A0A096MYU8_PAPAN Loading...

Alpha-2,8-sialyltransferase 8E

Involved in the synthesis of gangliosides GD1c, GT1a, GQ1b, GP1c and GT3 from GD1a, GT1b, GM1b and GD3 respectively.

AlphaFold DB (A0A2K6PBK4), UniProt , Accession A0A096MYU8, Species PAPAN (Papio anubis, Olive baboon), Gene ST8SIA5, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.2	Very low	42.4	Very low	242 Å²	242	161.9 Å²	161.9	100%	1.192	83%	0.834	S	S	*	*				0	127.9	0	-87.4	166.4	170.9	0	0	108.4
2	R	36.9	Very low	42.7	Very low	239 Å²	239	160.8 Å²	160.8	90%	0.902	83%	0.829	S	S	*	*			trans	-65.7	143.9	175.8	-68	173	174.4	170.9	-3.4	110.2
3	Y	35	Very low	43.2	Very low	233 Å²	233	159.2 Å²	159.2	91%	0.914	82%	0.822	S	S	*	*			trans	-134	118.6	144.6	-96.3	-82.1	0	0	0	108
4	A	38.5	Very low	43.7	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	79%	0.789	S	S	*	*			trans	-87.6	144.3	-179.2	0	0	0	0	0	110.1
5	D	39.7	Very low	44.3	Very low	131 Å²	131	148.7 Å²	148.7	70%	0.701	78%	0.781	S	S	*	*			trans	-66.3	125.1	173.6	-175.6	-15.5	0	0	0	111.1	S7	D5-S7 PolarHBondContact OD1-N 3.16Å; D5-S7 PolarHBondContact OD1-OG 3.5Å; D5-S7 VanDerWaalsContact OD1-OG 3.13Å
6	P	45.7	Very low	45.1	Very low	125 Å²	125	151.9 Å²	151.9	81%	0.812	78%	0.779	S	S	*	*			trans	-97.9	81.2	175	36.5	-26.9	0	0	0	110.5
7	S	41.5	Very low	46.1	Very low	91 Å²	91	147.8 Å²	147.8	64%	0.636	76%	0.763	S	S	*	*			trans	-150.1	24	165.2	60.8	0	0	0	0	114.9	D5 N9	D5-S7 PolarHBondContact OD1-N 3.16Å; D5-S7 PolarHBondContact OD1-OG 3.5Å; D5-S7 VanDerWaalsContact OD1-OG 3.13Å; S7-N9 PolarHBondContact O-N 3.26Å; S7-N9 VanDerWaalsContact O-N 3.16Å
8	A	46.1	Very low	47.1	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	75%	0.75	S	S	*	*			trans	-79.5	85.9	162	0	0	0	0	0	110.5
9	N	48.3	Very low	48	Very low	160 Å²	160	143.4 Å²	143.4	86%	0.856	74%	0.741	S	S	*	*			trans	157.5	96.1	146.2	-90.7	-19.7	0	0	0	110.2	S7	S7-N9 PolarHBondContact O-N 3.26Å; S7-N9 VanDerWaalsContact O-N 3.16Å
10	R	45.5	Very low	49.1	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.898	74%	0.735	S	S	*	*			trans	-132.2	117.6	153.9	-89.3	-172.8	160.8	-179.7	-5.1	109.3	L12	R10-L12 PolarHBondContact O-N 2.97Å; R10-L12 VanDerWaalsContact O-N 3.14Å
11	D	53.2	Low	50.4	Low	137 Å²	137	141.4 Å²	141.4	73%	0.733	73%	0.725	S	S	*	*			trans	-48.3	104.5	-173.4	-75.3	-55.5	0	0	0	114.4	L13	D11-L13 PolarHBondContact O-N 3.31Å
12	L	46.2	Very low	52.1	Low	149 Å²	149	137.3 Å²	137.3	78%	0.78	70%	0.701	S	S	*	*	H	α-helix	trans	-73.8	-12.1	164.1	-105.8	96.4	0	0	0	113	R10	R10-L12 PolarHBondContact O-N 2.97Å; R10-L12 VanDerWaalsContact O-N 3.14Å
13	L	48.8	Very low	54.1	Low	140 Å²	140	130.8 Å²	130.8	73%	0.733	68%	0.683	S	S	*	*	H	α-helix	trans	-87.2	-30.6	-176.6	-80.7	150.2	0	0	0	113.3	D11 T17	D11-L13 PolarHBondContact O-N 3.31Å; L13-T17 PolarHBondContact O-OG1 3.4Å
14	G	49.8	Very low	56.2	Low	35 Å²	35	122.4 Å²	122.4	36%	0.361	66%	0.658	S	S	.	*	H	α-helix	trans	-70.4	-37.2	178.5	0	0	0	0	0	113.7	T17 L18	G14-T17 PolarHBondContact O-N 3.23Å; G14-L18 PolarHBondContact O-N 3.12Å; G14-L18 VanDerWaalsContact O-N 3.1Å
15	N	53.5	Low	58	Low	125 Å²	125	120.5 Å²	120.5	67%	0.668	64%	0.642	S	S	*	*	H	α-helix	trans	-75.8	-31.8	-172.5	-143.8	-1	0	0	0	113	L19	N15-L19 WeakPolarHBondContact O-CB 3.43Å; N15-L19 PolarHBondContact O-N 2.65Å; N15-L19 VanDerWaalsContact O-N 3.14Å
