact O-CB 3.31Å; N231-C234 PolarHBondContact O-N 3.37Å
232	P	87.3	Confident	91.1	Very high	99 Å²	99	71 Å²	71	64%	0.643	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-26.4	179.1	-22.9	34.8	0	0	0	113.4	D230 C234 R235 T236	D230-P232 VanDerWaalsContact O-CD 3.27Å; D230-P232 WeakPolarHBondContact O-CD 3.29Å; P232-C234 PolarHBondContact O-N 2.78Å; P232-R235 PolarHBondContact O-N 3.45Å; P232-T236 PolarHBondContact O-N 3.32Å; P232-T236 PolarHBondContact O-OG1 3.04Å
233	H	90.1	Very high	91.2	Very high	119 Å²	119	69.1 Å²	69.1	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-59.4	-35.2	174.5	-174.5	75.4	0	0	0	111.7	N231 R235 T236 L237	N231-H233 PolarHBondContact O-N 3.38Å; N231-H233 VanDerWaalsContact O-N 3.11Å; N231-H233 WeakPolarHBondContact OD1-CB 3.38Å; N231-H233 PolarHBondContact OD1-N 2.73Å; H233-R235 VanDerWaalsContact C-N 3.32Å; H233-R235 PolarHBondContact O-N 3.36Å; H233-T236 PolarHBondContact O-N 3.36Å; H233-L237 VanDerWaalsContact O-CB 3.29Å; H233-L237 WeakPolarHBondContact O-CB 3.18Å; H233-L237 PolarHBondContact O-N 2.77Å
234	C	90.2	Very high	91.5	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.034	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-38.4	178.4	-66.2	0	0	0	0	112.4	C227 S228 N231 P232 L237 Q238	C227-C234 WeakPolarHBondContact CA-SG 2.93Å; C227-C234 HydrophobicContact CB-CB 3.96Å; C227-C234 WeakPolarHBondContact CB-SG 3.07Å; C227-C234 WeakPolarHBondContact SG-CA 3.46Å; C227-C234 WeakPolarHBondContact SG-CB 3.36Å; C227-C234 CovalentContact SG-SG 2.01Å; C227-C234 PolarHBondContact SG-SG 2.95Å; S228-C234 PolarHBondContact O-SG 3.25Å; N231-C234 VanDerWaalsContact O-CB 3.26Å; N231-C234 WeakPolarHBondContact O-CB 3.31Å; N231-C234 PolarHBondContact O-N 3.37Å; P232-C234 PolarHBondContact O-N 2.78Å; C234-L237 PolarHBondContact O-N 2.73Å; C234-Q238 WeakPolarHBondContact O-CG 3.17Å; C234-Q238 PolarHBondContact O-N 3.32Å; C234-Q238 VanDerWaalsContact O-N 3.12Å
235	R	88.7	Confident	91.7	Very high	69 Å²	69	63.5 Å²	63.5	26%	0.26	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-38	174.8	-174.5	65.8	-145.9	-164.7	-16.4	112	P232 H233 Q238 D262 D266	P232-R235 PolarHBondContact O-N 3.45Å; H233-R235 VanDerWaalsContact C-N 3.32Å; H233-R235 PolarHBondContact O-N 3.36Å; R235-Q238 VanDerWaalsContact NH1-OE1 3.12Å; R235-Q238 PolarHBondContact O-N 2.95Å; R235-D262 IonicContact CZ-OD2 3Å; R235-D262 VanDerWaalsContact NH1-CB 3.34Å; R235-D262 IonicContact NH1-OD1 3.73Å; R235-D262 IonicContact NH1-OD2 3.79Å; R235-D262 PolarHBondContact NH1-OD2 2.88Å; R235-D262 PolarHBondContact NH2-O 3.09Å; R235-D262 VanDerWaalsContact NH2-O 3.13Å; R235-D266 IonicContact CZ-OD1 2.66Å; R235-D266 IonicContact CZ-OD2 3.92Å; R235-D266 IonicContact NE-OD1 3.96Å; R235-D266 IonicContact NE-OD2 2.99Å; R235-D266 PolarHBondContact NE-OD2 3.36Å; R235-D266 IonicContact NH1-OD2 4Å; R235-D266 IonicContact NH2-OD1 3.23Å; R235-D266 PolarHBondContact NH2-OD1 3.1Å; R235-D266 IonicContact NH2-OD2 2.89Å; R235-D266 PolarHBondContact NH2-OD2 3.22Å
236	T	90.9	Very high	91.7	Very high	89 Å²	89	60.9 Å²	60.9	55%	0.546	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-41.4	175.4	-60.1	0	0	0	0	111.4	P232 H233 Q238 K239	P232-T236 PolarHBondContact O-N 3.32Å; P232-T236 PolarHBondContact O-OG1 3.04Å; H233-T236 PolarHBondContact O-N 3.36Å; T236-Q238 VanDerWaalsContact C-N 3.35Å; T236-Q238 PolarHBondContact O-N 3.22Å; T236-K239 WeakPolarHBondContact O-CB 3.18Å; T236-K239 PolarHBondContact O-N 3.44Å
237	L	93.5	Very high	92	Very high	28 Å²	28	54.7 Å²	54.7	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-40.9	177.7	177.7	62	0	0	0	112.3	K188 Y219 H233 C234 K239 S240 Y241	K188-L237 HydrophobicContact CD-CD1 4.4Å; Y219-L237 HydrophobicContact CE1-CD2 3.92Å; Y219-L237 HydrophobicContact CE2-CD2 4.44Å; Y219-L237 WeakPolarHBondContact OH-CD2 3.25Å; H233-L237 VanDerWaalsContact O-CB 3.29Å; H233-L237 WeakPolarHBondContact O-CB 3.18Å; H233-L237 PolarHBondContact O-N 2.77Å; C234-L237 PolarHBondContact O-N 2.73Å; L237-K239 PolarHBondContact O-N 2.79Å; L237-S240 WeakPolarHBondContact O-CB 3.2Å; L237-S240 PolarHBondContact O-N 3.36Å; L237-S240 PolarHBondContact O-OG 2.86Å; L237-Y241 HydrophobicContact CD1-CE2 4.33Å; L237-Y241 HydrophobicContact CG-CE2 4.2Å; L237-Y241 WeakPolarHBondContact O-CD2 3.38Å
238	Q	93.9	Very high	92.4	Very high	30 Å²	30	53.7 Å²	53.7	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-53.3	-35.7	176.1	-85	176	33	0	0	113.2	F193 C234 R235 T236 S240 Y241 H244	F193-Q238 HydrophobicContact CD2-CG 4.1Å; F193-Q238 HydrophobicContact CE1-CG 4.34Å; F193-Q238 HydrophobicContact CE2-CG 3.35Å; F193-Q238 HydrophobicContact CZ-CG 3.5Å; F193-Q238 VanDerWaalsContact CZ-CG 3.5Å; C234-Q238 WeakPolarHBondContact O-CG 3.17Å; C234-Q238 PolarHBondContact O-N 3.32Å; C234-Q238 VanDerWaalsContact O-N 3.12Å; R235-Q238 VanDerWaalsContact NH1-OE1 3.12Å; R235-Q238 PolarHBondContact O-N 2.95Å; T236-Q238 VanDerWaalsContact C-N 3.35Å; T236-Q238 PolarHBondContact O-N 3.22Å; Q238-S240 PolarHBondContact O-N 2.86Å; Q238-Y241 PolarHBondContact O-N 3.36Å; Q238-H244 PolarHBondContact O-NE2 3.23Å
239	K	95.4	Very high	93.1	Very high	113 Å²	113	51.5 Å²	51.5	49%	0.491	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.8	179.1	-62.2	176.2	-179.1	-177.7	0	113.9	K186 T236 L237 Y241 D266	K186-K239 PolarHBondContact NZ-O 2.81Å; T236-K239 WeakPolarHBondContact O-CB 3.18Å; T236-K239 PolarHBondContact O-N 3.44Å; L237-K239 PolarHBondContact O-N 2.79Å; K239-Y241 VanDerWaalsContact C-N 3.29Å; K239-Y241 PolarHBondContact O-N 3.48Å; K239-D266 WeakPolarHBondContact CE-OD1 3.41Å; K239-D266 HydrophobicContact CG-CB 4.09Å; K239-D266 VanDerWaalsContact CG-CG 3.5Å; K239-D266 WeakPolarHBondContact CG-OD1 3.41Å
240	S	97	Very high	94.1	Very high	21 Å²	21	41.5 Å²	41.5	15%	0.147	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.9	-179.2	71.9	0	0	0	0	114.2	K186 T187 K188 L237 Q238	K186-S240 CarbonylContact C-O 3.44Å; K186-S240 WeakPolarHBondContact CA-O 3Å; K186-S240 WeakPolarHBondContact CB-O 3.38Å; T187-S240 PolarHBondContact N-O 2.67Å; T187-S240 VanDerWaalsContact N-O 3.12Å; K188-S240 PolarHBondContact N-O 3.26Å; L237-S240 WeakPolarHBondContact O-CB 3.2Å; L237-S240 PolarHBondContact O-N 3.36Å; L237-S240 PolarHBondContact O-OG 2.86Å; Q238-S240 PolarHBondContact O-N 2.86Å
241	Y	98.5	Very high	95	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	147.3	-177.8	-69.6	-87.2	0	0	0	112.7	K186 K188 A190 C191 D217 Y219 L237 Q238 K239 S268	K186-Y241 WeakPolarHBondContact CD-O 3.14Å; K186-Y241 PolarHBondContact NZ-O 2.52Å; K188-Y241 HydrophobicContact CB-CD1 3.36Å; K188-Y241 HydrophobicContact CB-CD2 4.38Å; K188-Y241 HydrophobicContact CB-CE1 3.41Å; K188-Y241 VanDerWaalsContact CB-CE1 3.41Å; K188-Y241 HydrophobicContact CB-CE2 4.4Å; K188-Y241 HydrophobicContact CB-CG 3.9Å; K188-Y241 HydrophobicContact CD-CD1 4.2Å; K188-Y241 HydrophobicContact CD-CD2 4.39Å; K188-Y241 HydrophobicContact CD-CE1 3.48Å; K188-Y241 VanDerWaalsContact CD-CE1 3.48Å; K188-Y241 HydrophobicContact CD-CE2 3.68Å; K188-Y241 WeakPolarHBondContact CD-OH 3.47Å; K188-Y241 HydrophobicContact CG-CD1 4.46Å; K188-Y241 HydrophobicContact CG-CE1 4.12Å; K188-Y241 PolarHBondContact NZ-OH 3.48Å; K188-Y241 CarbonylContact O-C 3.5Å; K188-Y241 WeakPolarHBondContact O-CA 3.2Å; A190-Y241 VanDerWaalsContact C-CE1 3.49Å; A190-Y241 WeakPolarHBondContact O-CD1 3.23Å; A190-Y241 VanDerWaalsContact O-CE1 3.25Å; A190-Y241 WeakPolarHBondContact O-CE1 3.32Å; C191-Y241 HydrophobicContact CB-CD1 3.69Å; C191-Y241 HydrophobicContact CB-CD2 3.74Å; C191-Y241 HydrophobicContact CB-CE1 3.64Å; C191-Y241 HydrophobicContact CB-CE2 3.7Å; C191-Y241 HydrophobicContact CB-CG 3.73Å; D217-Y241 HydrophobicContact CB-CE1 3.9Å; D217-Y241 VanDerWaalsContact CB-OH 3.31Å; D217-Y241 WeakPolarHBondContact CB-OH 3.26Å; D217-Y241 WeakPolarHBondContact OD2-CE1 3.47Å; D217-Y241 PolarHBondContact OD2-OH 3.27Å; Y219-Y241 HydrophobicContact CE2-CE2 4.46Å; Y219-Y241 VanDerWaalsContact CE2-OH 3.32Å; Y219-Y241 WeakPolarHBondContact CE2-OH 3.38Å; Y219-Y241 PolarHBondContact OH-OH 3.4Å; Y219-Y241 VanDerWaalsContact OH-OH 3.14Å; L237-Y241 HydrophobicContact CD1-CE2 4.33Å; L237-Y241 HydrophobicContact CG-CE2 4.2Å; L237-Y241 WeakPolarHBondContact O-CD2 3.38Å; Q238-Y241 PolarHBondContact O-N 3.36Å; K239-Y241 VanDerWaalsContact C-N 3.29Å; K239-Y241 PolarHBondContact O-N 3.48Å; Y241-S268 PolarHBondContact O-OG 2.96Å
242	K	98.7	Very high	95.6	Very high	29 Å²	29	31.4 Å²	31.4	13%	0.126	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-38.6	170.5	-72.7	177.9	177.5	-109.4	0	112.3	K186 K188 L189 I269 A307 Y313	K186-K242 HydrophobicContact CB-CG 4.09Å; K186-K242 HydrophobicContact CD-CG 4.19Å; K188-K242 PolarHBondContact O-N 2.78Å; L189-K242 WeakPolarHBondContact O-CB 3.48Å; L189-K242 PolarHBondContact O-N 3.17Å; L189-K242 VanDerWaalsContact O-N 3.16Å; K242-I269 PolarHBondContact O-N 3.48Å; K242-A307 HydrophobicContact CD-CB 4.24Å; K242-A307 PolarHBondContact NZ-O 2.83Å; K242-Y313 WeakPolarHBondContact CA-OH 3.22Å; K242-Y313 HydrophobicContact CB-CE2 3.79Å; K242-Y313 HydrophobicContact CG-CE2 4.25Å; K242-Y313 PolarHBondContact O-OH 3.06Å
243	F	98.8	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.7	-177.7	-51.9	-75	0	0	0	111.8	L189 A190 C191 F214 I269 I271 I288 L303 L306 A307 Y313	L189-F243 HydrophobicContact CD1-CD2 4.21Å; L189-F243 HydrophobicContact CD1-CE2 3.97Å; L189-F243 WeakPolarHBondContact O-CD2 2.95Å; L189-F243 PolarHBondContact O-N 3.36Å; A190-F243 VanDerWaalsContact CA-O 3.24Å; A190-F243 WeakPolarHBondContact CA-O 3.46Å; A190-F243 HydrophobicContact CB-CB 3.85Å; A190-F243 HydrophobicContact CB-CD2 4.46Å; C191-F243 PolarHBondContact N-O 3.32Å; C191-F243 VanDerWaalsContact N-O 3.1Å; F214-F243 HydrophobicContact CZ-CD2 4.03Å; F214-F243 HydrophobicContact CZ-CE2 4.25Å; F243-I269 HydrophobicContact CD1-CB 3.96Å; F243-I269 HydrophobicContact CE1-CB 4.32Å; F243-I269 HydrophobicContact CE1-CD1 4.01Å; F243-I271 HydrophobicContact CB-CD1 4.3Å; F243-I271 HydrophobicContact CB-CG1 4.05Å; F243-I271 HydrophobicContact CD1-CD1 3.91Å; F243-I271 HydrophobicContact CG-CD1 4.44Å; F243-I288 HydrophobicContact CE1-CD1 4.32Å; F243-L303 HydrophobicContact CD1-CD2 3.93Å; F243-L303 HydrophobicContact CE1-CD2 3.77Å; F243-L303 HydrophobicContact CE2-CB 4.43Å; F243-L303 HydrophobicContact CG-CD2 4.39Å; F243-L303 HydrophobicContact CZ-CB 4.49Å; F243-L303 HydrophobicContact CZ-CD2 4.11Å; F243-L306 HydrophobicContact CE1-CD2 3.92Å; F243-L306 HydrophobicContact CE1-CG 4.4Å; F243-L306 HydrophobicContact CZ-CB 4.33Å; F243-L306 HydrophobicContact CZ-CD2 4.24Å; F243-L306 HydrophobicContact CZ-CG 4.27Å; F243-A307 HydrophobicContact CE2-CB 3.9Å; F243-A307 HydrophobicContact CZ-CB 4.31Å; F243-Y313 HydrophobicContact CD1-CE2 4.46Å; F243-Y313 HydrophobicContact CE1-CD2 4.25Å; F243-Y313 AromaticContact CE1-CE2 3.94Å; F243-Y313 HydrophobicContact CE1-CE2 3.94Å; F243-Y313 HydrophobicContact CZ-CD2 4.25Å; F243-Y313 HydrophobicContact CZ-CE2 4.16Å
244	H	98.6	Very high	96.4	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.046	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.7	173.8	-86.9	-133.9	0	0	0	109.2	C191 Q238 V246 A263 S268 I269 P270 I271	C191-H244 PolarHBondContact SG-CD2 3.27Å; Q238-H244 PolarHBondContact O-NE2 3.23Å; H244-V246 HydrophobicContact CB-CG1 4.09Å; H244-V246 PolarHBondContact O-N 3.07Å; H244-V246 VanDerWaalsContact O-N 3.16Å; H244-A263 HydrophobicContact CB-CB 3.66Å; H244-S268 WeakPolarHBondContact CD2-CB 3.35Å; H244-I269 PolarHBondContact N-O 2.93Å; H244-P270 CarbonylContact O-C 3.33Å; H244-P270 WeakPolarHBondContact O-CA 3.36Å; H244-I271 PolarHBondContact O-N 3.07Å
245	F	98.7	Very high	96.7	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.022	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108.3	169.7	-71.3	-86.2	0	0	0	108.8	A190 C191 W192 M207 L210 F214 V216 F247 I271 M299 L303	A190-F245 HydrophobicContact CB-CD2 4.09Å; A190-F245 HydrophobicContact CB-CE2 3.62Å; C191-F245 PolarHBondContact O-N 3.48Å; W192-F245 HydrophobicContact CB-CB 4.04Å; W192-F245 HydrophobicContact CG-CB 4.06Å; M207-F245 HydrophobicContact CE-CB 3.71Å; M207-F245 HydrophobicContact CE-CD1 3.72Å; M207-F245 HydrophobicContact CE-CD2 3.99Å; M207-F245 HydrophobicContact CE-CE1 4.35Å; M207-F245 HydrophobicContact CE-CG 3.52Å; L210-F245 HydrophobicContact CD2-CD1 4.31Å; L210-F245 HydrophobicContact CD2-CE1 3.31Å; L210-F245 HydrophobicContact CD2-CE2 4.31Å; L210-F245 HydrophobicContact CD2-CZ 3.34Å; F214-F245 HydrophobicContact CD1-CE2 4.31Å; F214-F245 HydrophobicContact CD1-CZ 4.25Å; F214-F245 HydrophobicContact CE1-CE2 4.17Å; F214-F245 HydrophobicContact CE1-CZ 4.28Å; V216-F245 HydrophobicContact CB-CE2 4.48Å; V216-F245 HydrophobicContact CG1-CD2 3.77Å; V216-F245 HydrophobicContact CG1-CE2 4.06Å; V216-F245 HydrophobicContact CG2-CD2 4.1Å; V216-F245 HydrophobicContact CG2-CE2 3.55Å; V216-F245 HydrophobicContact CG2-CZ 4.19Å; F245-F247 AromaticContact CD1-CE1 3.9Å; F245-F247 HydrophobicContact CD1-CE1 3.9Å; F245-F247 AromaticContact CD1-CE2 3.9Å; F245-F247 HydrophobicContact CD1-CE2 3.9Å; F245-F247 AromaticContact CD1-CZ 3.54Å; F245-F247 HydrophobicContact CD1-CZ 3.54Å; F245-F247 HydrophobicContact CE1-CZ 4.02Å; F245-I271 HydrophobicContact CD1-CB 3.62Å; F245-I271 HydrophobicContact CD1-CG1 4.18Å; F245-I271 HydrophobicContact CD1-CG2 3.7Å; F245-I271 HydrophobicContact CE1-CB 3.77Å; F245-I271 HydrophobicContact CE1-CG1 4.03Å; F245-I271 HydrophobicContact CE1-CG2 3.48Å; F245-I271 VanDerWaalsContact CE1-CG2 3.48Å; F245-I271 HydrophobicContact CG-CB 4.22Å; F245-I271 HydrophobicContact CZ-CB 4.46Å; F245-I271 HydrophobicContact CZ-CG1 4.23Å; F245-I271 HydrophobicContact CZ-CG2 4.37Å; F245-M299 HydrophobicContact CE1-CE 3.84Å; F245-M299 HydrophobicContact CZ-CE 4.39Å; F245-L303 HydrophobicContact CZ-CD1 3.99Å
246	V	98	Very high	97.1	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	11%	0.108	C	C	.	.			trans	-106.9	33.8	-178.1	-60.8	0	0	0	0	110.7	H244 E248 R259 F260 A263 P270 I271 V272	H244-V246 HydrophobicContact CB-CG1 4.09Å; H244-V246 PolarHBondContact O-N 3.07Å; H244-V246 VanDerWaalsContact O-N 3.16Å; V246-E248 PolarHBondContact O-N 3.33Å; V246-E248 VanDerWaalsContact O-N 3.13Å; V246-R259 HydrophobicContact CB-CB 4.11Å; V246-R259 HydrophobicContact CG1-CB 3.91Å; V246-R259 WeakPolarHBondContact CG1-O 3.35Å; V246-F260 HydrophobicContact CG2-CB 4.48Å; V246-F260 HydrophobicContact CG2-CD2 4.3Å; V246-A263 HydrophobicContact CG1-CB 4.27Å; V246-P270 HydrophobicContact CG1-CB 4.42Å; V246-P270 HydrophobicContact CG2-CB 3.75Å; V246-I271 WeakPolarHBondContact CG2-O 3.38Å; V246-I271 PolarHBondContact N-O 2.82Å; V246-V272 HydrophobicContact CG2-CG1 3.73Å