16	R	56	Low	59.8	Low	200 Å²	200	121.5 Å²	121.5	76%	0.755	64%	0.641	S	S	*	*	H	α-helix	trans	-71.4	-35.2	173.6	-75.4	-173.9	159.3	-169.3	-4.7	112.4	F20	R16-F20 WeakPolarHBondContact O-CB 3.45Å; R16-F20 PolarHBondContact O-N 2.85Å
17	T	63.7	Low	61.3	Low	82 Å²	82	118 Å²	118	50%	0.503	62%	0.623	S	S	.	*	H	α-helix	trans	-70.7	-41.6	179.2	-49.3	0	0	0	0	111	L13 G14 F20 I21	L13-T17 PolarHBondContact O-OG1 3.4Å; G14-T17 PolarHBondContact O-N 3.23Å; T17-F20 PolarHBondContact O-N 3.48Å; T17-I21 HydrophobicContact CG2-CD1 4.12Å; T17-I21 WeakPolarHBondContact O-CD1 3.21Å; T17-I21 VanDerWaalsContact O-CG1 3.24Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.13Å
18	L	62.5	Low	63.2	Low	100 Å²	100	118.8 Å²	118.8	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-63.7	-41.6	173.7	-79.7	161.4	0	0	0	112.7	G14 F20 I21 F22	G14-L18 PolarHBondContact O-N 3.12Å; G14-L18 VanDerWaalsContact O-N 3.1Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.14Å; L18-I21 PolarHBondContact O-N 3.5Å; L18-F22 PolarHBondContact O-N 2.86Å
19	L	65.4	Low	64.7	Low	112 Å²	112	118.5 Å²	118.5	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-63.6	-40.6	175.9	-172.9	68	0	0	0	111.6	N15 F22 I23	N15-L19 WeakPolarHBondContact O-CB 3.43Å; N15-L19 PolarHBondContact O-N 2.65Å; N15-L19 VanDerWaalsContact O-N 3.14Å; L19-F22 PolarHBondContact O-N 3.1Å; L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.25Å
20	F	70.3	Confident	65.8	Low	143 Å²	143	113.3 Å²	113.3	63%	0.627	58%	0.581	S	S	*	*	H	α-helix	trans	-66.6	-41.3	177.9	-145.6	-91.2	0	0	0	111.9	R16 T17 L18 F22 I23 C24	R16-F20 WeakPolarHBondContact O-CB 3.45Å; R16-F20 PolarHBondContact O-N 2.85Å; T17-F20 PolarHBondContact O-N 3.48Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.14Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 3.16Å; F20-I23 PolarHBondContact O-N 3.13Å; F20-C24 WeakPolarHBondContact O-CB 3.42Å; F20-C24 PolarHBondContact O-N 3.48Å; F20-C24 PolarHBondContact O-SG 3.17Å
21	I	75.4	Confident	67	Low	102 Å²	102	106.4 Å²	106.4	52%	0.523	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-41.8	174.8	-68.2	164.2	0	0	0	110.7	T17 L18 C24 A25	T17-I21 HydrophobicContact CG2-CD1 4.12Å; T17-I21 WeakPolarHBondContact O-CD1 3.21Å; T17-I21 VanDerWaalsContact O-CG1 3.24Å; T17-I21 WeakPolarHBondContact O-CG1 3.46Å; T17-I21 PolarHBondContact O-N 3.13Å; L18-I21 PolarHBondContact O-N 3.5Å; I21-C24 PolarHBondContact O-N 3.49Å; I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.43Å; I21-A25 PolarHBondContact O-N 3.45Å
22	F	72.9	Confident	67.7	Low	157 Å²	157	104.5 Å²	104.5	69%	0.689	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-42.6	177.1	-103.9	-85.4	0	0	0	112.8	L18 L19 F20 A25 F26	L18-F22 PolarHBondContact O-N 2.86Å; L19-F22 PolarHBondContact O-N 3.1Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 3.16Å; F22-A25 PolarHBondContact O-N 3.01Å; F22-F26 WeakPolarHBondContact O-CB 3.36Å; F22-F26 PolarHBondContact O-N 3.28Å
23	I	77.9	Confident	68.6	Low	102 Å²	102	102.5 Å²	102.5	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-44.1	177.4	-67.5	166.9	0	0	0	110.4	L19 F20 F26 A27	L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.25Å; F20-I23 PolarHBondContact O-N 3.13Å; I23-F26 PolarHBondContact O-N 3.5Å; I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 3.42Å
24	C	78.4	Confident	69.3	Low	57 Å²	57	102.4 Å²	102.4	39%	0.385	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-41.5	177.4	-72.3	0	0	0	0	112.3	F20 I21 A27 L28	F20-C24 WeakPolarHBondContact O-CB 3.42Å; F20-C24 PolarHBondContact O-N 3.48Å; F20-C24 PolarHBondContact O-SG 3.17Å; I21-C24 PolarHBondContact O-N 3.49Å; C24-A27 PolarHBondContact O-N 2.86Å; C24-L28 WeakPolarHBondContact O-CB 3.32Å; C24-L28 PolarHBondContact O-N 3.43Å
25	A	77.7	Confident	70.3	Confident	49 Å²	49	105.5 Å²	105.5	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.4	0	0	0	0	0	111.8	I21 F22 L28 V29	I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.43Å; I21-A25 PolarHBondContact O-N 3.45Å; F22-A25 PolarHBondContact O-N 3.01Å; A25-L28 PolarHBondContact O-N 3.3Å; A25-V29 VanDerWaalsContact O-CG2 3.28Å; A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 2.68Å
26	F	77.9	Confident	70.4	Confident	152 Å²	152	105.1 Å²	105.1	67%	0.667	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-39.9	176.8	-164.9	-94.7	0	0	0	112	F22 I23 V29 T30	F22-F26 WeakPolarHBondContact O-CB 3.36Å; F22-F26 PolarHBondContact O-N 3.28Å; I23-F26 PolarHBondContact O-N 3.5Å; F26-V29 PolarHBondContact O-N 3.02Å; F26-T30 HydrophobicContact CD1-CG2 4.09Å; F26-T30 HydrophobicContact CE1-CG2 3.83Å; F26-T30 HydrophobicContact CZ-CG2 4.3Å; F26-T30 WeakPolarHBondContact O-CB 3.49Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.16Å; F26-T30 PolarHBondContact O-OG1 2.58Å
27	A	75.5	Confident	70.2	Confident	52 Å²	52	103.3 Å²	103.3	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-41	173.6	0	0	0	0	0	111.9	I23 C24 T30 L31	I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 3.42Å; C24-A27 PolarHBondContact O-N 2.86Å; A27-T30 WeakPolarHBondContact CA-OG1 3.42Å; A27-T30 PolarHBondContact O-OG1 3.02Å; A27-L31 VanDerWaalsContact O-CB 3.22Å; A27-L31 WeakPolarHBondContact O-CB 3.16Å; A27-L31 PolarHBondContact O-N 2.95Å
28	L	82.1	Confident	69.2	Low	106 Å²	106	100.7 Å²	100.7	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-44.2	175.9	-100.7	152.6	0	0	0	112.3	C24 A25 L31 L32	C24-L28 WeakPolarHBondContact O-CB 3.32Å; C24-L28 PolarHBondContact O-N 3.43Å; A25-L28 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.37Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 PolarHBondContact O-N 3.34Å
29	V	78.5	Confident	68.2	Low	90 Å²	90	105.4 Å²	105.4	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-43.1	178.4	171.8	0	0	0	0	110.9	A25 F26 L32 Q33	A25-V29 VanDerWaalsContact O-CG2 3.28Å; A25-V29 WeakPolarHBondContact O-CG2 3.41Å; A25-V29 PolarHBondContact O-N 2.68Å; F26-V29 PolarHBondContact O-N 3.02Å; V29-L32 PolarHBondContact O-N 3.2Å; V29-Q33 VanDerWaalsContact O-CB 3.26Å; V29-Q33 WeakPolarHBondContact O-CB 3.44Å; V29-Q33 PolarHBondContact O-N 3.01Å