247	F	98.4	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.			trans	-58.4	119.2	179.9	-64.5	-15.8	0	0	0	111.1	R203 Y206 M207 F245 I271 L273 A290	R203-F247 HydrophobicContact CB-CB 3.72Å; R203-F247 HydrophobicContact CB-CD2 4.13Å; R203-F247 HydrophobicContact CB-CG 4.33Å; R203-F247 WeakPolarHBondContact CD-O 3.3Å; R203-F247 HydrophobicContact CG-CB 4.33Å; R203-F247 PolarHBondContact NH1-O 3.1Å; Y206-F247 AromaticContact CD1-CE2 3.59Å; Y206-F247 HydrophobicContact CD1-CE2 3.59Å; Y206-F247 AromaticContact CD1-CZ 3.72Å; Y206-F247 HydrophobicContact CD1-CZ 3.72Å; Y206-F247 HydrophobicContact CE1-CE2 4.25Å; Y206-F247 AromaticContact CE1-CZ 3.94Å; Y206-F247 HydrophobicContact CE1-CZ 3.94Å; Y206-F247 HydrophobicContact CG-CE2 4.32Å; M207-F247 HydrophobicContact CE-CD2 4.19Å; M207-F247 HydrophobicContact CE-CE2 3.94Å; F245-F247 AromaticContact CD1-CE1 3.9Å; F245-F247 HydrophobicContact CD1-CE1 3.9Å; F245-F247 AromaticContact CD1-CE2 3.9Å; F245-F247 HydrophobicContact CD1-CE2 3.9Å; F245-F247 AromaticContact CD1-CZ 3.54Å; F245-F247 HydrophobicContact CD1-CZ 3.54Å; F245-F247 HydrophobicContact CE1-CZ 4.02Å; F247-I271 WeakPolarHBondContact CD1-O 3.45Å; F247-I271 HydrophobicContact CE1-CG2 4.11Å; F247-I271 HydrophobicContact CZ-CG2 4.48Å; F247-L273 HydrophobicContact CB-CD1 4.25Å; F247-L273 HydrophobicContact CB-CG 4.06Å; F247-L273 HydrophobicContact CD1-CB 4.5Å; F247-L273 HydrophobicContact CD1-CD2 3.79Å; F247-L273 HydrophobicContact CD1-CG 3.62Å; F247-L273 HydrophobicContact CD2-CD2 3.94Å; F247-L273 HydrophobicContact CD2-CG 4.36Å; F247-L273 HydrophobicContact CE1-CD2 3.79Å; F247-L273 HydrophobicContact CE1-CG 4.06Å; F247-L273 HydrophobicContact CE2-CD2 3.97Å; F247-L273 HydrophobicContact CG-CD1 4.42Å; F247-L273 HydrophobicContact CG-CD2 3.85Å; F247-L273 HydrophobicContact CG-CG 3.77Å; F247-L273 HydrophobicContact CZ-CD2 3.87Å; F247-A290 HydrophobicContact CE1-CB 4.44Å; F247-A290 HydrophobicContact CZ-CB 4.41Å
248	E	97.9	Very high	97.4	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.037	8%	0.083	C	C	.	.			trans	-76.4	151.6	-179.8	-61.3	-63.1	178.7	0	0	112.4	S201 R203 V246 S250 F255 T257 Y278	S201-E248 WeakPolarHBondContact CB-O 3.5Å; S201-E248 PolarHBondContact OG-O 3.42Å; R203-E248 WeakPolarHBondContact CD-O 3.43Å; V246-E248 PolarHBondContact O-N 3.33Å; V246-E248 VanDerWaalsContact O-N 3.13Å; E248-S250 VanDerWaalsContact CB-O 3.31Å; E248-S250 WeakPolarHBondContact CB-O 3.22Å; E248-S250 PolarHBondContact O-N 1.98Å; E248-S250 VanDerWaalsContact O-N 3.11Å; E248-F255 HydrophobicContact CB-CD1 4.08Å; E248-F255 HydrophobicContact CB-CE1 4.17Å; E248-F255 HydrophobicContact CG-CD1 4.36Å; E248-T257 VanDerWaalsContact CD-CG2 3.48Å; E248-T257 VanDerWaalsContact CD-OG1 3.25Å; E248-T257 WeakPolarHBondContact OE1-CA 3.42Å; E248-T257 WeakPolarHBondContact OE1-CB 2.97Å; E248-T257 WeakPolarHBondContact OE1-CG2 3.25Å; E248-T257 PolarHBondContact OE1-N 2.84Å; E248-T257 PolarHBondContact OE1-OG1 3.13Å; E248-T257 WeakPolarHBondContact OE2-CG2 3.35Å; E248-T257 PolarHBondContact OE2-OG1 3.32Å; E248-Y278 VanDerWaalsContact CG-OH 3.29Å; E248-Y278 WeakPolarHBondContact CG-OH 3.47Å
249	N	98.1	Very high	97.4	Very high	21 Å²	21	18 Å²	18	11%	0.112	9%	0.089	C	C	.	.	S	Bend	trans	-68.6	-4.2	177.3	69.3	1.2	0	0	0	113.1	Y131 T199 S200 S201 F255	Y131-N249 HydrophobicContact CE2-CB 4.28Å; Y131-N249 VanDerWaalsContact CE2-CG 3.43Å; Y131-N249 VanDerWaalsContact CE2-ND2 3.26Å; Y131-N249 WeakPolarHBondContact CE2-ND2 3.48Å; Y131-N249 PolarHBondContact OH-O 3.44Å; T199-N249 HydrophobicContact CG2-CB 3.86Å; S200-N249 PolarHBondContact N-O 3.01Å; S201-N249 PolarHBondContact N-O 2.82Å; N249-F255 VanDerWaalsContact OD1-CE1 3.31Å; N249-F255 WeakPolarHBondContact OD1-CE1 3.36Å
250	S	98.4	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-152.2	135.1	178.7	-66.8	0	0	0	0	108.3	S128 H130 Y131 E248	S128-S250 VanDerWaalsContact OG-CB 3.22Å; S128-S250 WeakPolarHBondContact OG-CB 3.48Å; S128-S250 PolarHBondContact OG-OG 2.95Å; H130-S250 PolarHBondContact CD2-OG 3.48Å; Y131-S250 WeakPolarHBondContact CE2-OG 3.35Å; E248-S250 VanDerWaalsContact CB-O 3.31Å; E248-S250 WeakPolarHBondContact CB-O 3.22Å; E248-S250 PolarHBondContact O-N 1.98Å; E248-S250 VanDerWaalsContact O-N 3.11Å
251	V	98.3	Very high	97.5	Very high	8 Å²	8	11.6 Å²	11.6	5%	0.048	6%	0.059	C	C	.	.			trans	-99	92.8	171.5	-174.8	0	0	0	0	106.6	L273 K274 I277 C372 Y373 Y376	V251-L273 HydrophobicContact CG2-CB 4.22Å; V251-L273 HydrophobicContact CG2-CD1 3.68Å; V251-K274 HydrophobicContact CG1-CB 3.73Å; V251-K274 HydrophobicContact CG1-CD 3.83Å; V251-K274 HydrophobicContact CG1-CG 4.37Å; V251-I277 HydrophobicContact CG1-CG1 3.97Å; V251-C372 CarbonylContact O-C 3.59Å; V251-C372 VanDerWaalsContact O-CA 3.25Å; V251-C372 WeakPolarHBondContact O-CA 3.4Å; V251-Y373 HydrophobicContact CG1-CD2 3.93Å; V251-Y373 HydrophobicContact CG1-CG 4.47Å; V251-Y373 PolarHBondContact O-N 3.41Å; V251-Y376 HydrophobicContact CG1-CD1 4.16Å; V251-Y376 HydrophobicContact CG1-CG 4.42Å; V251-Y376 HydrophobicContact CG2-CD1 4.14Å; V251-Y376 HydrophobicContact CG2-CG 4.4Å
252	C	98.3	Very high	97.3	Very high	1 Å²	1	14 Å²	14	1%	0.007	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-129.1	154.2	-177.3	-59	0	0	0	0	111.2	D254 F255 I277 H371 C372	C252-D254 PolarHBondContact O-N 3Å; C252-F255 HydrophobicContact CB-CB 3.99Å; C252-F255 PolarHBondContact O-N 3.2Å; C252-I277 WeakPolarHBondContact O-CD1 3.47Å; C252-I277 WeakPolarHBondContact O-CG2 3.45Å; C252-H371 CarbonylContact C-O 3.6Å; C252-H371 WeakPolarHBondContact CA-O 3.4Å; C252-C372 HydrophobicContact CB-CB 4.05Å; C252-C372 WeakPolarHBondContact CB-SG 3.36Å; C252-C372 WeakPolarHBondContact SG-CB 3.2Å; C252-C372 CovalentContact SG-SG 2.04Å; C252-C372 PolarHBondContact SG-SG 3.46Å
253	T	96.8	Very high	97.3	Very high	43 Å²	43	12.6 Å²	12.6	26%	0.264	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	125.6	172.8	-59.9	0	0	0	0	110.5	F255 H371	T253-F255 PolarHBondContact O-N 3.21Å; T253-F255 VanDerWaalsContact O-N 3.07Å; T253-H371 PolarHBondContact N-O 3.41Å; T253-H371 PolarHBondContact OG1-O 2.81Å
254	D	96.7	Very high	97.2	Very high	15 Å²	15	12.6 Å²	12.6	8%	0.08	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	2	178.3	-54	-17.9	0	0	0	116.4	Y151 R153 C252 V256	Y151-D254 HydrophobicContact CD2-CB 4.19Å; Y151-D254 WeakPolarHBondContact CD2-O 3.19Å; Y151-D254 HydrophobicContact CE2-CB 4.38Å; R153-D254 WeakPolarHBondContact CB-OD2 3.34Å; R153-D254 IonicContact CZ-OD1 2.84Å; R153-D254 PolarHBondContact N-OD2 3.13Å; R153-D254 IonicContact NE-OD1 2.75Å; R153-D254 PolarHBondContact NE-OD1 3.49Å; R153-D254 IonicContact NE-OD2 2.71Å; R153-D254 PolarHBondContact NE-OD2 3.13Å; R153-D254 IonicContact NH2-OD1 3.65Å; R153-D254 PolarHBondContact NH2-OD1 2.96Å; R153-D254 IonicContact NH2-OD2 3.19Å; C252-D254 PolarHBondContact O-N 3Å; D254-V256 PolarHBondContact O-N 2.71Å
255	F	97.8	Very high	97	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	8%	0.082	C	C	.	.			trans	-80.7	89.6	-179.2	-168	-114.4	0	0	0	110.9	Y151 F161 E248 N249 C252 T253 T257	Y151-F255 AromaticContact CD1-CD2 3.74Å; Y151-F255 HydrophobicContact CD1-CD2 3.74Å; Y151-F255 HydrophobicContact CD1-CE2 4.13Å; Y151-F255 HydrophobicContact CD2-CB 4.4Å; Y151-F255 HydrophobicContact CD2-CD2 4.19Å; Y151-F255 AromaticContact CE1-CD2 3.28Å; Y151-F255 HydrophobicContact CE1-CD2 3.28Å; Y151-F255 AromaticContact CE1-CE2 3.75Å; Y151-F255 HydrophobicContact CE1-CE2 3.75Å; Y151-F255 HydrophobicContact CE1-CG 4.34Å; Y151-F255 HydrophobicContact CE2-CB 3.72Å; Y151-F255 AromaticContact CE2-CD2 3.82Å; Y151-F255 HydrophobicContact CE2-CD2 3.82Å; Y151-F255 HydrophobicContact CE2-CG 4.27Å; Y151-F255 HydrophobicContact CG-CD2 4.17Å; Y151-F255 AromaticContact CZ-CD2 3.34Å; Y151-F255 AromaticContact CZ-CG 3.99Å; F161-F255 HydrophobicContact CE2-CD2 4.24Å; F161-F255 AromaticContact CE2-CE2 3.85Å; F161-F255 HydrophobicContact CE2-CE2 3.85Å; F161-F255 HydrophobicContact CZ-CE2 4.29Å; E248-F255 HydrophobicContact CB-CD1 4.08Å; E248-F255 HydrophobicContact CB-CE1 4.17Å; E248-F255 HydrophobicContact CG-CD1 4.36Å; N249-F255 VanDerWaalsContact OD1-CE1 3.31Å; N249-F255 WeakPolarHBondContact OD1-CE1 3.36Å; C252-F255 HydrophobicContact CB-CB 3.99Å; C252-F255 PolarHBondContact O-N 3.2Å; T253-F255 PolarHBondContact O-N 3.21Å; T253-F255 VanDerWaalsContact O-N 3.07Å; F255-T257 HydrophobicContact CE1-CG2 4.2Å; F255-T257 HydrophobicContact CE2-CG2 4.32Å; F255-T257 HydrophobicContact CZ-CG2 3.96Å
256	V	97.3	Very high	96.9	Very high	4 Å²	4	16 Å²	16	2%	0.024	8%	0.083	C	C	.	.			trans	-128.7	112.8	177.6	177.7	0	0	0	0	107.8	F161 D254 F260 F261 I277 Y278 V281	F161-V256 WeakPolarHBondContact CD2-O 3.43Å; D254-V256 PolarHBondContact O-N 2.71Å; V256-F260 HydrophobicContact CG1-CB 3.55Å; V256-F260 HydrophobicContact CG1-CD1 3.78Å; V256-F260 HydrophobicContact CG1-CD2 4.47Å; V256-F260 HydrophobicContact CG1-CG 3.68Å; V256-F261 HydrophobicContact CG1-CE2 4Å; V256-F261 HydrophobicContact CG1-CZ 4.39Å; V256-I277 HydrophobicContact CG2-CG2 4.02Å; V256-Y278 HydrophobicContact CB-CD1 4.37Å; V256-Y278 HydrophobicContact CB-CE1 4.23Å; V256-Y278 HydrophobicContact CG1-CD1 3.79Å; V256-Y278 HydrophobicContact CG1-CE1 3.71Å; V256-Y278 HydrophobicContact CG2-CD1 3.66Å; V256-Y278 HydrophobicContact CG2-CE1 3.75Å; V256-Y278 HydrophobicContact CG2-CG 4.11Å; V256-V281 HydrophobicContact CB-CG1 4.18Å; V256-V281 HydrophobicContact CG1-CG1 4.14Å; V256-V281 HydrophobicContact CG2-CB 4.36Å; V256-V281 HydrophobicContact CG2-CG1 4.33Å; V256-V281 HydrophobicContact CG2-CG2 4.2Å
257	T	95.9	Very high	96.8	Very high	17 Å²	17	16.3 Å²	16.3	10%	0.104	9%	0.085	C	C	.	.			trans	-87.5	174.1	-174.3	71.4	0	0	0	0	112.8	F161 E248 F255 R259 F260	F161-T257 HydrophobicContact CD2-CG2 4.16Å; F161-T257 HydrophobicContact CE2-CG2 4.02Å; F161-T257 HydrophobicContact CZ-CG2 4.23Å; E248-T257 VanDerWaalsContact CD-CG2 3.48Å; E248-T257 VanDerWaalsContact CD-OG1 3.25Å; E248-T257 WeakPolarHBondContact OE1-CA 3.42Å; E248-T257 WeakPolarHBondContact OE1-CB 2.97Å; E248-T257 WeakPolarHBondContact OE1-CG2 3.25Å; E248-T257 PolarHBondContact OE1-N 2.84Å; E248-T257 PolarHBondContact OE1-OG1 3.13Å; E248-T257 WeakPolarHBondContact OE2-CG2 3.35Å; E248-T257 PolarHBondContact OE2-OG1 3.32Å; F255-T257 HydrophobicContact CE1-CG2 4.2Å; F255-T257 HydrophobicContact CE2-CG2 4.32Å; F255-T257 HydrophobicContact CZ-CG2 3.96Å; T257-R259 PolarHBondContact O-N 2.82Å; T257-F260 PolarHBondContact O-N 3.27Å; T257-F260 VanDerWaalsContact O-N 3.1Å
258	G	94.3	Very high	96.8	Very high	6 Å²	6	16.3 Å²	16.3	6%	0.062	9%	0.085	C	C	.	.	H	α-helix	trans	-54.6	-25.5	-179.2	0	0	0	0	0	113.5	F161 F260 F261 D262	F161-G258 VanDerWaalsContact CB-N 3.35Å; G258-F260 VanDerWaalsContact C-N 3.26Å; G258-F260 PolarHBondContact O-N 2.83Å; G258-F261 PolarHBondContact O-N 3.06Å; G258-F261 VanDerWaalsContact O-N 3.12Å; G258-D262 VanDerWaalsContact O-CB 3.28Å; G258-D262 WeakPolarHBondContact O-CB 3.29Å; G258-D262 VanDerWaalsContact O-CG 3.27Å; G258-D262 PolarHBondContact O-N 3.08Å
259	R	94.5	Very high	96.9	Very high	68 Å²	68	15.9 Å²	15.9	26%	0.257	8%	0.083	S	C	.	.	H	α-helix	trans	-55.8	-39.1	177.4	-61.2	176.1	-177.4	-153.4	-9	113	F193 V246 T257 A263	F193-R259 PolarHBondContact O-NH1 2.92Å; F193-R259 PolarHBondContact O-NH2 3.31Å; V246-R259 HydrophobicContact CB-CB 4.11Å; V246-R259 HydrophobicContact CG1-CB 3.91Å; V246-R259 WeakPolarHBondContact CG1-O 3.35Å; T257-R259 PolarHBondContact O-N 2.82Å; R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 3.46Å; R259-A263 VanDerWaalsContact O-N 3.08Å
260	F	97.5	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-48.5	178.1	175.6	-97.5	0	0	0	111.1	V246 V256 T257 G258 A263 L264 P270 V272 Y278 F287	V246-F260 HydrophobicContact CG2-CB 4.48Å; V246-F260 HydrophobicContact CG2-CD2 4.3Å; V256-F260 HydrophobicContact CG1-CB 3.55Å; V256-F260 HydrophobicContact CG1-CD1 3.78Å; V256-F260 HydrophobicContact CG1-CD2 4.47Å; V256-F260 HydrophobicContact CG1-CG 3.68Å; T257-F260 PolarHBondContact O-N 3.27Å; T257-F260 VanDerWaalsContact O-N 3.1Å; G258-F260 VanDerWaalsContact C-N 3.26Å; G258-F260 PolarHBondContact O-N 2.83Å; F260-A263 PolarHBondContact O-N 3.02Å; F260-L264 HydrophobicContact CD1-CD1 4.18Å; F260-L264 HydrophobicContact CE1-CD1 3.61Å; F260-L264 HydrophobicContact CZ-CD1 3.97Å; F260-L264 WeakPolarHBondContact O-CG 3.04Å; F260-L264 PolarHBondContact O-N 2.8Å; F260-P270 HydrophobicContact CD2-CB 3.7Å; F260-P270 HydrophobicContact CD2-CG 3.96Å; F260-P270 HydrophobicContact CE2-CB 3.94Å; F260-P270 HydrophobicContact CE2-CG 3.93Å; F260-V272 HydrophobicContact CD2-CG1 4.06Å; F260-V272 HydrophobicContact CE2-CG1 4.23Å; F260-Y278 HydrophobicContact CB-CE1 4.38Å; F260-Y278 AromaticContact CD2-CD1 3.51Å; F260-Y278 HydrophobicContact CD2-CD1 3.51Å; F260-Y278 AromaticContact CD2-CE1 3.77Å; F260-Y278 HydrophobicContact CD2-CE1 3.77Å; F260-Y278 AromaticContact CE2-CD1 3.68Å; F260-Y278 HydrophobicContact CE2-CD1 3.68Å; F260-Y278 HydrophobicContact CE2-CE1 4.37Å; F260-Y278 HydrophobicContact CG-CD1 4.06Å; F260-Y278 HydrophobicContact CG-CE1 4.21Å; F260-Y278 HydrophobicContact CZ-CD1 4.37Å; F260-F287 HydrophobicContact CE2-CB 3.8Å; F260-F287 AromaticContact CE2-CD1 3.92Å; F260-F287 HydrophobicContact CE2-CD1 3.92Å; F260-F287 AromaticContact CE2-CG 3.99Å; F260-F287 HydrophobicContact CE2-CG 3.99Å; F260-F287 HydrophobicContact CZ-CB 4.42Å; F260-F287 AromaticContact CZ-CD1 3.87Å; F260-F287 HydrophobicContact CZ-CD1 3.87Å; F260-F287 HydrophobicContact CZ-CG 4.4Å
261	F	96.8	Very high	96.9	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-69.8	-37.4	-178.6	-60.6	-79	0	0	0	112.3	G162 Y163 M164 V256 G258 L264 I265 V281 S325	G162-F261 VanDerWaalsContact C-CE2 3.49Å; G162-F261 VanDerWaalsContact CA-CD2 3.47Å; G162-F261 VanDerWaalsContact CA-CE2 3.43Å; G162-F261 WeakPolarHBondContact O-CZ 3.39Å; Y163-F261 VanDerWaalsContact N-CE1 3.32Å; M164-F261 HydrophobicContact SD-CD1 4.24Å; M164-F261 HydrophobicContact SD-CE1 4.26Å; V256-F261 HydrophobicContact CG1-CE2 4Å; V256-F261 HydrophobicContact CG1-CZ 4.39Å; G258-F261 PolarHBondContact O-N 3.06Å; G258-F261 VanDerWaalsContact O-N 3.12Å; F261-L264 WeakPolarHBondContact O-CB 3.49Å; F261-L264 PolarHBondContact O-N 3Å; F261-I265 VanDerWaalsContact O-CG1 3.28Å; F261-I265 WeakPolarHBondContact O-CG1 3.33Å; F261-I265 PolarHBondContact O-N 3.47Å; F261-V281 HydrophobicContact CE1-CG1 4.26Å; F261-V281 HydrophobicContact CE2-CG1 4.43Å; F261-V281 HydrophobicContact CZ-CG1 3.54Å; F261-S325 WeakPolarHBondContact CA-OG 3.29Å; F261-S325 WeakPolarHBondContact CB-OG 3.42Å; F261-S325 PolarHBondContact O-OG 3.41Å
262	D	94.7	Very high	97	Very high	50 Å²	50	14.5 Å²	14.5	27%	0.267	8%	0.076	S	C	.	.	H	α-helix	trans	-61.3	-42.7	174.8	-83.2	3.8	0	0	0	112.7	R235 G258 L264 I265 D266	R235-D262 IonicContact CZ-OD2 3Å; R235-D262 VanDerWaalsContact NH1-CB 3.34Å; R235-D262 IonicContact NH1-OD1 3.73Å; R235-D262 IonicContact NH1-OD2 3.79Å; R235-D262 PolarHBondContact NH1-OD2 2.88Å; R235-D262 PolarHBondContact NH2-O 3.09Å; R235-D262 VanDerWaalsContact NH2-O 3.13Å; G258-D262 VanDerWaalsContact O-CB 3.28Å; G258-D262 WeakPolarHBondContact O-CB 3.29Å; G258-D262 VanDerWaalsContact O-CG 3.27Å; G258-D262 PolarHBondContact O-N 3.08Å; D262-L264 VanDerWaalsContact C-N 3.33Å; D262-I265 PolarHBondContact O-N 3.09Å; D262-D266 WeakPolarHBondContact O-CB 3.28Å; D262-D266 PolarHBondContact O-N 3.07Å
263	A	96.9	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.2	-42.8	175.5	0	0	0	0	0	111.1	H244 V246 R259 F260 I265 D266 V267 S268 P270	H244-A263 HydrophobicContact CB-CB 3.66Å; V246-A263 HydrophobicContact CG1-CB 4.27Å; R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 3.46Å; R259-A263 VanDerWaalsContact O-N 3.08Å; F260-A263 PolarHBondContact O-N 3.02Å; A263-I265 PolarHBondContact O-N 2.59Å; A263-D266 CarbonylContact O-C 3.34Å; A263-D266 PolarHBondContact O-N 3.27Å; A263-V267 PolarHBondContact O-N 2.75Å; A263-S268 CarbonylContact C-O 3.57Å; A263-S268 PolarHBondContact O-N 3.23Å; A263-P270 HydrophobicContact CB-CB 4.12Å; A263-P270 HydrophobicContact CB-CG 3.84Å
264	L	97.4	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.2	-65.9	178.3	0	0	0	112.4	M164 F260 F261 D262 D266 V267 P270 W319	M164-L264 HydrophobicContact CE-CD1 4.44Å; M164-L264 HydrophobicContact SD-CD1 4.02Å; F260-L264 HydrophobicContact CD1-CD1 4.18Å; F260-L264 HydrophobicContact CE1-CD1 3.61Å; F260-L264 HydrophobicContact CZ-CD1 3.97Å; F260-L264 WeakPolarHBondContact O-CG 3.04Å; F260-L264 PolarHBondContact O-N 2.8Å; F261-L264 WeakPolarHBondContact O-CB 3.49Å; F261-L264 PolarHBondContact O-N 3Å; D262-L264 VanDerWaalsContact C-N 3.33Å; L264-D266 VanDerWaalsContact C-N 3.3Å; L264-D266 PolarHBondContact O-N 2.92Å; L264-V267 PolarHBondContact O-N 3.37Å; L264-P270 HydrophobicContact CD2-CG 3.66Å; L264-P270 HydrophobicContact CG-CG 3.89Å; L264-W319 HydrophobicContact CB-CH2 3.88Å; L264-W319 HydrophobicContact CB-CZ2 3.7Å; L264-W319 HydrophobicContact CD1-CZ2 4.35Å; L264-W319 HydrophobicContact CD2-CZ2 3.7Å; L264-W319 HydrophobicContact CG-CZ2 4.12Å
265	I	95.4	Very high	97.1	Very high	78 Å²	78	15.7 Å²	15.7	40%	0.4	8%	0.075	S	C	.	.	H	α-helix	trans	-61	-41	175.5	-69.9	163.3	0	0	0	110.8	F261 D262 A263 V267	F261-I265 VanDerWaalsContact O-CG1 3.28Å; F261-I265 WeakPolarHBondContact O-CG1 3.33Å; F261-I265 PolarHBondContact O-N 3.47Å; D262-I265 PolarHBondContact O-N 3.09Å; A263-I265 PolarHBondContact O-N 2.59Å; I265-V267 PolarHBondContact O-N 2.04Å
266	D	95.8	Very high	97	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	8	-179.9	-73.2	-7.3	0	0	0	113.6	K186 R235 K239 D262 A263 L264 S268	K186-D266 PolarHBondContact NZ-O 2.89Å; R235-D266 IonicContact CZ-OD1 2.66Å; R235-D266 IonicContact CZ-OD2 3.92Å; R235-D266 IonicContact NE-OD1 3.96Å; R235-D266 IonicContact NE-OD2 2.99Å; R235-D266 PolarHBondContact NE-OD2 3.36Å; R235-D266 IonicContact NH1-OD2 4Å; R235-D266 IonicContact NH2-OD1 3.23Å; R235-D266 PolarHBondContact NH2-OD1 3.1Å; R235-D266 IonicContact NH2-OD2 2.89Å; R235-D266 PolarHBondContact NH2-OD2 3.22Å; K239-D266 WeakPolarHBondContact CE-OD1 3.41Å; K239-D266 HydrophobicContact CG-CB 4.09Å; K239-D266 VanDerWaalsContact CG-CG 3.5Å; K239-D266 WeakPolarHBondContact CG-OD1 3.41Å; D262-D266 WeakPolarHBondContact O-CB 3.28Å; D262-D266 PolarHBondContact O-N 3.07Å; A263-D266 CarbonylContact O-C 3.34Å; A263-D266 PolarHBondContact O-N 3.27Å; L264-D266 VanDerWaalsContact C-N 3.3Å; L264-D266 PolarHBondContact O-N 2.92Å; D266-S268 PolarHBondContact O-N 3.26Å; D266-S268 PolarHBondContact O-OG 2.92Å
267	V	96.8	Very high	97	Very high	10 Å²	10	22.4 Å²	22.4	6%	0.061	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	39	-176.5	-165.5	0	0	0	0	110.5	L179 I182 K186 A263 L264 I265 Y313 F317 M320	L179-V267 HydrophobicContact CD1-CG1 3.35Å; I182-V267 HydrophobicContact CG2-CB 3.99Å; I182-V267 HydrophobicContact CG2-CG1 4.16Å; I182-V267 HydrophobicContact CG2-CG2 4.03Å; K186-V267 WeakPolarHBondContact CE-O 3.31Å; K186-V267 PolarHBondContact NZ-O 3.17Å; A263-V267 PolarHBondContact O-N 2.75Å; L264-V267 PolarHBondContact O-N 3.37Å; I265-V267 PolarHBondContact O-N 2.04Å; V267-Y313 PolarHBondContact O-OH 3.09Å; V267-F317 VanDerWaalsContact CA-CE1 3.5Å; V267-F317 HydrophobicContact CB-CE1 4.28Å; V267-F317 HydrophobicContact CG1-CD1 3.83Å; V267-F317 HydrophobicContact CG1-CD2 4.12Å; V267-F317 HydrophobicContact CG1-CE1 3.84Å; V267-F317 HydrophobicContact CG1-CE2 4.12Å; V267-F317 HydrophobicContact CG1-CG 3.97Å; V267-F317 HydrophobicContact CG1-CZ 3.96Å; V267-F317 WeakPolarHBondContact O-CZ 3.46Å; V267-M320 HydrophobicContact CG2-CE 4.18Å; V267-M320 HydrophobicContact CG2-SD 4.33Å
268	S	98.3	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.			trans	-113.7	138.8	176.5	-52.9	0	0	0	0	108.4	K186 Y241 H244 A263 D266 P270	K186-S268 PolarHBondContact NZ-OG 2.58Å; K186-S268 VanDerWaalsContact NZ-OG 3.08Å; Y241-S268 PolarHBondContact O-OG 2.96Å; H244-S268 WeakPolarHBondContact CD2-CB 3.35Å; A263-S268 CarbonylContact C-O 3.57Å; A263-S268 PolarHBondContact O-N 3.23Å; D266-S268 PolarHBondContact O-N 3.26Å; D266-S268 PolarHBondContact O-OG 2.92Å; S268-P270 VanDerWaalsContact O-CD 3.23Å; S268-P270 WeakPolarHBondContact O-CD 3.49Å
269	I	98.7	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.6	-178.8	-57.6	173.9	0	0	0	107.9	K242 F243 H244 I271 I288 L306 Y313 Y316 F317	K242-I269 PolarHBondContact O-N 3.48Å; F243-I269 HydrophobicContact CD1-CB 3.96Å; F243-I269 HydrophobicContact CE1-CB 4.32Å; F243-I269 HydrophobicContact CE1-CD1 4.01Å; H244-I269 PolarHBondContact N-O 2.93Å; I269-I271 HydrophobicContact CG2-CD1 4.38Å; I269-I271 PolarHBondContact O-N 3.38Å; I269-I288 HydrophobicContact CG2-CD1 3.71Å; I269-I288 HydrophobicContact CG2-CG1 3.89Å; I269-L306 HydrophobicContact CD1-CD2 3.93Å; I269-Y313 HydrophobicContact CD1-CD2 3.52Å; I269-Y313 HydrophobicContact CD1-CE2 3.4Å; I269-Y313 VanDerWaalsContact CD1-CE2 3.4Å; I269-Y313 HydrophobicContact CD1-CG 4.22Å; I269-Y313 HydrophobicContact CG1-CD2 4.35Å; I269-Y313 HydrophobicContact CG1-CE2 3.76Å; I269-Y316 HydrophobicContact CD1-CD1 4.14Å; I269-Y316 HydrophobicContact CD1-CD2 3.67Å; I269-Y316 HydrophobicContact CD1-CE2 4.4Å; I269-Y316 HydrophobicContact CD1-CG 3.52Å; I269-Y316 HydrophobicContact CG1-CD1 4.5Å; I269-Y316 HydrophobicContact CG1-CG 4.12Å; I269-Y316 HydrophobicContact CG2-CD1 4Å; I269-Y316 HydrophobicContact CG2-CE1 4.43Å; I269-Y316 HydrophobicContact CG2-CG 4.44Å; I269-F317 HydrophobicContact CD1-CE2 4.32Å; I269-F317 HydrophobicContact CG1-CE2 3.75Å; I269-F317 HydrophobicContact CG1-CZ 3.54Å
270	P	98.8	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.8	174.7	-9.7	25.5	0	0	0	109.8	H244 V246 F260 A263 L264 S268 S286 F287 I288	H244-P270 CarbonylContact O-C 3.33Å; H244-P270 WeakPolarHBondContact O-CA 3.36Å; V246-P270 HydrophobicContact CG1-CB 4.42Å; V246-P270 HydrophobicContact CG2-CB 3.75Å; F260-P270 HydrophobicContact CD2-CB 3.7Å; F260-P270 HydrophobicContact CD2-CG 3.96Å; F260-P270 HydrophobicContact CE2-CB 3.94Å; F260-P270 HydrophobicContact CE2-CG 3.93Å; A263-P270 HydrophobicContact CB-CB 4.12Å; A263-P270 HydrophobicContact CB-CG 3.84Å; L264-P270 HydrophobicContact CD2-CG 3.66Å; L264-P270 HydrophobicContact CG-CG 3.89Å; S268-P270 VanDerWaalsContact O-CD 3.23Å; S268-P270 WeakPolarHBondContact O-CD 3.49Å; P270-S286 WeakPolarHBondContact CD-O 3.39Å; P270-F287 HydrophobicContact CB-CB 4.31Å; P270-F287 HydrophobicContact CG-CB 4.37Å; P270-F287 WeakPolarHBondContact O-CA 3.42Å; P270-F287 WeakPolarHBondContact O-CB 3.4Å; P270-I288 PolarHBondContact O-N 2.94Å
271	I	98.9	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.6	172.1	-43.9	-59.8	0	0	0	108.4	F243 H244 F245 V246 F247 I269 I288 M299 L303	F243-I271 HydrophobicContact CB-CD1 4.3Å; F243-I271 HydrophobicContact CB-CG1 4.05Å; F243-I271 HydrophobicContact CD1-CD1 3.91Å; F243-I271 HydrophobicContact CG-CD1 4.44Å; H244-I271 PolarHBondContact O-N 3.07Å; F245-I271 HydrophobicContact CD1-CB 3.62Å; F245-I271 HydrophobicContact CD1-CG1 4.18Å; F245-I271 HydrophobicContact CD1-CG2 3.7Å; F245-I271 HydrophobicContact CE1-CB 3.77Å; F245-I271 HydrophobicContact CE1-CG1 4.03Å; F245-I271 HydrophobicContact CE1-CG2 3.48Å; F245-I271 VanDerWaalsContact CE1-CG2 3.48Å; F245-I271 HydrophobicContact CG-CB 4.22Å; F245-I271 HydrophobicContact CZ-CB 4.46Å; F245-I271 HydrophobicContact CZ-CG1 4.23Å; F245-I271 HydrophobicContact CZ-CG2 4.37Å; V246-I271 WeakPolarHBondContact CG2-O 3.38Å; V246-I271 PolarHBondContact N-O 2.82Å; F247-I271 WeakPolarHBondContact CD1-O 3.45Å; F247-I271 HydrophobicContact CE1-CG2 4.11Å; F247-I271 HydrophobicContact CZ-CG2 4.48Å; I269-I271 HydrophobicContact CG2-CD1 4.38Å; I269-I271 PolarHBondContact O-N 3.38Å; I271-I288 WeakPolarHBondContact CA-O 3.27Å; I271-I288 HydrophobicContact CD1-CB 3.74Å; I271-I288 HydrophobicContact CD1-CD1 3.89Å; I271-I288 HydrophobicContact CD1-CG1 4.34Å; I271-I288 HydrophobicContact CD1-CG2 4.28Å; I271-M299 HydrophobicContact CG2-CE 4.32Å; I271-M299 HydrophobicContact CG2-SD 3.98Å; I271-L303 HydrophobicContact CD1-CD2 3.75Å
272	V	98.7	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	161.6	-171.7	-53.3	0	0	0	0	111	V246 F260 Y278 F287 I288 A289 A290	V246-V272 HydrophobicContact CG2-CG1 3.73Å; F260-V272 HydrophobicContact CD2-CG1 4.06Å; F260-V272 HydrophobicContact CE2-CG1 4.23Å; V272-Y278 HydrophobicContact CB-CD1 4.21Å; V272-Y278 HydrophobicContact CB-CD2 3.74Å; V272-Y278 HydrophobicContact CB-CE1 3.95Å; V272-Y278 HydrophobicContact CB-CE2 3.53Å; V272-Y278 HydrophobicContact CB-CG 4.09Å; V272-Y278 HydrophobicContact CG1-CD1 3.53Å; V272-Y278 HydrophobicContact CG1-CD2 4Å; V272-Y278 HydrophobicContact CG1-CE1 3.36Å; V272-Y278 HydrophobicContact CG1-CE2 3.94Å; V272-Y278 HydrophobicContact CG1-CG 3.84Å; V272-Y278 HydrophobicContact CG2-CD2 3.73Å; V272-Y278 HydrophobicContact CG2-CE2 4.01Å; V272-Y278 HydrophobicContact CG2-CG 4.08Å; V272-F287 HydrophobicContact CG1-CD2 4.42Å; V272-F287 HydrophobicContact CG2-CD2 3.68Å; V272-F287 HydrophobicContact CG2-CE2 4.03Å; V272-I288 PolarHBondContact N-O 2.97Å; V272-A289 HydrophobicContact CG2-CB 3.59Å; V272-A289 CarbonylContact O-C 3.54Å; V272-A289 WeakPolarHBondContact O-CA 3.23Å; V272-A290 WeakPolarHBondContact O-CB 3.49Å; V272-A290 PolarHBondContact O-N 3.49Å
273	L	98.3	Very high	96.8	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	-78	-43.5	178.8	-75.2	175.4	0	0	0	113.3	R203 Y206 F247 V251 D291 Y376 I380	R203-L273 HydrophobicContact CB-CD1 3.96Å; Y206-L273 HydrophobicContact CG-CD2 4.32Å; F247-L273 HydrophobicContact CB-CD1 4.25Å; F247-L273 HydrophobicContact CB-CG 4.06Å; F247-L273 HydrophobicContact CD1-CB 4.5Å; F247-L273 HydrophobicContact CD1-CD2 3.79Å; F247-L273 HydrophobicContact CD1-CG 3.62Å; F247-L273 HydrophobicContact CD2-CD2 3.94Å; F247-L273 HydrophobicContact CD2-CG 4.36Å; F247-L273 HydrophobicContact CE1-CD2 3.79Å; F247-L273 HydrophobicContact CE1-CG 4.06Å; F247-L273 HydrophobicContact CE2-CD2 3.97Å; F247-L273 HydrophobicContact CG-CD1 4.42Å; F247-L273 HydrophobicContact CG-CD2 3.85Å; F247-L273 HydrophobicContact CG-CG 3.77Å; F247-L273 HydrophobicContact CZ-CD2 3.87Å; V251-L273 HydrophobicContact CG2-CB 4.22Å; V251-L273 HydrophobicContact CG2-CD1 3.68Å; L273-D291 PolarHBondContact O-N 3.11Å; L273-Y376 HydrophobicContact CB-CD1 4.25Å; L273-I380 HydrophobicContact CD2-CD1 4.14Å; L273-I380 WeakPolarHBondContact O-CD1 3.45Å
274	K	97.9	Very high	96.6	Very high	28 Å²	28	35.7 Å²	35.7	12%	0.122	17%	0.173	C	C	.	.			trans	-133.6	109.4	-167.9	-173.9	164.6	-168.7	60	0	112	V251 K276 I277 Y278 D291 Y373 Y376	V251-K274 HydrophobicContact CG1-CB 3.73Å; V251-K274 HydrophobicContact CG1-CD 3.83Å; V251-K274 HydrophobicContact CG1-CG 4.37Å; K274-K276 VanDerWaalsContact C-N 3.34Å; K274-K276 PolarHBondContact O-N 3.22Å; K274-I277 HydrophobicContact CB-CG1 4.01Å; K274-I277 HydrophobicContact CD-CG1 4.08Å; K274-I277 HydrophobicContact CG-CG1 4.06Å; K274-I277 PolarHBondContact O-N 2.65Å; K274-I277 VanDerWaalsContact O-N 3.13Å; K274-Y278 VanDerWaalsContact O-CD2 3.3Å; K274-Y278 WeakPolarHBondContact O-CD2 3.4Å; K274-D291 WeakPolarHBondContact CA-OD1 3.46Å; K274-D291 WeakPolarHBondContact CA-OD2 3.44Å; K274-D291 WeakPolarHBondContact CG-OD2 3.41Å; K274-D291 IonicContact NZ-OD2 2.62Å; K274-Y373 HydrophobicContact CD-CD2 3.94Å; K274-Y373 HydrophobicContact CD-CE2 3.94Å; K274-Y373 HydrophobicContact CD-CG 4.37Å; K274-Y376 HydrophobicContact CB-CD1 4.11Å; K274-Y376 HydrophobicContact CB-CE1 3.52Å; K274-Y376 HydrophobicContact CD-CD1 4.48Å; K274-Y376 HydrophobicContact CD-CE1 3.93Å; K274-Y376 HydrophobicContact CD-CE2 4.24Å; K274-Y376 HydrophobicContact CG-CE1 3.88Å; K274-Y376 PolarHBondContact NZ-OH 2.87Å
275	R	97.8	Very high	96.5	Very high	53 Å²	53	40.4 Å²	40.4	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-49.1	-51.2	-176.4	175.5	159.9	-68.4	-71.9	-3.7	113.3	I277 Y278 E279 F287 A289 D291 D292	R275-I277 PolarHBondContact O-N 2.99Å; R275-Y278 PolarHBondContact O-N 2.78Å; R275-E279 WeakPolarHBondContact CD-OE1 3.46Å; R275-E279 HydrophobicContact CG-CG 3.64Å; R275-E279 VanDerWaalsContact CG-OE1 3.25Å; R275-E279 WeakPolarHBondContact CG-OE1 3.39Å; R275-E279 PolarHBondContact O-N 3.32Å; R275-E279 VanDerWaalsContact O-N 3.08Å; R275-F287 HydrophobicContact CG-CE2 4.3Å; R275-F287 VanDerWaalsContact NH1-CE2 3.31Å; R275-F287 PolarHBondContact NH2-O 2.95Å; R275-A289 HydrophobicContact CB-CB 3.62Å; R275-D291 PolarHBondContact N-OD1 3.29Å; R275-D291 PolarHBondContact N-OD2 3.04Å; R275-D292 WeakPolarHBondContact CD-OD1 3.42Å; R275-D292 IonicContact CZ-OD1 3.01Å; R275-D292 IonicContact CZ-OD2 2.79Å; R275-D292 VanDerWaalsContact CZ-OD2 3.23Å; R275-D292 VanDerWaalsContact NE-CG 3.3Å; R275-D292 IonicContact NE-OD1 3.99Å; R275-D292 PolarHBondContact NE-OD1 3.29Å; R275-D292 IonicContact NE-OD2 3.72Å; R275-D292 PolarHBondContact NE-OD2 3.29Å; R275-D292 IonicContact NH2-OD1 2.81Å; R275-D292 IonicContact NH2-OD2 3.25Å; R275-D292 PolarHBondContact NH2-OD2 3.04Å
276	K	96.9	Very high	96.6	Very high	139 Å²	139	36.7 Å²	36.7	60%	0.604	18%	0.18	S	C	*	.	H	α-helix	trans	-56.6	-25.2	-175.8	-173.4	172.4	-178.6	175.5	0	114.6	K274 P280	K274-K276 VanDerWaalsContact C-N 3.34Å; K274-K276 PolarHBondContact O-N 3.22Å; K276-P280 WeakPolarHBondContact O-CD 3.48Å
277	I	97.4	Very high	96.7	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-73	-31.3	177.1	-61.7	-54.9	0	0	0	111.6	V251 C252 V256 K274 R275 Y373	V251-I277 HydrophobicContact CG1-CG1 3.97Å; C252-I277 WeakPolarHBondContact O-CD1 3.47Å; C252-I277 WeakPolarHBondContact O-CG2 3.45Å; V256-I277 HydrophobicContact CG2-CG2 4.02Å; K274-I277 HydrophobicContact CB-CG1 4.01Å; K274-I277 HydrophobicContact CD-CG1 4.08Å; K274-I277 HydrophobicContact CG-CG1 4.06Å; K274-I277 PolarHBondContact O-N 2.65Å; K274-I277 VanDerWaalsContact O-N 3.13Å; R275-I277 PolarHBondContact O-N 2.99Å; I277-Y373 HydrophobicContact CD1-CE2 4.22Å
278	Y	97.6	Very high	96.8	Very high	7 Å²	7	36 Å²	36	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-102.6	-25.6	-170.1	-65.4	-102.7	0	0	0	113.1	E248 V256 F260 V272 K274 R275 P280 V281 G282	E248-Y278 VanDerWaalsContact CG-OH 3.29Å; E248-Y278 WeakPolarHBondContact CG-OH 3.47Å; V256-Y278 HydrophobicContact CB-CD1 4.37Å; V256-Y278 HydrophobicContact CB-CE1 4.23Å; V256-Y278 HydrophobicContact CG1-CD1 3.79Å; V256-Y278 HydrophobicContact CG1-CE1 3.71Å; V256-Y278 HydrophobicContact CG2-CD1 3.66Å; V256-Y278 HydrophobicContact CG2-CE1 3.75Å; V256-Y278 HydrophobicContact CG2-CG 4.11Å; F260-Y278 HydrophobicContact CB-CE1 4.38Å; F260-Y278 AromaticContact CD2-CD1 3.51Å; F260-Y278 HydrophobicContact CD2-CD1 3.51Å; F260-Y278 AromaticContact CD2-CE1 3.77Å; F260-Y278 HydrophobicContact CD2-CE1 3.77Å; F260-Y278 AromaticContact CE2-CD1 3.68Å; F260-Y278 HydrophobicContact CE2-CD1 3.68Å; F260-Y278 HydrophobicContact CE2-CE1 4.37Å; F260-Y278 HydrophobicContact CG-CD1 4.06Å; F260-Y278 HydrophobicContact CG-CE1 4.21Å; F260-Y278 HydrophobicContact CZ-CD1 4.37Å; V272-Y278 HydrophobicContact CB-CD1 4.21Å; V272-Y278 HydrophobicContact CB-CD2 3.74Å; V272-Y278 HydrophobicContact CB-CE1 3.95Å; V272-Y278 HydrophobicContact CB-CE2 3.53Å; V272-Y278 HydrophobicContact CB-CG 4.09Å; V272-Y278 HydrophobicContact CG1-CD1 3.53Å; V272-Y278 HydrophobicContact CG1-CD2 4Å; V272-Y278 HydrophobicContact CG1-CE1 3.36Å; V272-Y278 HydrophobicContact CG1-CE2 3.94Å; V272-Y278 HydrophobicContact CG1-CG 3.84Å; V272-Y278 HydrophobicContact CG2-CD2 3.73Å; V272-Y278 HydrophobicContact CG2-CE2 4.01Å; V272-Y278 HydrophobicContact CG2-CG 4.08Å; K274-Y278 VanDerWaalsContact O-CD2 3.3Å; K274-Y278 WeakPolarHBondContact O-CD2 3.4Å; R275-Y278 PolarHBondContact O-N 2.78Å; Y278-P280 VanDerWaalsContact C-CD 3.42Å; Y278-P280 VanDerWaalsContact C-N 3.3Å; Y278-V281 PolarHBondContact O-N 3.36Å; Y278-G282 PolarHBondContact O-N 3.3Å
279	E	96.5	Very high	96.8	Very high	108 Å²	108	36 Å²	36	51%	0.505	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-40	177.5	-73.2	177.7	149.2	0	0	114.5	R275 V281 F287	R275-E279 WeakPolarHBondContact CD-OE1 3.46Å; R275-E279 HydrophobicContact CG-CG 3.64Å; R275-E279 VanDerWaalsContact CG-OE1 3.25Å; R275-E279 WeakPolarHBondContact CG-OE1 3.39Å; R275-E279 PolarHBondContact O-N 3.32Å; R275-E279 VanDerWaalsContact O-N 3.08Å; E279-V281 VanDerWaalsContact C-N 3.26Å; E279-V281 PolarHBondContact O-N 2.88Å; E279-F287 HydrophobicContact CG-CZ 4.16Å
280	P	94.8	Very high	96.8	Very high	63 Å²	63	36 Å²	36	41%	0.409	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.1	179.7	-12.7	30.8	0	0	0	114.2	R153 K276 Y278	R153-P280 VanDerWaalsContact CZ-CB 3.48Å; K276-P280 WeakPolarHBondContact O-CD 3.48Å; Y278-P280 VanDerWaalsContact C-CD 3.42Å; Y278-P280 VanDerWaalsContact C-N 3.3Å
281	V	93	Very high	96.7	Very high	35 Å²	35	37.7 Å²	37.7	21%	0.212	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-44.1	-169.8	178.8	0	0	0	0	111.5	V256 F261 Y278 E279	V256-V281 HydrophobicContact CB-CG1 4.18Å; V256-V281 HydrophobicContact CG1-CG1 4.14Å; V256-V281 HydrophobicContact CG2-CB 4.36Å; V256-V281 HydrophobicContact CG2-CG1 4.33Å; V256-V281 HydrophobicContact CG2-CG2 4.2Å; F261-V281 HydrophobicContact CE1-CG1 4.26Å; F261-V281 HydrophobicContact CE2-CG1 4.43Å; F261-V281 HydrophobicContact CZ-CG1 3.54Å; Y278-V281 PolarHBondContact O-N 3.36Å; E279-V281 VanDerWaalsContact C-N 3.26Å; E279-V281 PolarHBondContact O-N 2.88Å
282	G	92.7	Very high	96.7	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.204	C	C	.	.	S	Bend	trans	-102.5	162	180	0	0	0	0	0	113	Y278	Y278-G282 PolarHBondContact O-N 3.3Å
283	P	95	Very high	96.6	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.104	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-62.7	150.2	175.2	-18.5	30.9	0	0	0	111.8	M164 S286 W319	M164-P283 HydrophobicContact CE-CG 3.65Å; M164-P283 HydrophobicContact CG-CG 3.88Å; M164-P283 HydrophobicContact SD-CG 4.04Å; P283-S286 WeakPolarHBondContact CD-OG 3.29Å; P283-S286 WeakPolarHBondContact O-CB 3.36Å; P283-S286 PolarHBondContact O-N 3.48Å; P283-S286 PolarHBondContact O-OG 3.39Å; P283-W319 HydrophobicContact CB-CB 3.5Å; P283-W319 VanDerWaalsContact CB-CB 3.5Å; P283-W319 HydrophobicContact CB-CD2 4.39Å; P283-W319 HydrophobicContact CB-CG 3.78Å; P283-W319 HydrophobicContact CG-CB 3.89Å; P283-W319 HydrophobicContact CG-CD2 3.86Å; P283-W319 HydrophobicContact CG-CE3 4.04Å; P283-W319 HydrophobicContact CG-CG 3.79Å
284	K	92.2	Very high	96.5	Very high	183 Å²	183	45 Å²	45	80%	0.796	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	142.9	170.3	-170.5	176.5	-179.7	-179.1	0	109.8	S286	K284-S286 PolarHBondContact O-N 3.38Å
285	N	94.6	Very high	96.4	Very high	100 Å²	100	44.8 Å²	44.8	54%	0.535	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	25	-180	-56.9	-17.5	0	0	0	114.7	Y316	N285-Y316 VanDerWaalsContact O-CA 3.27Å; N285-Y316 WeakPolarHBondContact O-CA 3.31Å; N285-Y316 WeakPolarHBondContact O-CD1 3.18Å
286	S	97.9	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-98.3	-9.7	176.6	65.6	0	0	0	0	114.4	P270 P283 K284	P270-S286 WeakPolarHBondContact CD-O 3.39Å; P283-S286 WeakPolarHBondContact CD-OG 3.29Å; P283-S286 WeakPolarHBondContact O-CB 3.36Å; P283-S286 PolarHBondContact O-N 3.48Å; P283-S286 PolarHBondContact O-OG 3.39Å; K284-S286 PolarHBondContact O-N 3.38Å
287	F	98.6	Very high	96.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.214	C	C	.	.			trans	-146.9	161.3	-175	65.4	-93.9	0	0	0	111.3	F260 P270 V272 R275 E279 A289	F260-F287 HydrophobicContact CE2-CB 3.8Å; F260-F287 AromaticContact CE2-CD1 3.92Å; F260-F287 HydrophobicContact CE2-CD1 3.92Å; F260-F287 AromaticContact CE2-CG 3.99Å; F260-F287 HydrophobicContact CE2-CG 3.99Å; F260-F287 HydrophobicContact CZ-CB 4.42Å; F260-F287 AromaticContact CZ-CD1 3.87Å; F260-F287 HydrophobicContact CZ-CD1 3.87Å; F260-F287 HydrophobicContact CZ-CG 4.4Å; P270-F287 HydrophobicContact CB-CB 4.31Å; P270-F287 HydrophobicContact CG-CB 4.37Å; P270-F287 WeakPolarHBondContact O-CA 3.42Å; P270-F287 WeakPolarHBondContact O-CB 3.4Å; V272-F287 HydrophobicContact CG1-CD2 4.42Å; V272-F287 HydrophobicContact CG2-CD2 3.68Å; V272-F287 HydrophobicContact CG2-CE2 4.03Å; R275-F287 HydrophobicContact CG-CE2 4.3Å; R275-F287 VanDerWaalsContact NH1-CE2 3.31Å; R275-F287 PolarHBondContact NH2-O 2.95Å; E279-F287 HydrophobicContact CG-CZ 4.16Å; F287-A289 HydrophobicContact CE2-CB 4.5Å
288	I	98.7	Very high	96.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.1	176.6	-63.9	161.2	0	0	0	108	F243 I269 P270 I271 V272 F293 Y302 L303 L306 Y316	F243-I288 HydrophobicContact CE1-CD1 4.32Å; I269-I288 HydrophobicContact CG2-CD1 3.71Å; I269-I288 HydrophobicContact CG2-CG1 3.89Å; P270-I288 PolarHBondContact O-N 2.94Å; I271-I288 WeakPolarHBondContact CA-O 3.27Å; I271-I288 HydrophobicContact CD1-CB 3.74Å; I271-I288 HydrophobicContact CD1-CD1 3.89Å; I271-I288 HydrophobicContact CD1-CG1 4.34Å; I271-I288 HydrophobicContact CD1-CG2 4.28Å; V272-I288 PolarHBondContact N-O 2.97Å; I288-F293 HydrophobicContact CG2-CE2 3.53Å; I288-F293 HydrophobicContact CG2-CZ 3.81Å; I288-Y302 HydrophobicContact CD1-CD1 4.49Å; I288-Y302 HydrophobicContact CD1-CE1 3.8Å; I288-Y302 HydrophobicContact CG1-CE1 4.28Å; I288-L303 HydrophobicContact CD1-CD2 3.7Å; I288-L306 HydrophobicContact CD1-CD2 3.61Å; I288-Y316 HydrophobicContact CD1-CE1 4.2Å; I288-Y316 HydrophobicContact CG1-CD1 4.46Å; I288-Y316 HydrophobicContact CG1-CE1 3.59Å
289	A	98.5	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.8	180	0	0	0	0	0	111.3	V272 R275 F287 D291 D292 F293	V272-A289 HydrophobicContact CG2-CB 3.59Å; V272-A289 CarbonylContact O-C 3.54Å; V272-A289 WeakPolarHBondContact O-CA 3.23Å; R275-A289 HydrophobicContact CB-CB 3.62Å; F287-A289 HydrophobicContact CE2-CB 4.5Å; A289-D291 WeakPolarHBondContact CB-OD1 3.44Å; A289-D291 PolarHBondContact O-N 3.37Å; A289-D292 WeakPolarHBondContact CB-OD2 3.36Å; A289-D292 PolarHBondContact N-OD2 3.02Å; A289-D292 VanDerWaalsContact O-CB 3.3Å; A289-D292 WeakPolarHBondContact O-CB 3.43Å; A289-D292 PolarHBondContact O-N 3.43Å; A289-D292 VanDerWaalsContact O-N 3.11Å; A289-F293 WeakPolarHBondContact O-CD2 3.48Å; A289-F293 VanDerWaalsContact O-CE2 3.31Å; A289-F293 WeakPolarHBondContact O-CE2 3.35Å
290	A	98.4	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.1	-25.7	-179.9	0	0	0	0	0	113.1	Y206 F247 V272 D292 M299 I380 R385	Y206-A290 HydrophobicContact CE1-CB 4.04Å; Y206-A290 HydrophobicContact CE2-CB 3.9Å; Y206-A290 WeakPolarHBondContact OH-CB 3.42Å; F247-A290 HydrophobicContact CE1-CB 4.44Å; F247-A290 HydrophobicContact CZ-CB 4.41Å; V272-A290 WeakPolarHBondContact O-CB 3.49Å; V272-A290 PolarHBondContact O-N 3.49Å; A290-D292 VanDerWaalsContact C-N 3.28Å; A290-M299 HydrophobicContact CB-SD 4.03Å; A290-I380 HydrophobicContact CB-CD1 3.61Å; A290-R385 PolarHBondContact O-NH2 3.06Å; A290-R385 VanDerWaalsContact O-NH2 3.16Å
291	D	97.2	Very high	96.7	Very high	35 Å²	35	38 Å²	38	19%	0.187	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-77.3	-9.6	175.8	64.7	-26	0	0	0	114	L273 K274 R275 A289 F293 Y376 I380 R385	L273-D291 PolarHBondContact O-N 3.11Å; K274-D291 WeakPolarHBondContact CA-OD1 3.46Å; K274-D291 WeakPolarHBondContact CA-OD2 3.44Å; K274-D291 WeakPolarHBondContact CG-OD2 3.41Å; K274-D291 IonicContact NZ-OD2 2.62Å; R275-D291 PolarHBondContact N-OD1 3.29Å; R275-D291 PolarHBondContact N-OD2 3.04Å; A289-D291 WeakPolarHBondContact CB-OD1 3.44Å; A289-D291 PolarHBondContact O-N 3.37Å; D291-F293 PolarHBondContact O-N 2.91Å; D291-Y376 HydrophobicContact CB-CE1 4.31Å; D291-Y376 VanDerWaalsContact CB-OH 3.24Å; D291-Y376 WeakPolarHBondContact CB-OH 3.35Å; D291-Y376 PolarHBondContact OD2-OH 3.27Å; D291-Y376 VanDerWaalsContact OD2-OH 3.08Å; D291-I380 HydrophobicContact CB-CD1 4.36Å; D291-I380 HydrophobicContact CB-CG2 4.48Å; D291-R385 PolarHBondContact O-NH1 2.81Å
292	D	97.4	Very high	97	Very high	75 Å²	75	39.3 Å²	39.3	40%	0.401	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-71.9	-16.9	172.8	-60.9	-32.2	0	0	0	113.1	R275 A289 A290	R275-D292 WeakPolarHBondContact CD-OD1 3.42Å; R275-D292 IonicContact CZ-OD1 3.01Å; R275-D292 IonicContact CZ-OD2 2.79Å; R275-D292 VanDerWaalsContact CZ-OD2 3.23Å; R275-D292 VanDerWaalsContact NE-CG 3.3Å; R275-D292 IonicContact NE-OD1 3.99Å; R275-D292 PolarHBondContact NE-OD1 3.29Å; R275-D292 IonicContact NE-OD2 3.72Å; R275-D292 PolarHBondContact NE-OD2 3.29Å; R275-D292 IonicContact NH2-OD1 2.81Å; R275-D292 IonicContact NH2-OD2 3.25Å; R275-D292 PolarHBondContact NH2-OD2 3.04Å; A289-D292 WeakPolarHBondContact CB-OD2 3.36Å; A289-D292 PolarHBondContact N-OD2 3.02Å; A289-D292 VanDerWaalsContact O-CB 3.3Å; A289-D292 WeakPolarHBondContact O-CB 3.43Å; A289-D292 PolarHBondContact O-N 3.43Å; A289-D292 VanDerWaalsContact O-N 3.11Å; A290-D292 VanDerWaalsContact C-N 3.28Å
293	F	97.4	Very high	97.3	Very high	21 Å²	21	38.9 Å²	38.9	9%	0.092	20%	0.198	C	C	.	.	S	Bend	trans	-110.2	147.4	-175.6	-54.4	-86.2	0	0	0	110.4	I288 A289 D291 S295 E298 M299 Y302 R385	I288-F293 HydrophobicContact CG2-CE2 3.53Å; I288-F293 HydrophobicContact CG2-CZ 3.81Å; A289-F293 WeakPolarHBondContact O-CD2 3.48Å; A289-F293 VanDerWaalsContact O-CE2 3.31Å; A289-F293 WeakPolarHBondContact O-CE2 3.35Å; D291-F293 PolarHBondContact O-N 2.91Å; F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.01Å; F293-E298 HydrophobicContact CB-CB 4.33Å; F293-E298 HydrophobicContact CD1-CG 4.14Å; F293-M299 HydrophobicContact CB-CB 4Å; F293-M299 HydrophobicContact CD1-CB 4.15Å; F293-M299 HydrophobicContact CD2-CB 3.59Å; F293-M299 HydrophobicContact CD2-CG 3.54Å; F293-M299 HydrophobicContact CD2-SD 4.02Å; F293-M299 HydrophobicContact CE2-CB 4.1Å; F293-M299 HydrophobicContact CE2-CG 3.59Å; F293-M299 HydrophobicContact CE2-SD 4.14Å; F293-M299 HydrophobicContact CG-CB 3.62Å; F293-M299 HydrophobicContact CG-CG 4.08Å; F293-M299 HydrophobicContact CZ-CG 4.14Å; F293-Y302 VanDerWaalsContact CE1-CB 3.47Å; F293-Y302 AromaticContact CE1-CD1 3.81Å; F293-Y302 HydrophobicContact CE1-CD1 3.81Å; F293-Y302 HydrophobicContact CE1-CD2 4.19Å; F293-Y302 AromaticContact CE1-CG 3.54Å; F293-Y302 HydrophobicContact CE1-CG 3.54Å; F293-Y302 AromaticContact CZ-CD1 3.51Å; F293-Y302 HydrophobicContact CZ-CD1 3.51Å; F293-Y302 HydrophobicContact CZ-CE1 4.16Å; F293-Y302 AromaticContact CZ-CG 3.78Å; F293-Y302 HydrophobicContact CZ-CG 3.78Å; F293-R385 PolarHBondContact O-NH1 3.2Å; F293-R385 PolarHBondContact O-NH2 2.85Å
294	A	95.5	Very high	97.5	Very high	59 Å²	59	41.8 Å²	41.8	49%	0.488	21%	0.212	S	C	.	.	S	Bend	trans	-70.3	-27.8	178.8	0	0	0	0	0	112.7	E298	A294-E298 WeakPolarHBondContact CA-OE2 3.25Å; A294-E298 WeakPolarHBondContact CB-OE2 3.38Å; A294-E298 PolarHBondContact N-OE2 2.97Å
295	S	96.3	Very high	97.8	Very high	23 Å²	23	40.4 Å²	40.4	16%	0.161	20%	0.202	C	C	.	.	S	Bend	trans	-148.5	161.2	179.4	71.1	0	0	0	0	112.6	F293 K297 E298 M299	F293-S295 VanDerWaalsContact C-N 3.31Å; F293-S295 PolarHBondContact O-N 3.01Å; S295-K297 PolarHBondContact O-N 3.07Å; S295-K297 PolarHBondContact OG-N 3.43Å; S295-E298 PolarHBondContact O-N 3.15Å; S295-E298 PolarHBondContact OG-N 3.23Å; S295-M299 PolarHBondContact O-N 2.75Å
296	P	97.5	Very high	98	Very high	4 Å²	4	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-31.1	170.2	-26.2	35.1	0	0	0	113.7	Y206 N209 L210 A300	Y206-P296 HydrophobicContact CE2-CG 4.04Å; N209-P296 HydrophobicContact CB-CG 4.15Å; L210-P296 HydrophobicContact CB-CB 4.18Å; L210-P296 HydrophobicContact CD1-CB 4.23Å; L210-P296 WeakPolarHBondContact CD1-O 3.4Å; P296-A300 WeakPolarHBondContact O-CB 3.36Å; P296-A300 PolarHBondContact O-N 2.68Å
297	K	97.4	Very high	98	Very high	90 Å²	90	36.7 Å²	36.7	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-67	-44.8	177.2	-170.4	-165.8	177.4	-50.8	0	111.4	Y213 S295 M299 A300 D301	Y213-K297 HydrophobicContact CD1-CB 4.32Å; Y213-K297 HydrophobicContact CD1-CD 4.43Å; Y213-K297 HydrophobicContact CD1-CG 3.86Å; Y213-K297 HydrophobicContact CD2-CB 3.76Å; Y213-K297 HydrophobicContact CD2-CG 4.16Å; Y213-K297 HydrophobicContact CE1-CB 4.35Å; Y213-K297 HydrophobicContact CE1-CD 4.31Å; Y213-K297 HydrophobicContact CE1-CG 4.09Å; Y213-K297 HydrophobicContact CE2-CB 3.79Å; Y213-K297 HydrophobicContact CE2-CG 4.37Å; Y213-K297 HydrophobicContact CG-CB 4.02Å; Y213-K297 HydrophobicContact CG-CG 3.89Å; S295-K297 PolarHBondContact O-N 3.07Å; S295-K297 PolarHBondContact OG-N 3.43Å; K297-M299 VanDerWaalsContact C-N 3.3Å; K297-M299 PolarHBondContact O-N 2.96Å; K297-A300 WeakPolarHBondContact O-CB 3.23Å; K297-A300 PolarHBondContact O-N 3.14Å; K297-A300 VanDerWaalsContact O-N 3.13Å; K297-D301 VanDerWaalsContact NZ-CG 3.26Å; K297-D301 IonicContact NZ-OD1 3.74Å; K297-D301 PolarHBondContact NZ-OD1 2.84Å; K297-D301 IonicContact NZ-OD2 3.01Å; K297-D301 PolarHBondContact NZ-OD2 2.78Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 3.4Å
298	E	97.7	Very high	97.9	Very high	88 Å²	88	43.7 Å²	43.7	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-39.8	178.7	-171.9	-173.2	-175.3	0	0	111.4	F293 A294 S295 D301 Y302	F293-E298 HydrophobicContact CB-CB 4.33Å; F293-E298 HydrophobicContact CD1-CG 4.14Å; A294-E298 WeakPolarHBondContact CA-OE2 3.25Å; A294-E298 WeakPolarHBondContact CB-OE2 3.38Å; A294-E298 PolarHBondContact N-OE2 2.97Å; S295-E298 PolarHBondContact O-N 3.15Å; S295-E298 PolarHBondContact OG-N 3.23Å; E298-D301 PolarHBondContact O-N 3.17Å; E298-Y302 WeakPolarHBondContact O-CB 3.39Å; E298-Y302 PolarHBondContact O-N 2.95Å
299	M	98.1	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-44.2	171.9	-171	176.7	74.2	0	0	111.3	Y206 L210 F245 I271 A290 F293 S295 K297 D301 Y302 L303	Y206-M299 HydrophobicContact CE1-CE 3.54Å; Y206-M299 WeakPolarHBondContact OH-CE 3.39Å; L210-M299 HydrophobicContact CD1-CE 3.55Å; L210-M299 HydrophobicContact CD2-CE 3.35Å; L210-M299 HydrophobicContact CG-CE 4.05Å; F245-M299 HydrophobicContact CE1-CE 3.84Å; F245-M299 HydrophobicContact CZ-CE 4.39Å; I271-M299 HydrophobicContact CG2-CE 4.32Å; I271-M299 HydrophobicContact CG2-SD 3.98Å; A290-M299 HydrophobicContact CB-SD 4.03Å; F293-M299 HydrophobicContact CB-CB 4Å; F293-M299 HydrophobicContact CD1-CB 4.15Å; F293-M299 HydrophobicContact CD2-CB 3.59Å; F293-M299 HydrophobicContact CD2-CG 3.54Å; F293-M299 HydrophobicContact CD2-SD 4.02Å; F293-M299 HydrophobicContact CE2-CB 4.1Å; F293-M299 HydrophobicContact CE2-CG 3.59Å; F293-M299 HydrophobicContact CE2-SD 4.14Å; F293-M299 HydrophobicContact CG-CB 3.62Å; F293-M299 HydrophobicContact CG-CG 4.08Å; F293-M299 HydrophobicContact CZ-CG 4.14Å; S295-M299 PolarHBondContact O-N 2.75Å; K297-M299 VanDerWaalsContact C-N 3.3Å; K297-M299 PolarHBondContact O-N 2.96Å; M299-D301 PolarHBondContact O-N 2.76Å; M299-Y302 PolarHBondContact O-N 3.31Å; M299-L303 HydrophobicContact CE-CD1 4.26Å; M299-L303 HydrophobicContact CG-CD1 3.99Å; M299-L303 HydrophobicContact CG-CG 4.18Å; M299-L303 WeakPolarHBondContact O-CB 3.32Å; M299-L303 VanDerWaalsContact O-CG 3.26Å; M299-L303 WeakPolarHBondContact O-CG 3.45Å; M299-L303 PolarHBondContact O-N 3.48Å; M299-L303 HydrophobicContact SD-CD1 4.5Å
300	A	98.5	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-48.6	175.8	0	0	0	0	0	112.1	L210 F214 P296 K297 Y302 L303 L304	L210-A300 HydrophobicContact CD1-CB 4.05Å; F214-A300 HydrophobicContact CB-CB 3.73Å; F214-A300 HydrophobicContact CD2-CB 4.25Å; F214-A300 HydrophobicContact CG-CB 4.37Å; P296-A300 WeakPolarHBondContact O-CB 3.36Å; P296-A300 PolarHBondContact O-N 2.68Å; K297-A300 WeakPolarHBondContact O-CB 3.23Å; K297-A300 PolarHBondContact O-N 3.14Å; K297-A300 VanDerWaalsContact O-N 3.13Å; A300-Y302 VanDerWaalsContact C-N 3.29Å; A300-Y302 PolarHBondContact O-N 3.31Å; A300-L303 PolarHBondContact O-N 2.97Å; A300-L304 WeakPolarHBondContact O-CG 3.24Å; A300-L304 PolarHBondContact O-N 2.86Å
301	D	98.6	Very high	97.8	Very high	57 Å²	57	53.9 Å²	53.9	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-41	178.9	-63.8	-22.5	0	0	0	110.9	K297 E298 M299 R305	K297-D301 VanDerWaalsContact NZ-CG 3.26Å; K297-D301 IonicContact NZ-OD1 3.74Å; K297-D301 PolarHBondContact NZ-OD1 2.84Å; K297-D301 IonicContact NZ-OD2 3.01Å; K297-D301 PolarHBondContact NZ-OD2 2.78Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 3.4Å; E298-D301 PolarHBondContact O-N 3.17Å; M299-D301 PolarHBondContact O-N 2.76Å; D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 2.81Å; D301-R305 PolarHBondContact O-NH1 2.83Å
302	Y	98.7	Very high	97.9	Very high	62 Å²	62	53.6 Å²	53.6	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-48.7	175.3	177.8	-96.8	0	0	0	112.5	I288 F293 E298 M299 A300 L304 R305 L306 Y316	I288-Y302 HydrophobicContact CD1-CD1 4.49Å; I288-Y302 HydrophobicContact CD1-CE1 3.8Å; I288-Y302 HydrophobicContact CG1-CE1 4.28Å; F293-Y302 VanDerWaalsContact CE1-CB 3.47Å; F293-Y302 AromaticContact CE1-CD1 3.81Å; F293-Y302 HydrophobicContact CE1-CD1 3.81Å; F293-Y302 HydrophobicContact CE1-CD2 4.19Å; F293-Y302 AromaticContact CE1-CG 3.54Å; F293-Y302 HydrophobicContact CE1-CG 3.54Å; F293-Y302 AromaticContact CZ-CD1 3.51Å; F293-Y302 HydrophobicContact CZ-CD1 3.51Å; F293-Y302 HydrophobicContact CZ-CE1 4.16Å; F293-Y302 AromaticContact CZ-CG 3.78Å; F293-Y302 HydrophobicContact CZ-CG 3.78Å; E298-Y302 WeakPolarHBondContact O-CB 3.39Å; E298-Y302 PolarHBondContact O-N 2.95Å; M299-Y302 PolarHBondContact O-N 3.31Å; A300-Y302 VanDerWaalsContact C-N 3.29Å; A300-Y302 PolarHBondContact O-N 3.31Å; Y302-L304 VanDerWaalsContact C-N 3.33Å; Y302-L304 PolarHBondContact O-N 2.98Å; Y302-R305 PolarHBondContact O-N 2.89Å; Y302-L306 HydrophobicContact CE1-CB 4.47Å; Y302-L306 HydrophobicContact CE1-CD2 3.83Å; Y302-L306 WeakPolarHBondContact O-CB 2.93Å; Y302-L306 PolarHBondContact O-N 3.22Å; Y302-Y316 PolarHBondContact OH-OH 3.12Å
303	L	98.8	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-37.1	-179	-68.2	176.7	0	0	0	112	F214 F243 F245 I271 I288 M299 A300 L306 A307	F214-L303 HydrophobicContact CD1-CD1 4.35Å; F214-L303 HydrophobicContact CD2-CB 4.1Å; F214-L303 HydrophobicContact CE1-CB 4.39Å; F214-L303 HydrophobicContact CE1-CD1 4Å; F214-L303 HydrophobicContact CE2-CB 3.39Å; F214-L303 HydrophobicContact CE2-CD1 4.34Å; F214-L303 HydrophobicContact CZ-CB 3.56Å; F214-L303 HydrophobicContact CZ-CD1 4Å; F214-L303 HydrophobicContact CZ-CG 4.41Å; F243-L303 HydrophobicContact CD1-CD2 3.93Å; F243-L303 HydrophobicContact CE1-CD2 3.77Å; F243-L303 HydrophobicContact CE2-CB 4.43Å; F243-L303 HydrophobicContact CG-CD2 4.39Å; F243-L303 HydrophobicContact CZ-CB 4.49Å; F243-L303 HydrophobicContact CZ-CD2 4.11Å; F245-L303 HydrophobicContact CZ-CD1 3.99Å; I271-L303 HydrophobicContact CD1-CD2 3.75Å; I288-L303 HydrophobicContact CD1-CD2 3.7Å; M299-L303 HydrophobicContact CE-CD1 4.26Å; M299-L303 HydrophobicContact CG-CD1 3.99Å; M299-L303 HydrophobicContact CG-CG 4.18Å; M299-L303 WeakPolarHBondContact O-CB 3.32Å; M299-L303 VanDerWaalsContact O-CG 3.26Å; M299-L303 WeakPolarHBondContact O-CG 3.45Å; M299-L303 PolarHBondContact O-N 3.48Å; M299-L303 HydrophobicContact SD-CD1 4.5Å; A300-L303 PolarHBondContact O-N 2.97Å; L303-L306 PolarHBondContact O-N 2.85Å; L303-A307 VanDerWaalsContact O-CB 3.31Å; L303-A307 WeakPolarHBondContact O-CB 3.42Å; L303-A307 PolarHBondContact O-N 3.21Å
304	L	98.7	Very high	97.9	Very high	76 Å²	76	49.1 Å²	49.1	40%	0.398	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.4	-72	169.6	0	0	0	111.8	L189 F214 A300 Y302 A307 N308	L189-L304 HydrophobicContact CD2-CD2 4.12Å; F214-L304 HydrophobicContact CD2-CD1 4.45Å; F214-L304 HydrophobicContact CD2-CD2 3.93Å; F214-L304 HydrophobicContact CD2-CG 3.77Å; F214-L304 HydrophobicContact CE2-CD2 3.76Å; F214-L304 HydrophobicContact CE2-CG 3.78Å; A300-L304 WeakPolarHBondContact O-CG 3.24Å; A300-L304 PolarHBondContact O-N 2.86Å; Y302-L304 VanDerWaalsContact C-N 3.33Å; Y302-L304 PolarHBondContact O-N 2.98Å; L304-A307 PolarHBondContact O-N 2.9Å; L304-N308 PolarHBondContact O-N 2.88Å
305	R	98.6	Very high	98	Very high	155 Å²	155	52.6 Å²	52.6	59%	0.585	26%	0.259	S	S	*	.	H	α-helix	trans	-61.3	-47.5	174.5	-71.2	-168.2	-55.9	-86	5.6	111.3	D301 Y302 A307 N308 D309	D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 2.81Å; D301-R305 PolarHBondContact O-NH1 2.83Å; Y302-R305 PolarHBondContact O-N 2.89Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 3.29Å; R305-N308 PolarHBondContact O-N 2.79Å; R305-D309 PolarHBondContact O-N 3.11Å
306	L	98.6	Very high	98.1	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-35.3	179.9	-175.1	61.6	0	0	0	112.4	F243 I269 I288 Y302 L303 N308 D309 A312 Y313 Y316	F243-L306 HydrophobicContact CE1-CD2 3.92Å; F243-L306 HydrophobicContact CE1-CG 4.4Å; F243-L306 HydrophobicContact CZ-CB 4.33Å; F243-L306 HydrophobicContact CZ-CD2 4.24Å; F243-L306 HydrophobicContact CZ-CG 4.27Å; I269-L306 HydrophobicContact CD1-CD2 3.93Å; I288-L306 HydrophobicContact CD1-CD2 3.61Å; Y302-L306 HydrophobicContact CE1-CB 4.47Å; Y302-L306 HydrophobicContact CE1-CD2 3.83Å; Y302-L306 WeakPolarHBondContact O-CB 2.93Å; Y302-L306 PolarHBondContact O-N 3.22Å; L303-L306 PolarHBondContact O-N 2.85Å; L306-N308 PolarHBondContact O-N 2.74Å; L306-D309 PolarHBondContact O-N 3.12Å; L306-A312 HydrophobicContact CD1-CB 3.71Å; L306-Y313 HydrophobicContact CG-CD2 4.31Å; L306-Y316 HydrophobicContact CD1-CD2 4.4Å; L306-Y316 HydrophobicContact CD1-CE2 4.1Å; L306-Y316 HydrophobicContact CD2-CD2 4.17Å; L306-Y316 HydrophobicContact CD2-CE2 3.68Å
307	A	98.1	Very high	98.1	Very high	15 Å²	15	53.2 Å²	53.2	12%	0.124	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-32.7	176.9	0	0	0	0	0	112.9	L189 K242 F243 L303 L304 R305	L189-A307 HydrophobicContact CD1-CB 3.45Å; L189-A307 VanDerWaalsContact CD1-CB 3.45Å; K242-A307 HydrophobicContact CD-CB 4.24Å; K242-A307 PolarHBondContact NZ-O 2.83Å; F243-A307 HydrophobicContact CE2-CB 3.9Å; F243-A307 HydrophobicContact CZ-CB 4.31Å; L303-A307 VanDerWaalsContact O-CB 3.31Å; L303-A307 WeakPolarHBondContact O-CB 3.42Å; L303-A307 PolarHBondContact O-N 3.21Å; L304-A307 PolarHBondContact O-N 2.9Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 3.29Å
308	N	97.3	Very high	98	Very high	149 Å²	149	53.3 Å²	53.3	80%	0.797	26%	0.26	S	S	*	.	H	α-helix	trans	-92.7	-10.8	-176.1	-162	49.2	0	0	0	113.6	L304 R305 L306	L304-N308 PolarHBondContact O-N 2.88Å; R305-N308 PolarHBondContact O-N 2.79Å; L306-N308 PolarHBondContact O-N 2.74Å
309	D	98.2	Very high	97.9	Very high	78 Å²	78	50 Å²	50	42%	0.417	24%	0.244	S	C	.	.			trans	-108.5	97.1	175.5	-175.6	-17.2	0	0	0	109.9	R305 L306 E311 A312 Y313	R305-D309 PolarHBondContact O-N 3.11Å; L306-D309 PolarHBondContact O-N 3.12Å; D309-E311 VanDerWaalsContact C-N 3.29Å; D309-E311 PolarHBondContact O-N 3.17Å; D309-E311 PolarHBondContact OD1-N 3.33Å; D309-A312 HydrophobicContact CB-CB 3.9Å; D309-A312 PolarHBondContact O-N 3.19Å; D309-A312 PolarHBondContact OD1-N 2.69Å; D309-A312 WeakPolarHBondContact OD2-CB 3.45Å; D309-Y313 VanDerWaalsContact O-CB 3.28Å; D309-Y313 WeakPolarHBondContact O-CB 3.48Å; D309-Y313 PolarHBondContact O-N 3.36Å
310	T	97.7	Very high	97.8	Very high	57 Å²	57	51.5 Å²	51.5	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-37.9	-179.4	-63.1	0	0	0	0	111.7	R180 V183 Y313 I314	R180-T310 HydrophobicContact CG-CG2 4.43Å; V183-T310 HydrophobicContact CG1-CG2 4.36Å; T310-Y313 PolarHBondContact O-N 3.19Å; T310-I314 HydrophobicContact CG2-CG2 4.17Å; T310-I314 WeakPolarHBondContact O-CG1 3.37Å; T310-I314 WeakPolarHBondContact O-CG2 3.32Å; T310-I314 PolarHBondContact O-N 3.26Å
311	E	97.9	Very high	97.5	Very high	81 Å²	81	56.6 Å²	56.6	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-73.3	-35.4	-177	-64.9	-58	120.4	0	0	111.7	R180 D309 I314 K315	R180-E311 IonicContact CZ-OE1 3.58Å; R180-E311 IonicContact CZ-OE2 3.51Å; R180-E311 IonicContact NE-OE1 3.94Å; R180-E311 PolarHBondContact NE-OE1 2.71Å; R180-E311 IonicContact NE-OE2 2.78Å; R180-E311 IonicContact NH2-OE1 3.53Å; R180-E311 PolarHBondContact NH2-OE1 2.72Å; R180-E311 IonicContact NH2-OE2 3.33Å; R180-E311 PolarHBondContact NH2-OE2 3.41Å; D309-E311 VanDerWaalsContact C-N 3.29Å; D309-E311 PolarHBondContact O-N 3.17Å; D309-E311 PolarHBondContact OD1-N 3.33Å; E311-I314 WeakPolarHBondContact O-CG1 3.3Å; E311-K315 WeakPolarHBondContact O-CG 3.2Å
312	A	98.2	Very high	97.3	Very high	29 Å²	29	59 Å²	59	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-41.1	169.7	0	0	0	0	0	111.8	L306 D309 K315	L306-A312 HydrophobicContact CD1-CB 3.71Å; D309-A312 HydrophobicContact CB-CB 3.9Å; D309-A312 PolarHBondContact O-N 3.19Å; D309-A312 PolarHBondContact OD1-N 2.69Å; D309-A312 WeakPolarHBondContact OD2-CB 3.45Å; A312-K315 PolarHBondContact O-N 3.08Å
313	Y	98.5	Very high	97.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-47.3	-179.8	-177.9	-87.7	0	0	0	112.1	V183 K242 F243 V267 I269 L306 D309 T310 K315 Y316 F317	V183-Y313 HydrophobicContact CB-CD1 4.44Å; V183-Y313 HydrophobicContact CB-CE1 4.41Å; V183-Y313 HydrophobicContact CG1-CD1 3.74Å; V183-Y313 HydrophobicContact CG1-CE1 3.91Å; V183-Y313 HydrophobicContact CG2-CD1 3.77Å; V183-Y313 HydrophobicContact CG2-CE1 3.57Å; K242-Y313 WeakPolarHBondContact CA-OH 3.22Å; K242-Y313 HydrophobicContact CB-CE2 3.79Å; K242-Y313 HydrophobicContact CG-CE2 4.25Å; K242-Y313 PolarHBondContact O-OH 3.06Å; F243-Y313 HydrophobicContact CD1-CE2 4.46Å; F243-Y313 HydrophobicContact CE1-CD2 4.25Å; F243-Y313 AromaticContact CE1-CE2 3.94Å; F243-Y313 HydrophobicContact CE1-CE2 3.94Å; F243-Y313 HydrophobicContact CZ-CD2 4.25Å; F243-Y313 HydrophobicContact CZ-CE2 4.16Å; V267-Y313 PolarHBondContact O-OH 3.09Å; I269-Y313 HydrophobicContact CD1-CD2 3.52Å; I269-Y313 HydrophobicContact CD1-CE2 3.4Å; I269-Y313 VanDerWaalsContact CD1-CE2 3.4Å; I269-Y313 HydrophobicContact CD1-CG 4.22Å; I269-Y313 HydrophobicContact CG1-CD2 4.35Å; I269-Y313 HydrophobicContact CG1-CE2 3.76Å; L306-Y313 HydrophobicContact CG-CD2 4.31Å; D309-Y313 VanDerWaalsContact O-CB 3.28Å; D309-Y313 WeakPolarHBondContact O-CB 3.48Å; D309-Y313 PolarHBondContact O-N 3.36Å; T310-Y313 PolarHBondContact O-N 3.19Å; Y313-K315 PolarHBondContact O-N 3.35Å; Y313-Y316 WeakPolarHBondContact O-CB 3.47Å; Y313-Y316 PolarHBondContact O-N 2.63Å; Y313-F317 AromaticContact CD1-CE2 3.94Å; Y313-F317 HydrophobicContact CD1-CE2 3.94Å; Y313-F317 HydrophobicContact CE1-CD2 4.35Å; Y313-F317 AromaticContact CE1-CE2 3.4Å; Y313-F317 HydrophobicContact CE1-CE2 3.4Å; Y313-F317 VanDerWaalsContact CE1-CE2 3.4Å; Y313-F317 HydrophobicContact CE1-CZ 4.07Å; Y313-F317 AromaticContact CZ-CE2 3.8Å
314	I	97.6	Very high	96.9	Very high	1 Å²	1	64 Å²	64	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-24.3	-176.8	65.4	-178.1	0	0	0	113.2	W176 L179 R180 V183 T310 E311 Y316 F317	W176-I314 HydrophobicContact CE3-CB 4.5Å; W176-I314 HydrophobicContact CE3-CD1 3.87Å; W176-I314 HydrophobicContact CE3-CG1 4.11Å; W176-I314 HydrophobicContact CZ3-CB 4.33Å; W176-I314 HydrophobicContact CZ3-CD1 4.28Å; W176-I314 HydrophobicContact CZ3-CG1 4.01Å; L179-I314 HydrophobicContact CD2-CB 3.63Å; L179-I314 HydrophobicContact CD2-CG2 4.06Å; L179-I314 HydrophobicContact CG-CB 4Å; L179-I314 HydrophobicContact CG-CG2 3.84Å; R180-I314 HydrophobicContact CG-CD1 4.05Å; V183-I314 HydrophobicContact CB-CG2 4.49Å; V183-I314 HydrophobicContact CG2-CG2 3.96Å; T310-I314 HydrophobicContact CG2-CG2 4.17Å; T310-I314 WeakPolarHBondContact O-CG1 3.37Å; T310-I314 WeakPolarHBondContact O-CG2 3.32Å; T310-I314 PolarHBondContact O-N 3.26Å; E311-I314 WeakPolarHBondContact O-CG1 3.3Å; I314-Y316 PolarHBondContact O-N 3.06Å; I314-F317 PolarHBondContact O-N 2.75Å
315	K	97.6	Very high	96.7	Very high	133 Å²	133	61 Å²	61	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-60.2	-27.1	175.3	-74.4	171.1	-175.4	176.8	0	112.8	E311 A312 Y313 F317 E318	E311-K315 WeakPolarHBondContact O-CG 3.2Å; A312-K315 PolarHBondContact O-N 3.08Å; Y313-K315 PolarHBondContact O-N 3.35Å; K315-F317 PolarHBondContact O-N 2.96Å; K315-F317 VanDerWaalsContact O-N 3.09Å; K315-E318 WeakPolarHBondContact O-CB 2.96Å; K315-E318 PolarHBondContact O-N 3.24Å
316	Y	98.4	Very high	96.5	Very high	40 Å²	40	54.4 Å²	54.4	16%	0.157	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	173.6	-82.4	-93.5	0	0	0	114.1	I269 N285 I288 Y302 L306 Y313 I314 W319	I269-Y316 HydrophobicContact CD1-CD1 4.14Å; I269-Y316 HydrophobicContact CD1-CD2 3.67Å; I269-Y316 HydrophobicContact CD1-CE2 4.4Å; I269-Y316 HydrophobicContact CD1-CG 3.52Å; I269-Y316 HydrophobicContact CG1-CD1 4.5Å; I269-Y316 HydrophobicContact CG1-CG 4.12Å; I269-Y316 HydrophobicContact CG2-CD1 4Å; I269-Y316 HydrophobicContact CG2-CE1 4.43Å; I269-Y316 HydrophobicContact CG2-CG 4.44Å; N285-Y316 VanDerWaalsContact O-CA 3.27Å; N285-Y316 WeakPolarHBondContact O-CA 3.31Å; N285-Y316 WeakPolarHBondContact O-CD1 3.18Å; I288-Y316 HydrophobicContact CD1-CE1 4.2Å; I288-Y316 HydrophobicContact CG1-CD1 4.46Å; I288-Y316 HydrophobicContact CG1-CE1 3.59Å; Y302-Y316 PolarHBondContact OH-OH 3.12Å; L306-Y316 HydrophobicContact CD1-CD2 4.4Å; L306-Y316 HydrophobicContact CD1-CE2 4.1Å; L306-Y316 HydrophobicContact CD2-CD2 4.17Å; L306-Y316 HydrophobicContact CD2-CE2 3.68Å; Y313-Y316 WeakPolarHBondContact O-CB 3.47Å; Y313-Y316 PolarHBondContact O-N 2.63Å; I314-Y316 PolarHBondContact O-N 3.06Å; Y316-W319 PolarHBondContact O-NE1 3.35Å
317	F	97.4	Very high	96	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	10.6	-179.9	-56.5	-80.5	0	0	0	112.9	L179 V267 I269 Y313 I314 K315 W319 M320	L179-F317 HydrophobicContact CD1-CB 4.19Å; L179-F317 HydrophobicContact CD1-CD2 4.44Å; L179-F317 HydrophobicContact CD1-CG 4.36Å; L179-F317 HydrophobicContact CD2-CB 3.81Å; V267-F317 VanDerWaalsContact CA-CE1 3.5Å; V267-F317 HydrophobicContact CB-CE1 4.28Å; V267-F317 HydrophobicContact CG1-CD1 3.83Å; V267-F317 HydrophobicContact CG1-CD2 4.12Å; V267-F317 HydrophobicContact CG1-CE1 3.84Å; V267-F317 HydrophobicContact CG1-CE2 4.12Å; V267-F317 HydrophobicContact CG1-CG 3.97Å; V267-F317 HydrophobicContact CG1-CZ 3.96Å; V267-F317 WeakPolarHBondContact O-CZ 3.46Å; I269-F317 HydrophobicContact CD1-CE2 4.32Å; I269-F317 HydrophobicContact CG1-CE2 3.75Å; I269-F317 HydrophobicContact CG1-CZ 3.54Å; Y313-F317 AromaticContact CD1-CE2 3.94Å; Y313-F317 HydrophobicContact CD1-CE2 3.94Å; Y313-F317 HydrophobicContact CE1-CD2 4.35Å; Y313-F317 AromaticContact CE1-CE2 3.4Å; Y313-F317 HydrophobicContact CE1-CE2 3.4Å; Y313-F317 VanDerWaalsContact CE1-CE2 3.4Å; Y313-F317 HydrophobicContact CE1-CZ 4.07Å; Y313-F317 AromaticContact CZ-CE2 3.8Å; I314-F317 PolarHBondContact O-N 2.75Å; K315-F317 PolarHBondContact O-N 2.96Å; K315-F317 VanDerWaalsContact O-N 3.09Å; F317-W319 HydrophobicContact CD1-CZ2 4.36Å; F317-W319 PolarHBondContact O-N 2.81Å; F317-W319 VanDerWaalsContact O-N 3.17Å; F317-M320 HydrophobicContact CB-CG 4.15Å; F317-M320 HydrophobicContact CB-SD 3.8Å; F317-M320 HydrophobicContact CD1-SD 4.02Å; F317-M320 HydrophobicContact CG-SD 4.28Å; F317-M320 WeakPolarHBondContact O-CB 3.38Å; F317-M320 WeakPolarHBondContact O-CG 3.49Å; F317-M320 PolarHBondContact O-N 3.15Å
318	E	95.4	Very high	95.3	Very high	91 Å²	91	57.4 Å²	57.4	43%	0.425	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.9	175.8	-177.3	169.9	-155.5	0	0	112.2	W176 K315 M320 R321	W176-E318 HydrophobicContact CH2-CB 4.05Å; W176-E318 HydrophobicContact CH2-CG 4.28Å; W176-E318 HydrophobicContact CZ2-CG 4.42Å; K315-E318 WeakPolarHBondContact O-CB 2.96Å; K315-E318 PolarHBondContact O-N 3.24Å; E318-M320 PolarHBondContact O-N 3.01Å; E318-R321 WeakPolarHBondContact O-CB 3.32Å; E318-R321 WeakPolarHBondContact O-CG 3.24Å; E318-R321 PolarHBondContact O-N 3.45Å
319	W	95.8	Very high	94.4	Very high	20 Å²	20	59 Å²	59	8%	0.076	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55	-26.1	175.5	65.7	-96.4	0	0	0	113.3	M164 L264 P283 Y316 F317 R321 H322 Y323	M164-W319 HydrophobicContact CE-CD2 4.4Å; M164-W319 HydrophobicContact CE-CE3 3.53Å; M164-W319 HydrophobicContact CE-CH2 4.01Å; M164-W319 HydrophobicContact CE-CZ3 3.3Å; L264-W319 HydrophobicContact CB-CH2 3.88Å; L264-W319 HydrophobicContact CB-CZ2 3.7Å; L264-W319 HydrophobicContact CD1-CZ2 4.35Å; L264-W319 HydrophobicContact CD2-CZ2 3.7Å; L264-W319 HydrophobicContact CG-CZ2 4.12Å; P283-W319 HydrophobicContact CB-CB 3.5Å; P283-W319 VanDerWaalsContact CB-CB 3.5Å; P283-W319 HydrophobicContact CB-CD2 4.39Å; P283-W319 HydrophobicContact CB-CG 3.78Å; P283-W319 HydrophobicContact CG-CB 3.89Å; P283-W319 HydrophobicContact CG-CD2 3.86Å; P283-W319 HydrophobicContact CG-CE3 4.04Å; P283-W319 HydrophobicContact CG-CG 3.79Å; Y316-W319 PolarHBondContact O-NE1 3.35Å; F317-W319 HydrophobicContact CD1-CZ2 4.36Å; F317-W319 PolarHBondContact O-N 2.81Å; F317-W319 VanDerWaalsContact O-N 3.17Å; W319-R321 PolarHBondContact O-N 3.02Å; W319-R321 VanDerWaalsContact O-N 3.13Å; W319-H322 PolarHBondContact O-N 3.37Å; W319-Y323 PolarHBondContact O-N 3Å
320	M	95.2	Very high	93.8	Very high	30 Å²	30	61.2 Å²	61.2	15%	0.148	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62.1	-21	179.6	-66.4	-176.1	74.7	0	0	112.2	R167 L171 F175 V267 F317 E318 H322	R167-M320 WeakPolarHBondContact CD-O 3.34Å; R167-M320 PolarHBondContact NE-O 3.45Å; L171-M320 WeakPolarHBondContact CD1-O 3.34Å; F175-M320 HydrophobicContact CE2-CB 3.95Å; F175-M320 HydrophobicContact CZ-CB 4.01Å; V267-M320 HydrophobicContact CG2-CE 4.18Å; V267-M320 HydrophobicContact CG2-SD 4.33Å; F317-M320 HydrophobicContact CB-CG 4.15Å; F317-M320 HydrophobicContact CB-SD 3.8Å; F317-M320 HydrophobicContact CD1-SD 4.02Å; F317-M320 HydrophobicContact CG-SD 4.28Å; F317-M320 WeakPolarHBondContact O-CB 3.38Å; F317-M320 WeakPolarHBondContact O-CG 3.49Å; F317-M320 PolarHBondContact O-N 3.15Å; E318-M320 PolarHBondContact O-N 3.01Å; M320-H322 PolarHBondContact O-N 2.88Å
321	R	93	Very high	93.2	Very high	108 Å²	108	58.6 Å²	58.6	41%	0.408	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.4	-27.1	173.5	-63	177.7	68.5	-162.8	1.2	113	L171 F175 E318 W319	L171-R321 HydrophobicContact CD1-CG 4.46Å; F175-R321 HydrophobicContact CD1-CG 3.63Å; F175-R321 HydrophobicContact CE1-CG 3.44Å; F175-R321 VanDerWaalsContact CE1-CG 3.44Å; F175-R321 HydrophobicContact CE2-CG 4.36Å; F175-R321 HydrophobicContact CG-CG 4.18Å; F175-R321 HydrophobicContact CZ-CG 3.83Å; E318-R321 WeakPolarHBondContact O-CB 3.32Å; E318-R321 WeakPolarHBondContact O-CG 3.24Å; E318-R321 PolarHBondContact O-N 3.45Å; W319-R321 PolarHBondContact O-N 3.02Å; W319-R321 VanDerWaalsContact O-N 3.13Å
322	H	93.2	Very high	92.9	Very high	106 Å²	106	56.6 Å²	56.6	49%	0.491	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-26.7	-171.7	-57	-67.3	0	0	0	112.9	P166 R167 W319 M320	P166-H322 WeakPolarHBondContact CA-O 3.29Å; R167-H322 PolarHBondContact N-O 3.1Å; W319-H322 PolarHBondContact O-N 3.37Å; M320-H322 PolarHBondContact O-N 2.88Å
323	Y	95.5	Very high	92.7	Very high	98 Å²	98	55.4 Å²	55.4	38%	0.384	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.4	-173.6	-54.1	-85.4	0	0	0	113	M164 M165 P166 R167 W319	M164-Y323 HydrophobicContact CB-CD1 4.29Å; M164-Y323 HydrophobicContact CB-CG 4.46Å; M165-Y323 CarbonylContact O-C 3.48Å; M165-Y323 WeakPolarHBondContact O-CA 3.48Å; P166-Y323 HydrophobicContact CB-CD1 4.47Å; P166-Y323 HydrophobicContact CG-CD1 4.29Å; P166-Y323 HydrophobicContact CG-CE1 4.14Å; R167-Y323 PolarHBondContact NE-O 2.78Å; W319-Y323 PolarHBondContact O-N 3Å
324	E	94.3	Very high	92.5	Very high	70 Å²	70	58.9 Å²	58.9	33%	0.327	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.3	164	-75.6	163.8	-158.6	0	0	108.6	M164 M165 R167 I326	M164-E324 CarbonylContact C-O 3.47Å; M164-E324 WeakPolarHBondContact CA-O 3.26Å; M165-E324 PolarHBondContact N-O 2.81Å; M165-E324 PolarHBondContact O-N 3.01Å; R167-E324 HydrophobicContact CG-CG 3.89Å; R167-E324 VanDerWaalsContact CZ-CG 3.49Å; R167-E324 IonicContact CZ-OE1 3.98Å; R167-E324 IonicContact NH1-OE1 2.78Å; R167-E324 PolarHBondContact NH1-OE1 2.8Å; E324-I326 HydrophobicContact CB-CD1 4.32Å
325	S	95.4	Very high	92.5	Very high	14 Å²	14	58.8 Å²	58.8	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.4	170.3	179.5	0	0	0	0	108.8	F261	F261-S325 WeakPolarHBondContact CA-OG 3.29Å; F261-S325 WeakPolarHBondContact CB-OG 3.42Å; F261-S325 PolarHBondContact O-OG 3.41Å
326	I	93.4	Very high	92.5	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.3	179.6	-51.7	-60.6	0	0	0	108.7	G162 Y163 M165 E324 R330	G162-I326 CarbonylContact C-O 3.57Å; G162-I326 WeakPolarHBondContact CA-O 3.45Å; Y163-I326 HydrophobicContact CD1-CB 4.32Å; Y163-I326 HydrophobicContact CD1-CG2 4.43Å; Y163-I326 HydrophobicContact CD2-CB 4.4Å; Y163-I326 HydrophobicContact CD2-CG1 4.33Å; Y163-I326 HydrophobicContact CE1-CB 4.08Å; Y163-I326 HydrophobicContact CE1-CG2 3.78Å; Y163-I326 HydrophobicContact CE2-CB 4.19Å; Y163-I326 HydrophobicContact CE2-CG1 3.97Å; Y163-I326 HydrophobicContact CE2-CG2 4.44Å; Y163-I326 HydrophobicContact CG-CB 4.46Å; Y163-I326 PolarHBondContact N-O 3.18Å; Y163-I326 WeakPolarHBondContact O-CB 3.41Å; Y163-I326 PolarHBondContact O-N 2.98Å; M165-I326 HydrophobicContact CB-CD1 4.34Å; M165-I326 HydrophobicContact CB-CG1 3.9Å; M165-I326 HydrophobicContact CE-CD1 3.7Å; M165-I326 HydrophobicContact CE-CG1 3.68Å; E324-I326 HydrophobicContact CB-CD1 4.32Å; I326-R330 HydrophobicContact CG2-CB 3.74Å; I326-R330 HydrophobicContact CG2-CG 4.14Å
327	G	87.3	Confident	92.4	Very high	14 Å²	14	50.7 Å²	50.7	14%	0.144	23%	0.228	C	C	.	.			trans	-82.4	-172.5	178.6	0	0	0	0	0	114.2	F161 E329	F161-G327 CarbonylContact O-C 3.56Å; G327-E329 VanDerWaalsContact C-N 3.3Å; G327-E329 PolarHBondContact O-N 3.14Å
328	E	84.8	Confident	92.5	Very high	71 Å²	71	54 Å²	54	33%	0.332	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	-169.4	-171.8	173.2	-174.2	0	0	114.5	F161 R330 S331	F161-E328 HydrophobicContact CD1-CG 4.26Å; F161-E328 WeakPolarHBondContact CD1-OE1 3.14Å; F161-E328 WeakPolarHBondContact O-CA 3.34Å; F161-E328 WeakPolarHBondContact O-CB 3.3Å; F161-E328 PolarHBondContact O-N 3.32Å; E328-R330 VanDerWaalsContact C-N 3.33Å; E328-R330 PolarHBondContact O-N 3.31Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.42Å
329	E	77.6	Confident	92.6	Very high	182 Å²	182	49.7 Å²	49.7	85%	0.85	22%	0.223	S	C	*	.	H	α-helix	trans	-56.6	-44.4	-178.3	-172.2	-175.8	174.5	0	0	112.5	G327 S331	G327-E329 VanDerWaalsContact C-N 3.3Å; G327-E329 PolarHBondContact O-N 3.14Å; E329-S331 VanDerWaalsContact C-N 3.31Å
330	R	85.9	Confident	92.7	Very high	126 Å²	126	48.7 Å²	48.7	48%	0.475	22%	0.219	S	C	.	.	H	α-helix	trans	-83.2	-9.6	177.5	-63.4	-167.3	178.3	-174.7	-1.7	113.4	I326 E328 A333 K334	I326-R330 HydrophobicContact CG2-CB 3.74Å; I326-R330 HydrophobicContact CG2-CG 4.14Å; E328-R330 VanDerWaalsContact C-N 3.33Å; E328-R330 PolarHBondContact O-N 3.31Å; R330-A333 PolarHBondContact O-N 2.84Å; R330-K334 PolarHBondContact O-N 3.11Å
331	S	85.1	Confident	92.8	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-70	-39.9	-178.8	-74.5	0	0	0	0	113	M159 P160 F161 G162 E328 E329 A333 K334 G335	M159-S331 VanDerWaalsContact CG-O 3.25Å; M159-S331 WeakPolarHBondContact CG-O 3.28Å; P160-S331 WeakPolarHBondContact O-CB 3.46Å; P160-S331 PolarHBondContact O-OG 2.91Å; F161-S331 VanDerWaalsContact C-OG 3.24Å; F161-S331 PolarHBondContact O-OG 3.24Å; G162-S331 PolarHBondContact N-OG 2.84Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.42Å; E329-S331 VanDerWaalsContact C-N 3.31Å; S331-A333 VanDerWaalsContact C-N 3.32Å; S331-A333 PolarHBondContact O-N 2.83Å; S331-K334 WeakPolarHBondContact O-CB 3.44Å; S331-K334 PolarHBondContact O-N 3.45Å; S331-G335 PolarHBondContact O-N 3.47Å; S331-G335 VanDerWaalsContact O-N 3.1Å
332	H	91.7	Very high	93	Very high	40 Å²	40	50.6 Å²	50.6	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-46.1	174.2	-64.1	154.6	0	0	0	110.8	F71 V75 K334 G335 F336	F71-H332 HydrophobicContact CE1-CB 4.49Å; F71-H332 AromaticContact CE1-CE1 3.89Å; F71-H332 AromaticContact CE1-CG 3.89Å; F71-H332 AromaticContact CE1-ND1 3.73Å; V75-H332 HydrophobicContact CG1-CB 4.47Å; H332-K334 VanDerWaalsContact C-N 3.31Å; H332-K334 PolarHBondContact O-N 3.37Å; H332-G335 PolarHBondContact O-N 3.15Å; H332-F336 WeakPolarHBondContact O-CD2 3.4Å; H332-F336 PolarHBondContact O-N 3.39Å
333	A	94	Very high	93.2	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-56.8	-46	176.7	0	0	0	0	0	111.7	V75 D78 R330 S331 G335 F336 C337	V75-A333 VanDerWaalsContact O-CA 3.29Å; V75-A333 WeakPolarHBondContact O-CA 3.39Å; D78-A333 HydrophobicContact CB-CB 4.06Å; R330-A333 PolarHBondContact O-N 2.84Å; S331-A333 VanDerWaalsContact C-N 3.32Å; S331-A333 PolarHBondContact O-N 2.83Å; A333-G335 PolarHBondContact O-N 2.97Å; A333-F336 PolarHBondContact O-N 2.8Å; A333-C337 WeakPolarHBondContact O-CB 3.29Å; A333-C337 PolarHBondContact O-N 3.31Å; A333-C337 PolarHBondContact O-SG 3.41Å
334	K	94.6	Very high	93.2	Very high	73 Å²	73	43.5 Å²	43.5	32%	0.317	20%	0.197	S	C	.	.	H	α-helix	trans	-55.1	-49.3	175.6	-175.5	171.3	-177.1	166	0	113.2	P160 Y163 R330 S331 H332 Q338	P160-K334 HydrophobicContact CG-CD 4.31Å; Y163-K334 HydrophobicContact CD1-CD 4.1Å; Y163-K334 HydrophobicContact CE1-CD 3.96Å; R330-K334 PolarHBondContact O-N 3.11Å; S331-K334 WeakPolarHBondContact O-CB 3.44Å; S331-K334 PolarHBondContact O-N 3.45Å; H332-K334 VanDerWaalsContact C-N 3.31Å; H332-K334 PolarHBondContact O-N 3.37Å; K334-Q338 WeakPolarHBondContact O-CB 3.42Å; K334-Q338 PolarHBondContact O-N 3.41Å
335	G	96.8	Very high	93.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-48.7	-179.4	0	0	0	0	0	112.9	I157 S331 H332 A333 Q338 L339	I157-G335 WeakPolarHBondContact CG2-O 3.34Å; S331-G335 PolarHBondContact O-N 3.47Å; S331-G335 VanDerWaalsContact O-N 3.1Å; H332-G335 PolarHBondContact O-N 3.15Å; A333-G335 PolarHBondContact O-N 2.97Å; G335-Q338 PolarHBondContact O-N 2.73Å; G335-L339 PolarHBondContact O-N 2.93Å
336	F	97.4	Very high	92.9	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-40.9	179.8	-85.6	-87.6	0	0	0	112.3	I60 M62 F71 V75 F76 V86 I100 M149 H332 A333 Q338 L339 C340	I60-F336 HydrophobicContact CG2-CE1 4.39Å; M62-F336 HydrophobicContact SD-CE1 4.38Å; M62-F336 HydrophobicContact SD-CZ 4.03Å; F71-F336 HydrophobicContact CB-CZ 4.26Å; F71-F336 HydrophobicContact CD1-CE2 4.17Å; F71-F336 AromaticContact CD2-CE2 3.86Å; F71-F336 HydrophobicContact CD2-CE2 3.86Å; F71-F336 AromaticContact CD2-CZ 3.58Å; F71-F336 HydrophobicContact CD2-CZ 3.58Å; F71-F336 HydrophobicContact CE1-CE2 4.31Å; F71-F336 AromaticContact CE2-CE2 4Å; F71-F336 HydrophobicContact CE2-CE2 4Å; F71-F336 HydrophobicContact CE2-CZ 4.02Å; F71-F336 AromaticContact CG-CE2 3.95Å; F71-F336 HydrophobicContact CG-CE2 3.95Å; F71-F336 AromaticContact CG-CZ 3.89Å; F71-F336 HydrophobicContact CG-CZ 3.89Å; F71-F336 HydrophobicContact CZ-CE2 4.22Å; V75-F336 HydrophobicContact CB-CB 3.86Å; V75-F336 HydrophobicContact CB-CD1 4.32Å; V75-F336 HydrophobicContact CB-CD2 3.7Å; V75-F336 HydrophobicContact CB-CE2 4.32Å; V75-F336 HydrophobicContact CB-CG 3.7Å; V75-F336 HydrophobicContact CG1-CD2 3.93Å; V75-F336 HydrophobicContact CG1-CE2 4.09Å; V75-F336 HydrophobicContact CG1-CG 4.37Å; V75-F336 HydrophobicContact CG2-CB 3.83Å; V75-F336 HydrophobicContact CG2-CD1 3.7Å; V75-F336 HydrophobicContact CG2-CD2 4.01Å; V75-F336 HydrophobicContact CG2-CE1 4.24Å; V75-F336 HydrophobicContact CG2-CG 3.57Å; V75-F336 WeakPolarHBondContact O-CB 3.48Å; F76-F336 HydrophobicContact CD1-CB 4.23Å; F76-F336 HydrophobicContact CE1-CB 3.79Å; F76-F336 HydrophobicContact CE1-CD1 4.29Å; F76-F336 HydrophobicContact CZ-CB 4.34Å; F76-F336 HydrophobicContact CZ-CD1 4.03Å; V86-F336 HydrophobicContact CG2-CE1 4.01Å; I100-F336 HydrophobicContact CD1-CE1 3.84Å; I100-F336 HydrophobicContact CD1-CZ 4.24Å; M149-F336 HydrophobicContact CE-CD2 3.96Å; M149-F336 HydrophobicContact CE-CE2 4.04Å; M149-F336 HydrophobicContact CE-CG 4.38Å; H332-F336 WeakPolarHBondContact O-CD2 3.4Å; H332-F336 PolarHBondContact O-N 3.39Å; A333-F336 PolarHBondContact O-N 2.8Å; F336-Q338 VanDerWaalsContact C-N 3.35Å; F336-Q338 PolarHBondContact O-N 2.97Å; F336-L339 PolarHBondContact O-N 2.91Å; F336-C340 WeakPolarHBondContact O-CB 3Å; F336-C340 PolarHBondContact O-N 3.13Å
337	C	97.5	Very high	92.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-41.2	172.8	-69.6	0	0	0	0	112.1	C79 A333 C340 R341	C79-C337 HydrophobicContact CB-CB 3.71Å; C79-C337 WeakPolarHBondContact CB-SG 3.33Å; C79-C337 WeakPolarHBondContact SG-CA 3.42Å; C79-C337 WeakPolarHBondContact SG-CB 3.44Å; C79-C337 CovalentContact SG-SG 2.02Å; C79-C337 PolarHBondContact SG-SG 3.05Å; A333-C337 WeakPolarHBondContact O-CB 3.29Å; A333-C337 PolarHBondContact O-N 3.31Å; A333-C337 PolarHBondContact O-SG 3.41Å; C337-C340 WeakPolarHBondContact O-CB 2.84Å; C337-C340 PolarHBondContact O-N 2.77Å; C337-R341 WeakPolarHBondContact O-CG 3.28Å; C337-R341 PolarHBondContact O-N 2.92Å
338	Q	97.9	Very high	92.8	Very high	69 Å²	69	53.3 Å²	53.3	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-45.5	176	-176.3	-175.7	9	0	0	111.7	D156 I157 Q158 K334 G335 F336 C340 R341 K342	D156-Q338 PolarHBondContact O-NE2 3.5Å; I157-Q338 HydrophobicContact CD1-CG 4.16Å; I157-Q338 HydrophobicContact CG2-CB 4.18Å; I157-Q338 HydrophobicContact CG2-CG 4.37Å; Q158-Q338 PolarHBondContact O-OE1 3.3Å; K334-Q338 WeakPolarHBondContact O-CB 3.42Å; K334-Q338 PolarHBondContact O-N 3.41Å; G335-Q338 PolarHBondContact O-N 2.73Å; F336-Q338 VanDerWaalsContact C-N 3.35Å; F336-Q338 PolarHBondContact O-N 2.97Å; Q338-C340 VanDerWaalsContact C-N 3.34Å; Q338-C340 PolarHBondContact O-N 2.95Å; Q338-R341 PolarHBondContact O-N 3.06Å; Q338-K342 WeakPolarHBondContact O-CB 3.23Å; Q338-K342 PolarHBondContact O-N 3.08Å
339	L	98.5	Very high	93	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-47.1	175.2	176	59.5	0	0	0	111.1	I60 I100 V122 L147 M149 I157 G335 F336 R341 K342 L343	I60-L339 HydrophobicContact CD1-CD2 4.02Å; I60-L339 HydrophobicContact CD1-CG 4.1Å; I60-L339 HydrophobicContact CG1-CD2 4.48Å; I60-L339 HydrophobicContact CG2-CD2 4.24Å; I100-L339 HydrophobicContact CD1-CD2 3.67Å; I100-L339 HydrophobicContact CG1-CD2 4.24Å; V122-L339 HydrophobicContact CG2-CD1 4.46Å; L147-L339 HydrophobicContact CD1-CD1 4.16Å; M149-L339 HydrophobicContact SD-CD2 4.26Å; I157-L339 HydrophobicContact CD1-CB 4.02Å; I157-L339 HydrophobicContact CD1-CD1 4.07Å; I157-L339 HydrophobicContact CG1-CB 4.05Å; I157-L339 HydrophobicContact CG1-CD1 3.98Å; I157-L339 HydrophobicContact CG2-CB 4.09Å; G335-L339 PolarHBondContact O-N 2.93Å; F336-L339 PolarHBondContact O-N 2.91Å; L339-R341 PolarHBondContact O-N 3.33Å; L339-K342 WeakPolarHBondContact O-CB 3.4Å; L339-K342 PolarHBondContact O-N 3.25Å; L339-L343 HydrophobicContact CD1-CD1 3.9Å; L339-L343 HydrophobicContact CD1-CD2 4.41Å; L339-L343 HydrophobicContact CD1-CG 3.98Å; L339-L343 HydrophobicContact CG-CD1 3.9Å; L339-L343 HydrophobicContact CG-CG 4.38Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.33Å; L339-L343 PolarHBondContact O-N 3.29Å
340	C	98.2	Very high	93.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-50.6	177.7	177.1	0	0	0	0	112.5	F76 L82 C84 F336 C337 Q338 K342 L343 K344	F76-C340 HydrophobicContact CD1-CB 4.39Å; F76-C340 HydrophobicContact CE1-CB 3.96Å; L82-C340 WeakPolarHBondContact CB-SG 3.38Å; L82-C340 HydrophobicContact CD1-CB 3.95Å; L82-C340 VanDerWaalsContact CD1-SG 3.52Å; C84-C340 HydrophobicContact CB-CB 3.86Å; C84-C340 WeakPolarHBondContact CB-SG 3.34Å; C84-C340 VanDerWaalsContact SG-CA 3.55Å; C84-C340 WeakPolarHBondContact SG-CB 3.42Å; C84-C340 CovalentContact SG-SG 1.98Å; C84-C340 PolarHBondContact SG-SG 3.15Å; F336-C340 WeakPolarHBondContact O-CB 3Å; F336-C340 PolarHBondContact O-N 3.13Å; C337-C340 WeakPolarHBondContact O-CB 2.84Å; C337-C340 PolarHBondContact O-N 2.77Å; Q338-C340 VanDerWaalsContact C-N 3.34Å; Q338-C340 PolarHBondContact O-N 2.95Å; C340-K342 VanDerWaalsContact C-N 3.31Å; C340-K342 PolarHBondContact O-N 3.09Å; C340-L343 PolarHBondContact O-N 3.43Å; C340-K344 PolarHBondContact O-N 3.4Å
341	R	97.5	Very high	93.6	Very high	113 Å²	113	51 Å²	51	43%	0.426	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-45.5	176.2	-71.1	-175.6	-176.5	106.5	5.2	111.5	E81 L82 C337 Q338 L339 L343 K344 Q345	E81-R341 IonicContact OE1-CZ 3.42Å; E81-R341 IonicContact OE1-NH2 3.33Å; E81-R341 PolarHBondContact OE1-NH2 3.41Å; L82-R341 HydrophobicContact CD1-CB 4.45Å; L82-R341 HydrophobicContact CD1-CG 3.32Å; L82-R341 HydrophobicContact CD2-CG 3.7Å; L82-R341 HydrophobicContact CG-CG 4.15Å; C337-R341 WeakPolarHBondContact O-CG 3.28Å; C337-R341 PolarHBondContact O-N 2.92Å; Q338-R341 PolarHBondContact O-N 3.06Å; L339-R341 PolarHBondContact O-N 3.33Å; R341-L343 PolarHBondContact O-N 3.26Å; R341-K344 PolarHBondContact O-N 3Å; R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.3Å
342	K	97.1	Very high	93.8	Very high	65 Å²	65	55 Å²	55	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-47.4	178.3	-174.8	172.7	-178.4	55.9	0	111.5	L147 I157 Q338 L339 C340 Q345 M346	L147-K342 HydrophobicContact CD1-CD 4.31Å; L147-K342 HydrophobicContact CD2-CD 4.39Å; I157-K342 HydrophobicContact CD1-CB 4.29Å; I157-K342 HydrophobicContact CD1-CD 3.83Å; Q338-K342 WeakPolarHBondContact O-CB 3.23Å; Q338-K342 PolarHBondContact O-N 3.08Å; L339-K342 WeakPolarHBondContact O-CB 3.4Å; L339-K342 PolarHBondContact O-N 3.25Å; C340-K342 VanDerWaalsContact C-N 3.31Å; C340-K342 PolarHBondContact O-N 3.09Å; K342-Q345 PolarHBondContact O-N 3.49Å; K342-M346 HydrophobicContact CG-SD 4.08Å; K342-M346 WeakPolarHBondContact O-CB 3.28Å; K342-M346 VanDerWaalsContact O-CG 3.23Å; K342-M346 WeakPolarHBondContact O-CG 3.36Å; K342-M346 PolarHBondContact O-N 3.12Å
343	L	96.8	Very high	93.9	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-41.4	179.7	-65.9	171.3	0	0	0	112.3	I58 I60 A98 H120 L339 C340 R341 M346 R347	I58-L343 HydrophobicContact CG2-CB 3.82Å; I58-L343 HydrophobicContact CG2-CD1 3.77Å; I58-L343 HydrophobicContact CG2-CG 4.46Å; I60-L343 HydrophobicContact CD1-CD1 4.01Å; I60-L343 HydrophobicContact CG1-CD1 3.78Å; A98-L343 HydrophobicContact CB-CD1 3.62Å; A98-L343 HydrophobicContact CB-CD2 4.08Å; A98-L343 HydrophobicContact CB-CG 4.48Å; H120-L343 HydrophobicContact CB-CD2 4.47Å; L339-L343 HydrophobicContact CD1-CD1 3.9Å; L339-L343 HydrophobicContact CD1-CD2 4.41Å; L339-L343 HydrophobicContact CD1-CG 3.98Å; L339-L343 HydrophobicContact CG-CD1 3.9Å; L339-L343 HydrophobicContact CG-CG 4.38Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.33Å; L339-L343 PolarHBondContact O-N 3.29Å; C340-L343 PolarHBondContact O-N 3.43Å; R341-L343 PolarHBondContact O-N 3.26Å; L343-M346 PolarHBondContact O-N 2.98Å; L343-R347 WeakPolarHBondContact O-CB 3.16Å; L343-R347 PolarHBondContact O-N 3.42Å
344	K	94.7	Very high	93.9	Very high	47 Å²	47	58 Å²	58	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-48.2	174	-73.8	-160.9	98.6	157.2	0	111.6	D56 I58 L82 C340 R341 M346 R347 Q348	D56-K344 IonicContact OD1-NZ 3.15Å; D56-K344 IonicContact OD2-NZ 3.21Å; D56-K344 PolarHBondContact OD2-NZ 3.21Å; I58-K344 HydrophobicContact CD1-CG 4.3Å; I58-K344 HydrophobicContact CG1-CD 4.48Å; I58-K344 HydrophobicContact CG1-CG 3.51Å; L82-K344 HydrophobicContact CB-CD 4.25Å; L82-K344 HydrophobicContact CD2-CD 4.39Å; L82-K344 VanDerWaalsContact O-CD 3.22Å; L82-K344 WeakPolarHBondContact O-CD 3.45Å; L82-K344 WeakPolarHBondContact O-CE 3.23Å; L82-K344 PolarHBondContact O-NZ 3.12Å; C340-K344 PolarHBondContact O-N 3.4Å; R341-K344 PolarHBondContact O-N 3Å; K344-M346 PolarHBondContact O-N 3.26Å; K344-R347 PolarHBondContact O-N 3.26Å; K344-Q348 WeakPolarHBondContact O-CB 3.16Å; K344-Q348 PolarHBondContact O-N 3.03Å
345	Q	93.5	Very high	94.1	Very high	104 Å²	104	56.1 Å²	56.1	49%	0.486	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-49.5	179	-177.1	177.8	7.9	0	0	111.1	R341 K342 R347 Q348 Y349	R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.3Å; K342-Q345 PolarHBondContact O-N 3.49Å; Q345-R347 VanDerWaalsContact C-N 3.31Å; Q345-R347 PolarHBondContact O-N 3.39Å; Q345-Q348 WeakPolarHBondContact O-CB 3.36Å; Q345-Q348 PolarHBondContact O-N 3.06Å; Q345-Q348 VanDerWaalsContact O-N 3.15Å; Q345-Y349 HydrophobicContact CG-CD2 3.73Å; Q345-Y349 HydrophobicContact CG-CE2 3.79Å; Q345-Y349 WeakPolarHBondContact O-CD2 3.33Å; Q345-Y349 PolarHBondContact O-N 3.43Å
346	M	91.3	Very high	94.1	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-41.6	179.7	-71.6	-176.9	67.4	0	0	112.2	H120 K342 L343 K344 Y349 N350 E351	H120-M346 WeakPolarHBondContact NE2-CE 3.38Å; H120-M346 PolarHBondContact NE2-SD 2.88Å; K342-M346 HydrophobicContact CG-SD 4.08Å; K342-M346 WeakPolarHBondContact O-CB 3.28Å; K342-M346 VanDerWaalsContact O-CG 3.23Å; K342-M346 WeakPolarHBondContact O-CG 3.36Å; K342-M346 PolarHBondContact O-N 3.12Å; L343-M346 PolarHBondContact O-N 2.98Å; K344-M346 PolarHBondContact O-N 3.26Å; M346-Y349 PolarHBondContact O-N 3.39Å; M346-N350 WeakPolarHBondContact O-CA 3.43Å; M346-N350 PolarHBondContact O-N 3.49Å; M346-E351 HydrophobicContact CB-CB 4.09Å; M346-E351 HydrophobicContact CE-CB 4.04Å; M346-E351 HydrophobicContact CG-CB 4.19Å; M346-E351 PolarHBondContact O-N 3.07Å
347	R	88.8	Confident	94.1	Very high	61 Å²	61	66.2 Å²	66.2	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-43.1	175.3	178.5	174.4	153.2	-168.4	-14.6	112.1	N52 R53 N55 L343 K344 Q345 Y349 N350	N52-R347 PolarHBondContact O-NE 3.39Å; N52-R347 PolarHBondContact O-NH1 2.9Å; N52-R347 VanDerWaalsContact O-NH1 3.08Å; N52-R347 PolarHBondContact O-NH2 3.18Å; R53-R347 PolarHBondContact O-NH2 3.39Å; N55-R347 PolarHBondContact O-NH1 3Å; N55-R347 PolarHBondContact O-NH2 2.82Å; L343-R347 WeakPolarHBondContact O-CB 3.16Å; L343-R347 PolarHBondContact O-N 3.42Å; K344-R347 PolarHBondContact O-N 3.26Å; Q345-R347 VanDerWaalsContact C-N 3.31Å; Q345-R347 PolarHBondContact O-N 3.39Å; R347-Y349 VanDerWaalsContact C-N 3.27Å; R347-Y349 PolarHBondContact O-N 2.99Å; R347-N350 PolarHBondContact O-N 3.14Å
348	Q	88.8	Confident	94.2	Very high	138 Å²	138	66.7 Å²	66.7	65%	0.645	33%	0.326	S	S	*	.	H	α-helix	trans	-58.6	-39.9	177.9	-177.5	179.8	0.6	0	0	111.8	K344 Q345	K344-Q348 WeakPolarHBondContact O-CB 3.16Å; K344-Q348 PolarHBondContact O-N 3.03Å; Q345-Q348 WeakPolarHBondContact O-CB 3.36Å; Q345-Q348 PolarHBondContact O-N 3.06Å; Q345-Q348 VanDerWaalsContact O-N 3.15Å
349	Y	89.8	Confident	94.2	Very high	145 Å²	145	63.5 Å²	63.5	57%	0.569	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	5	-179.2	-65.4	-68	0	0	0	114.4	Q345 M346 R347 E351	Q345-Y349 HydrophobicContact CG-CD2 3.73Å; Q345-Y349 HydrophobicContact CG-CE2 3.79Å; Q345-Y349 WeakPolarHBondContact O-CD2 3.33Å; Q345-Y349 PolarHBondContact O-N 3.43Å; M346-Y349 PolarHBondContact O-N 3.39Å; R347-Y349 VanDerWaalsContact C-N 3.27Å; R347-Y349 PolarHBondContact O-N 2.99Å; Y349-E351 PolarHBondContact O-N 2.99Å
350	N	86.5	Confident	94.1	Very high	96 Å²	96	70 Å²	70	51%	0.513	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	42.6	-173.3	-58.2	-81.9	0	0	0	112.7	R53 M346 R347	R53-N350 PolarHBondContact NH2-OD1 3.46Å; M346-N350 WeakPolarHBondContact O-CA 3.43Å; M346-N350 PolarHBondContact O-N 3.49Å; R347-N350 PolarHBondContact O-N 3.14Å
351	E	88.7	Confident	94.1	Very high	88 Å²	88	72 Å²	72	41%	0.411	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-67.9	132.7	178.6	-69.8	-178.5	-147.7	0	0	111	M346 Y349	M346-E351 HydrophobicContact CB-CB 4.09Å; M346-E351 HydrophobicContact CE-CB 4.04Å; M346-E351 HydrophobicContact CG-CB 4.19Å; M346-E351 PolarHBondContact O-N 3.07Å; Y349-E351 PolarHBondContact O-N 2.99Å
352	C	90	Very high	94.1	Very high	85 Å²	85	66.6 Å²	66.6	57%	0.574	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-68.8	134	175.5	-65.2	0	0	0	0	111	S354	C352-S354 PolarHBondContact O-N 2.99Å
353	V	94.2	Very high	94.1	Very high	23 Å²	23	66.8 Å²	66.8	14%	0.139	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-71.8	119.4	174	177.1	0	0	0	0	110	P117 T146	P117-V353 WeakPolarHBondContact O-CB 3.35Å; T146-V353 HydrophobicContact CG2-CG1 3.91Å
354	S	94.6	Very high	94.1	Very high	84 Å²	84	68.5 Å²	68.5	59%	0.587	35%	0.347	S	S	*	.			trans	-137.1	162.6	171.9	60	0	0	0	0	110	C352 S356	C352-S354 PolarHBondContact O-N 2.99Å; S354-S356 PolarHBondContact O-N 3.15Å
355	A	97.5	Very high	94.2	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	34%	0.341	S	S	.	.			trans	-71.6	126.3	177	0	0	0	0	0	111.3	K360	A355-K360 HydrophobicContact CB-CG 3.95Å; A355-K360 WeakPolarHBondContact O-CE 3.37Å
356	S	97.7	Very high	94.4	Very high	21 Å²	21	62.4 Å²	62.4	15%	0.147	32%	0.319	C	S	.	.			trans	-61.9	168.8	172.9	74.9	0	0	0	0	112.1	T146 D156 S354 T358 A359 K360	T146-S356 PolarHBondContact O-N 3Å; D156-S356 VanDerWaalsContact CG-CB 3.49Å; D156-S356 WeakPolarHBondContact OD1-CB 3.01Å; D156-S356 PolarHBondContact OD1-OG 3.4Å; D156-S356 VanDerWaalsContact OD1-OG 3.06Å; D156-S356 WeakPolarHBondContact OD2-CB 3.01Å; D156-S356 PolarHBondContact OD2-OG 2.98Å; S354-S356 PolarHBondContact O-N 3.15Å; S356-T358 PolarHBondContact O-N 3.41Å; S356-T358 PolarHBondContact OG-OG1 3.42Å; S356-T358 VanDerWaalsContact OG-OG1 3.12Å; S356-A359 PolarHBondContact O-N 3.34Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.4Å; S356-A359 PolarHBondContact OG-N 2.92Å; S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.46Å; S356-K360 PolarHBondContact O-N 3.4Å
357	K	97.6	Very high	94.5	Very high	193 Å²	193	63.7 Å²	63.7	84%	0.839	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.7	177.6	-176.7	-179	175.8	-175.6	0	112.2
358	T	97.8	Very high	94.8	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.074	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-28.7	-178	53.3	0	0	0	0	112.6	T148 D154 D156 S356 W365	T148-T358 PolarHBondContact OG1-OG1 3.13Å; D154-T358 WeakPolarHBondContact O-CG2 3.2Å; D156-T358 PolarHBondContact OD2-OG1 3.01Å; S356-T358 PolarHBondContact O-N 3.41Å; S356-T358 PolarHBondContact OG-OG1 3.42Å; S356-T358 VanDerWaalsContact OG-OG1 3.12Å; T358-W365 HydrophobicContact CG2-CD2 4.02Å; T358-W365 HydrophobicContact CG2-CG 3.97Å; T358-W365 HydrophobicContact CG2-CZ2 4.27Å; T358-W365 VanDerWaalsContact CG2-NE1 3.29Å
359	A	98.3	Very high	95.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.008	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.8	178.6	0	0	0	0	0	114.5	T146 T148 S356 D361	T146-A359 WeakPolarHBondContact O-CB 3.16Å; T148-A359 HydrophobicContact CG2-CB 4.14Å; S356-A359 PolarHBondContact O-N 3.34Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.4Å; S356-A359 PolarHBondContact OG-N 2.92Å; A359-D361 VanDerWaalsContact C-N 3.32Å; A359-D361 PolarHBondContact O-N 3.28Å
360	K	97.8	Very high	95.3	Very high	136 Å²	136	62.3 Å²	62.3	59%	0.591	34%	0.336	S	S	*	.	S	Bend	trans	-57.5	-42.7	178.4	-86.5	173.1	-175.2	-173.9	0	113.2	A355 S356	A355-K360 HydrophobicContact CB-CG 3.95Å; A355-K360 WeakPolarHBondContact O-CE 3.37Å; S356-K360 VanDerWaalsContact O-CG 3.28Å; S356-K360 WeakPolarHBondContact O-CG 3.46Å; S356-K360 PolarHBondContact O-N 3.4Å
361	D	97.8	Very high	95.6	Very high	43 Å²	43	59.9 Å²	59.9	23%	0.23	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-146.8	93.1	176.5	-174.6	-17.4	0	0	0	108.9	K142 A359 M363 A364 W365	K142-D361 WeakPolarHBondContact CE-OD2 3.42Å; K142-D361 HydrophobicContact CG-CB 4.34Å; K142-D361 IonicContact NZ-OD2 3.39Å; K142-D361 PolarHBondContact NZ-OD2 3.44Å; A359-D361 VanDerWaalsContact C-N 3.32Å; A359-D361 PolarHBondContact O-N 3.28Å; D361-M363 VanDerWaalsContact C-N 3.27Å; D361-M363 PolarHBondContact O-N 3.36Å; D361-M363 PolarHBondContact OD1-N 3.32Å; D361-M363 VanDerWaalsContact OD1-N 3.15Å; D361-A364 HydrophobicContact CB-CB 3.91Å; D361-A364 VanDerWaalsContact CG-CB 3.41Å; D361-A364 PolarHBondContact O-N 3.46Å; D361-A364 PolarHBondContact OD1-N 2.94Å; D361-W365 PolarHBondContact O-N 3.16Å; D361-W365 VanDerWaalsContact O-N 3.08Å
362	I	97.8	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-31	-176.9	-57.6	-165.5	0	0	0	111.1	F123 Y137 S141 Y145 T148 A364 W365 Y366	F123-I362 HydrophobicContact CB-CD1 3.26Å; F123-I362 HydrophobicContact CD1-CD1 3.93Å; F123-I362 HydrophobicContact CD1-CG2 4.07Å; F123-I362 HydrophobicContact CD2-CD1 3.76Å; F123-I362 HydrophobicContact CD2-CG2 4.28Å; F123-I362 HydrophobicContact CE1-CG2 3.93Å; F123-I362 HydrophobicContact CE2-CG2 4.14Å; F123-I362 HydrophobicContact CG-CD1 3.38Å; F123-I362 HydrophobicContact CG-CG2 4.24Å; F123-I362 HydrophobicContact CZ-CG2 3.97Å; Y137-I362 HydrophobicContact CE2-CG2 3.69Å; Y137-I362 PolarHBondContact OH-O 2.74Å; S141-I362 PolarHBondContact O-N 3.09Å; Y145-I362 HydrophobicContact CD2-CD1 3.22Å; Y145-I362 HydrophobicContact CD2-CG1 4.21Å; Y145-I362 HydrophobicContact CE2-CD1 3.88Å; Y145-I362 HydrophobicContact CG-CD1 3.66Å; T148-I362 HydrophobicContact CG2-CD1 4.3Å; I362-A364 VanDerWaalsContact C-N 3.32Å; I362-A364 PolarHBondContact O-N 3.08Å; I362-W365 HydrophobicContact CG2-CE3 4.28Å; I362-W365 PolarHBondContact O-N 2.99Å; I362-Y366 WeakPolarHBondContact O-CA 3.35Å; I362-Y366 VanDerWaalsContact O-CB 3.23Å; I362-Y366 WeakPolarHBondContact O-CB 3.36Å; I362-Y366 PolarHBondContact O-N 3.47Å
363	M	96.3	Very high	96.4	Very high	69 Å²	69	56.4 Å²	56.4	34%	0.34	30%	0.295	S	S	.	.	H	α-helix	trans	-69.9	-31.1	177	-80.5	-178.1	75.1	0	0	112.7	Y137 R138 D361 N367	Y137-M363 HydrophobicContact CD1-CG 4Å; Y137-M363 HydrophobicContact CE1-CG 3.49Å; Y137-M363 VanDerWaalsContact CE1-CG 3.49Å; Y137-M363 WeakPolarHBondContact OH-CA 3.39Å; R138-M363 HydrophobicContact CB-SD 4.22Å; R138-M363 HydrophobicContact CG-CE 4.48Å; R138-M363 HydrophobicContact CG-SD 4.1Å; D361-M363 VanDerWaalsContact C-N 3.27Å; D361-M363 PolarHBondContact O-N 3.36Å; D361-M363 PolarHBondContact OD1-N 3.32Å; D361-M363 VanDerWaalsContact OD1-N 3.15Å; M363-N367 WeakPolarHBondContact O-CB 3.2Å; M363-N367 PolarHBondContact O-ND2 3.45Å; M363-N367 VanDerWaalsContact O-ND2 3.09Å
364	A	96.5	Very high	96.6	Very high	42 Å²	42	58.4 Å²	58.4	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-74.9	-38.4	173.5	0	0	0	0	0	112.3	D361 I362	D361-A364 HydrophobicContact CB-CB 3.91Å; D361-A364 VanDerWaalsContact CG-CB 3.41Å; D361-A364 PolarHBondContact O-N 3.46Å; D361-A364 PolarHBondContact OD1-N 2.94Å; I362-A364 VanDerWaalsContact C-N 3.32Å; I362-A364 PolarHBondContact O-N 3.08Å
365	W	97	Very high	96.7	Very high	22 Å²	22	55.2 Å²	55.2	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-79.8	-45.9	-179.2	169.2	68.2	0	0	0	113.5	F123 T148 N150 R152 D154 A155 T358 D361 I362 N367 H371	F123-W365 HydrophobicContact CD1-CZ3 4.4Å; F123-W365 HydrophobicContact CE1-CZ3 4.42Å; T148-W365 HydrophobicContact CG2-CE3 3.86Å; T148-W365 HydrophobicContact CG2-CH2 3.98Å; T148-W365 HydrophobicContact CG2-CZ3 3.47Å; T148-W365 VanDerWaalsContact CG2-CZ3 3.47Å; N150-W365 VanDerWaalsContact ND2-CH2 3.28Å; N150-W365 WeakPolarHBondContact ND2-CH2 3.33Å; R152-W365 HydrophobicContact CB-CZ2 4.18Å; R152-W365 PolarHBondContact NH1-O 3.39Å; R152-W365 VanDerWaalsContact NH1-O 3.1Å; R152-W365 VanDerWaalsContact NH2-NE1 3.1Å; D154-W365 PolarHBondContact OD1-NE1 3.49Å; D154-W365 PolarHBondContact OD2-NE1 2.91Å; A155-W365 HydrophobicContact CB-CH2 4Å; A155-W365 HydrophobicContact CB-CZ2 3.97Å; T358-W365 HydrophobicContact CG2-CD2 4.02Å; T358-W365 HydrophobicContact CG2-CG 3.97Å; T358-W365 HydrophobicContact CG2-CZ2 4.27Å; T358-W365 VanDerWaalsContact CG2-NE1 3.29Å; D361-W365 PolarHBondContact O-N 3.16Å; D361-W365 VanDerWaalsContact O-N 3.08Å; I362-W365 HydrophobicContact CG2-CE3 4.28Å; I362-W365 PolarHBondContact O-N 2.99Å; W365-N367 PolarHBondContact O-N 3.41Å; W365-H371 PolarHBondContact O-CD2 3.43Å; W365-H371 PolarHBondContact O-NE2 2.82Å; W365-H371 VanDerWaalsContact O-NE2 3.11Å
366	Y	97	Very high	96.7	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.279	C	S	.	.	S	Bend	trans	-100.2	50.7	-174.2	-155.4	-112.8	0	0	0	111.7	F123 L125 E127 P129 T132 Y137 N150 Y151 R152 I362	F123-Y366 HydrophobicContact CE1-CD1 4.48Å; F123-Y366 HydrophobicContact CZ-CD1 4.41Å; L125-Y366 HydrophobicContact CD2-CE1 4.05Å; E127-Y366 PolarHBondContact O-OH 2.68Å; P129-Y366 HydrophobicContact CB-CD1 4.15Å; P129-Y366 HydrophobicContact CB-CE1 4.17Å; P129-Y366 HydrophobicContact CG-CD1 3.85Å; P129-Y366 HydrophobicContact CG-CD2 4.24Å; P129-Y366 HydrophobicContact CG-CE1 3.71Å; P129-Y366 HydrophobicContact CG-CE2 4.08Å; P129-Y366 HydrophobicContact CG-CG 4.12Å; T132-Y366 HydrophobicContact CG2-CD1 3.97Å; T132-Y366 HydrophobicContact CG2-CE1 4.1Å; Y137-Y366 PolarHBondContact OH-O 3.5Å; N150-Y366 VanDerWaalsContact ND2-CE2 3.25Å; N150-Y366 WeakPolarHBondContact ND2-CE2 3.25Å; Y151-Y366 HydrophobicContact CE1-CE2 4.47Å; Y151-Y366 WeakPolarHBondContact CE1-OH 3.48Å; Y151-Y366 VanDerWaalsContact CZ-OH 3.24Å; Y151-Y366 PolarHBondContact OH-OH 2.81Å; Y151-Y366 VanDerWaalsContact OH-OH 3.09Å; R152-Y366 HydrophobicContact CG-CE2 4.16Å; I362-Y366 WeakPolarHBondContact O-CA 3.35Å; I362-Y366 VanDerWaalsContact O-CB 3.23Å; I362-Y366 WeakPolarHBondContact O-CB 3.36Å; I362-Y366 PolarHBondContact O-N 3.47Å
367	N	94.4	Very high	96.7	Very high	44 Å²	44	53.6 Å²	53.6	24%	0.235	27%	0.272	C	S	.	.			trans	-98.2	132.6	-167.3	-169.9	-75.8	0	0	0	113.4	M363 W365 T369 K370 H371	M363-N367 WeakPolarHBondContact O-CB 3.2Å; M363-N367 PolarHBondContact O-ND2 3.45Å; M363-N367 VanDerWaalsContact O-ND2 3.09Å; W365-N367 PolarHBondContact O-N 3.41Å; N367-T369 WeakPolarHBondContact OD1-CA 3.37Å; N367-T369 WeakPolarHBondContact OD1-CB 3.33Å; N367-T369 PolarHBondContact OD1-N 3.46Å; N367-K370 HydrophobicContact CB-CB 4.29Å; N367-K370 HydrophobicContact CB-CG 4.45Å; N367-K370 PolarHBondContact OD1-N 3.3Å; N367-H371 WeakPolarHBondContact O-CB 3.42Å; N367-H371 PolarHBondContact O-N 3.24Å
368	V	95.4	Very high	96.6	Very high	40 Å²	40	45.9 Å²	45.9	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-55	175.4	168.7	0	0	0	0	112.2	P129 H130 K370 H371 C372 P374	P129-V368 HydrophobicContact CB-CB 4.49Å; P129-V368 HydrophobicContact CB-CG2 3.61Å; H130-V368 WeakPolarHBondContact CE1-CG1 3.46Å; V368-K370 PolarHBondContact O-N 3.37Å; V368-H371 PolarHBondContact O-N 3.47Å; V368-C372 HydrophobicContact CG1-CB 4.34Å; V368-C372 WeakPolarHBondContact O-CA 3.32Å; V368-C372 VanDerWaalsContact O-CB 3.29Å; V368-C372 WeakPolarHBondContact O-CB 3.34Å; V368-C372 PolarHBondContact O-N 2.82Å; V368-P374 HydrophobicContact CG1-CG 4.28Å
369	T	94.1	Very high	96.5	Very high	127 Å²	127	50.7 Å²	50.7	78%	0.779	26%	0.264	S	S	*	.	H	α-helix	trans	-61.8	-31.7	-172.6	-49.4	0	0	0	0	112.9	N367	N367-T369 WeakPolarHBondContact OD1-CA 3.37Å; N367-T369 WeakPolarHBondContact OD1-CB 3.33Å; N367-T369 PolarHBondContact OD1-N 3.46Å
370	K	93.3	Very high	96.4	Very high	148 Å²	148	51 Å²	51	64%	0.643	27%	0.266	S	S	*	.	H	α-helix	trans	-88	-27.2	-178.9	-67.2	-174.2	177.8	178.6	0	114.2	N367 V368	N367-K370 HydrophobicContact CB-CB 4.29Å; N367-K370 HydrophobicContact CB-CG 4.45Å; N367-K370 PolarHBondContact OD1-N 3.3Å; V368-K370 PolarHBondContact O-N 3.37Å
371	H	94.6	Very high	96.2	Very high	46 Å²	46	44.6 Å²	44.6	21%	0.213	24%	0.238	C	C	.	.	H	α-helix	trans	-126.4	-0	-165.3	-61.1	-58.2	0	0	0	114.3	R152 C252 T253 W365 N367 V368	R152-H371 PolarHBondContact NH1-CD2 3.41Å; R152-H371 PolarHBondContact NH1-NE2 3Å; C252-H371 CarbonylContact C-O 3.6Å; C252-H371 WeakPolarHBondContact CA-O 3.4Å; T253-H371 PolarHBondContact N-O 3.41Å; T253-H371 PolarHBondContact OG1-O 2.81Å; W365-H371 PolarHBondContact O-CD2 3.43Å; W365-H371 PolarHBondContact O-NE2 2.82Å; W365-H371 VanDerWaalsContact O-NE2 3.11Å; N367-H371 WeakPolarHBondContact O-CB 3.42Å; N367-H371 PolarHBondContact O-N 3.24Å; V368-H371 PolarHBondContact O-N 3.47Å
372	C	98	Very high	95.5	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.068	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-128.9	159.9	-179.2	-57.4	0	0	0	0	111.9	H130 V251 C252 V368 P374	H130-C372 WeakPolarHBondContact NE2-CB 3.49Å; V251-C372 CarbonylContact O-C 3.59Å; V251-C372 VanDerWaalsContact O-CA 3.25Å; V251-C372 WeakPolarHBondContact O-CA 3.4Å; C252-C372 HydrophobicContact CB-CB 4.05Å; C252-C372 WeakPolarHBondContact CB-SG 3.36Å; C252-C372 WeakPolarHBondContact SG-CB 3.2Å; C252-C372 CovalentContact SG-SG 2.04Å; C252-C372 PolarHBondContact SG-SG 3.46Å; V368-C372 HydrophobicContact CG1-CB 4.34Å; V368-C372 WeakPolarHBondContact O-CA 3.32Å; V368-C372 VanDerWaalsContact O-CB 3.29Å; V368-C372 WeakPolarHBondContact O-CB 3.34Å; V368-C372 PolarHBondContact O-N 2.82Å; C372-P374 WeakPolarHBondContact O-CD 3.36Å
373	Y	97.6	Very high	93.9	Very high	89 Å²	89	49.7 Å²	49.7	35%	0.349	27%	0.274	S	S	.	.			trans	-118	84.8	176.7	-56.8	-89.8	0	0	0	108.4	V251 K274 I277 Y376	V251-Y373 HydrophobicContact CG1-CD2 3.93Å; V251-Y373 HydrophobicContact CG1-CG 4.47Å; V251-Y373 PolarHBondContact O-N 3.41Å; K274-Y373 HydrophobicContact CD-CD2 3.94Å; K274-Y373 HydrophobicContact CD-CE2 3.94Å; K274-Y373 HydrophobicContact CD-CG 4.37Å; I277-Y373 HydrophobicContact CD1-CE2 4.22Å; Y373-Y376 WeakPolarHBondContact O-CB 3.21Å; Y373-Y376 PolarHBondContact O-N 3.31Å
374	P	96.8	Very high	92.1	Very high	65 Å²	65	51 Å²	51	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	141.8	176.6	-16.9	29.9	0	0	0	110.6	V368 C372 Y376 Q379	V368-P374 HydrophobicContact CG1-CG 4.28Å; C372-P374 WeakPolarHBondContact O-CD 3.36Å; P374-Y376 PolarHBondContact O-N 2.71Å; P374-Q379 PolarHBondContact O-NE2 3.28Å
375	G	96.9	Very high	90.2	Very high	17 Å²	17	51.6 Å²	51.6	18%	0.175	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	8.5	178.1	0	0	0	0	0	115	S200 S201 G377 S378 Q379	S200-G375 PolarHBondContact O-N 3.35Å; S201-G375 CarbonylContact O-C 3.56Å; G375-G377 VanDerWaalsContact C-N 3.34Å; G375-G377 PolarHBondContact O-N 2.79Å; G375-S378 WeakPolarHBondContact O-CA 3.28Å; G375-S378 WeakPolarHBondContact O-CB 3.5Å; G375-S378 PolarHBondContact O-N 3.32Å; G375-Q379 PolarHBondContact O-N 2.8Å
376	Y	97.6	Very high	88.1	Confident	20 Å²	20	59.1 Å²	59.1	8%	0.078	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-44.5	-170.6	-167.4	-110.1	0	0	0	113.6	S201 V251 L273 K274 D291 Y373 P374 S378 Q379 I380	S201-Y376 PolarHBondContact O-N 3.15Å; V251-Y376 HydrophobicContact CG1-CD1 4.16Å; V251-Y376 HydrophobicContact CG1-CG 4.42Å; V251-Y376 HydrophobicContact CG2-CD1 4.14Å; V251-Y376 HydrophobicContact CG2-CG 4.4Å; L273-Y376 HydrophobicContact CB-CD1 4.25Å; K274-Y376 HydrophobicContact CB-CD1 4.11Å; K274-Y376 HydrophobicContact CB-CE1 3.52Å; K274-Y376 HydrophobicContact CD-CD1 4.48Å; K274-Y376 HydrophobicContact CD-CE1 3.93Å; K274-Y376 HydrophobicContact CD-CE2 4.24Å; K274-Y376 HydrophobicContact CG-CE1 3.88Å; K274-Y376 PolarHBondContact NZ-OH 2.87Å; D291-Y376 HydrophobicContact CB-CE1 4.31Å; D291-Y376 VanDerWaalsContact CB-OH 3.24Å; D291-Y376 WeakPolarHBondContact CB-OH 3.35Å; D291-Y376 PolarHBondContact OD2-OH 3.27Å; D291-Y376 VanDerWaalsContact OD2-OH 3.08Å; Y373-Y376 WeakPolarHBondContact O-CB 3.21Å; Y373-Y376 PolarHBondContact O-N 3.31Å; P374-Y376 PolarHBondContact O-N 2.71Å; Y376-S378 VanDerWaalsContact C-N 3.27Å; Y376-S378 PolarHBondContact O-N 2.81Å; Y376-Q379 WeakPolarHBondContact O-CB 3.16Å; Y376-Q379 PolarHBondContact O-N 3.31Å; Y376-Q379 VanDerWaalsContact O-N 3.09Å; Y376-I380 HydrophobicContact CD1-CD1 4.27Å; Y376-I380 HydrophobicContact CD1-CG1 4.41Å; Y376-I380 HydrophobicContact CD1-CG2 4.32Å; Y376-I380 HydrophobicContact CD2-CG2 4.33Å; Y376-I380 HydrophobicContact CE1-CD1 3.95Å; Y376-I380 HydrophobicContact CE1-CG1 4.35Å; Y376-I380 HydrophobicContact CE1-CG2 3.82Å; Y376-I380 HydrophobicContact CE2-CG2 3.82Å; Y376-I380 WeakPolarHBondContact O-CG1 3.38Å; Y376-I380 PolarHBondContact O-N 3.36Å
377	G	97.8	Very high	85.7	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-35.3	176.5	0	0	0	0	0	113.2	S201 Y206 G375 G381	S201-G377 WeakPolarHBondContact O-CA 3.24Å; S201-G377 PolarHBondContact O-N 3.18Å; Y206-G377 WeakPolarHBondContact CB-O 3.24Å; G375-G377 VanDerWaalsContact C-N 3.34Å; G375-G377 PolarHBondContact O-N 2.79Å; G377-G381 WeakPolarHBondContact O-CA 3.45Å; G377-G381 PolarHBondContact O-N 3.49Å
378	S	96.5	Very high	83.4	Confident	31 Å²	31	69.2 Å²	69.2	22%	0.217	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-44.7	172.6	-170.8	0	0	0	0	111.4	G375 Y376 I380 G381 M382	G375-S378 WeakPolarHBondContact O-CA 3.28Å; G375-S378 WeakPolarHBondContact O-CB 3.5Å; G375-S378 PolarHBondContact O-N 3.32Å; Y376-S378 VanDerWaalsContact C-N 3.27Å; Y376-S378 PolarHBondContact O-N 2.81Å; S378-I380 PolarHBondContact O-N 2.95Å; S378-G381 PolarHBondContact O-N 3.46Å; S378-M382 WeakPolarHBondContact O-CG 3.21Å; S378-M382 PolarHBondContact O-N 2.77Å
379	Q	95.8	Very high	81	Confident	113 Å²	113	75.2 Å²	75.2	53%	0.528	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-47.9	-180	-66	167.4	-1.5	0	0	111.4	P374 G375 Y376 G381	P374-Q379 PolarHBondContact O-NE2 3.28Å; G375-Q379 PolarHBondContact O-N 2.8Å; Y376-Q379 WeakPolarHBondContact O-CB 3.16Å; Y376-Q379 PolarHBondContact O-N 3.31Å; Y376-Q379 VanDerWaalsContact O-N 3.09Å; Q379-G381 VanDerWaalsContact C-N 3.31Å; Q379-G381 PolarHBondContact O-N 3.3Å
380	I	96	Very high	78.3	Confident	8 Å²	8	79.1 Å²	79.1	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-83	-10.9	-176.4	69	155.5	0	0	0	113.5	Y206 L273 A290 D291 Y376 S378 R385	Y206-I380 HydrophobicContact CD2-CD1 3.98Å; Y206-I380 HydrophobicContact CD2-CG1 3.68Å; Y206-I380 HydrophobicContact CE2-CD1 3.82Å; Y206-I380 HydrophobicContact CE2-CG1 3.82Å; Y206-I380 WeakPolarHBondContact CE2-O 2.97Å; L273-I380 HydrophobicContact CD2-CD1 4.14Å; L273-I380 WeakPolarHBondContact O-CD1 3.45Å; A290-I380 HydrophobicContact CB-CD1 3.61Å; D291-I380 HydrophobicContact CB-CD1 4.36Å; D291-I380 HydrophobicContact CB-CG2 4.48Å; Y376-I380 HydrophobicContact CD1-CD1 4.27Å; Y376-I380 HydrophobicContact CD1-CG1 4.41Å; Y376-I380 HydrophobicContact CD1-CG2 4.32Å; Y376-I380 HydrophobicContact CD2-CG2 4.33Å; Y376-I380 HydrophobicContact CE1-CD1 3.95Å; Y376-I380 HydrophobicContact CE1-CG1 4.35Å; Y376-I380 HydrophobicContact CE1-CG2 3.82Å; Y376-I380 HydrophobicContact CE2-CG2 3.82Å; Y376-I380 WeakPolarHBondContact O-CG1 3.38Å; Y376-I380 PolarHBondContact O-N 3.36Å; S378-I380 PolarHBondContact O-N 2.95Å; I380-R385 PolarHBondContact O-NE 2.87Å; I380-R385 PolarHBondContact O-NH2 3Å
381	G	92.8	Very high	77.5	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-98	-3.5	-175.6	0	0	0	0	0	115.3	N209 G377 S378 Q379	N209-G381 PolarHBondContact ND2-O 3.17Å; G377-G381 WeakPolarHBondContact O-CA 3.45Å; G377-G381 PolarHBondContact O-N 3.49Å; S378-G381 PolarHBondContact O-N 3.46Å; Q379-G381 VanDerWaalsContact C-N 3.31Å; Q379-G381 PolarHBondContact O-N 3.3Å
382	M	83.4	Confident	76.6	Confident	81 Å²	81	77.2 Å²	77.2	40%	0.399	40%	0.396	S	S	.	.	S	Bend	trans	-72.1	143.1	171.2	-69.4	178.3	179.5	0	0	110	S378 D384	S378-M382 WeakPolarHBondContact O-CG 3.21Å; S378-M382 PolarHBondContact O-N 2.77Å; M382-D384 PolarHBondContact O-N 3.39Å
383	A	64	Low	75.4	Confident	69 Å²	69	80.9 Å²	80.9	57%	0.57	41%	0.414	S	S	*	.	S	Bend	trans	-63	-29.1	-172.4	0	0	0	0	0	113.1
384	D	59	Low	74.1	Confident	97 Å²	97	80.5 Å²	80.5	52%	0.519	42%	0.418	S	S	.	.			trans	-125.8	88.5	-178.4	-78.9	-50.7	0	0	0	111.4	M382 K386 L387	M382-D384 PolarHBondContact O-N 3.39Å; D384-K386 PolarHBondContact O-N 3.47Å; D384-L387 HydrophobicContact CB-CB 4.36Å; D384-L387 HydrophobicContact CB-CD1 3.85Å; D384-L387 HydrophobicContact CB-CG 4.35Å; D384-L387 PolarHBondContact O-N 3.48Å
385	R	56.3	Low	72.7	Confident	54 Å²	54	81.4 Å²	81.4	20%	0.204	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-61.1	-30.6	169.5	-68.2	-172.6	-166.9	164.1	15.2	112.1	A290 D291 F293 I380 L387 H388	A290-R385 PolarHBondContact O-NH2 3.06Å; A290-R385 VanDerWaalsContact O-NH2 3.16Å; D291-R385 PolarHBondContact O-NH1 2.81Å; F293-R385 PolarHBondContact O-NH1 3.2Å; F293-R385 PolarHBondContact O-NH2 2.85Å; I380-R385 PolarHBondContact O-NE 2.87Å; I380-R385 PolarHBondContact O-NH2 3Å; R385-L387 PolarHBondContact O-N 3.33Å; R385-H388 PolarHBondContact O-N 3.19Å; R385-H388 VanDerWaalsContact O-N 3.15Å
386	K	52.5	Low	71.1	Confident	180 Å²	180	85.7 Å²	85.7	78%	0.783	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.4	-178.5	-74.5	-171.1	176.8	-177.4	0	114.6	D384	D384-K386 PolarHBondContact O-N 3.47Å
387	L	47.5	Very low	69.2	Low	125 Å²	125	90.4 Å²	90.4	65%	0.654	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-87.2	-8.8	177.3	-83.1	162.9	0	0	0	113.7	D384 R385	D384-L387 HydrophobicContact CB-CB 4.36Å; D384-L387 HydrophobicContact CB-CD1 3.85Å; D384-L387 HydrophobicContact CB-CG 4.35Å; D384-L387 PolarHBondContact O-N 3.48Å; R385-L387 PolarHBondContact O-N 3.33Å
388	H	46.5	Very low	67	Low	133 Å²	133	97.4 Å²	97.4	62%	0.616	50%	0.495	S	S	*	.	S	Bend	trans	-116.4	1.3	-175.2	-69.2	-52.4	0	0	0	114.7	R385	R385-H388 PolarHBondContact O-N 3.19Å; R385-H388 VanDerWaalsContact O-N 3.15Å
389	E	44.5	Very low	64.5	Low	165 Å²	165	102.9 Å²	102.9	77%	0.771	52%	0.518	S	S	*	.			trans	-97.8	3.7	173.3	-71.6	-175.9	165.5	0	0	113.6
390	N	36.2	Very low	61.7	Low	209 Å²	209	102 Å²	102	100%	1.118	52%	0.517	S	S	*	.			trans	-105.7	0	164.6	-68	-22.5	0	0	0	109.7

Retrieved 390 of 390 residues in 208.3 ms (Link to these results)

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