30	T	69.6	Low	66.9	Low	52 Å²	52	106.1 Å²	106.1	32%	0.319	54%	0.537	S	S	.	.	H	α-helix	trans	-67.2	-36.3	177.4	50.4	0	0	0	0	112.4	F26 A27 Q33 Q34	F26-T30 HydrophobicContact CD1-CG2 4.09Å; F26-T30 HydrophobicContact CE1-CG2 3.83Å; F26-T30 HydrophobicContact CZ-CG2 4.3Å; F26-T30 WeakPolarHBondContact O-CB 3.49Å; F26-T30 WeakPolarHBondContact O-CG2 3.48Å; F26-T30 PolarHBondContact O-N 3.16Å; F26-T30 PolarHBondContact O-OG1 2.58Å; A27-T30 WeakPolarHBondContact CA-OG1 3.42Å; A27-T30 PolarHBondContact O-OG1 3.02Å; T30-Q33 PolarHBondContact O-N 3.38Å; T30-Q34 WeakPolarHBondContact O-CB 3.24Å; T30-Q34 WeakPolarHBondContact O-CG 3.27Å; T30-Q34 PolarHBondContact O-N 3.29Å
31	L	71.4	Confident	65.4	Low	92 Å²	92	108.8 Å²	108.8	48%	0.482	54%	0.544	S	S	.	.	H	α-helix	trans	-67.4	-43.5	173.1	-173.1	69.4	0	0	0	111.7	A27 L28 Q33 Q34 I35	A27-L31 VanDerWaalsContact O-CB 3.22Å; A27-L31 WeakPolarHBondContact O-CB 3.16Å; A27-L31 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.37Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.12Å; L31-Q34 PolarHBondContact O-N 3.23Å; L31-I35 HydrophobicContact CD1-CD1 4.5Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CB 3.16Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.45Å; L31-I35 PolarHBondContact O-N 3.02Å
32	L	68.5	Low	63.6	Low	98 Å²	98	109.9 Å²	109.9	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-63.3	-38.7	175	-120.7	121.3	0	0	0	111.3	L28 V29 I35 L36	L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 PolarHBondContact O-N 3.34Å; V29-L32 PolarHBondContact O-N 3.2Å; L32-I35 PolarHBondContact O-N 2.95Å; L32-L36 HydrophobicContact CD2-CD1 4Å; L32-L36 VanDerWaalsContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CB 3.31Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.15Å
33	Q	65.4	Low	61.6	Low	106 Å²	106	111.8 Å²	111.8	50%	0.495	56%	0.558	S	S	.	*	H	α-helix	trans	-66.4	-41.7	174.9	-154.2	171.1	7.2	0	0	110.5	V29 T30 L31 I35 L36 Y37	V29-Q33 VanDerWaalsContact O-CB 3.26Å; V29-Q33 WeakPolarHBondContact O-CB 3.44Å; V29-Q33 PolarHBondContact O-N 3.01Å; T30-Q33 PolarHBondContact O-N 3.38Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.12Å; Q33-I35 PolarHBondContact O-N 2.92Å; Q33-L36 PolarHBondContact O-N 3.5Å; Q33-Y37 HydrophobicContact CG-CD2 3.65Å; Q33-Y37 HydrophobicContact CG-CE2 3.72Å; Q33-Y37 VanDerWaalsContact O-CB 3.28Å; Q33-Y37 WeakPolarHBondContact O-CB 3.43Å; Q33-Y37 VanDerWaalsContact O-CD2 3.23Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.46Å; Q33-Y37 PolarHBondContact O-N 3.41Å
34	Q	63.8	Low	59.6	Low	139 Å²	139	117.6 Å²	117.6	65%	0.65	57%	0.573	S	S	*	*	H	α-helix	trans	-65.6	-34.2	172.6	-78.7	-176.5	-13.5	0	0	113.4	T30 L31 G38	T30-Q34 WeakPolarHBondContact O-CB 3.24Å; T30-Q34 WeakPolarHBondContact O-CG 3.27Å; T30-Q34 PolarHBondContact O-N 3.29Å; L31-Q34 PolarHBondContact O-N 3.23Å; Q34-G38 WeakPolarHBondContact O-CA 3.31Å; Q34-G38 PolarHBondContact O-N 3.15Å
35	I	69.5	Low	57.3	Low	100 Å²	100	117.7 Å²	117.7	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-73	-43.6	176.8	-69.5	166.6	0	0	0	110.9	L31 L32 Q33 R39	L31-I35 HydrophobicContact CD1-CD1 4.5Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CB 3.16Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.45Å; L31-I35 PolarHBondContact O-N 3.02Å; L32-I35 PolarHBondContact O-N 2.95Å; Q33-I35 PolarHBondContact O-N 2.92Å; I35-R39 PolarHBondContact O-N 3.34Å
36	L	56.8	Low	55	Low	117 Å²	117	122.7 Å²	122.7	61%	0.613	60%	0.603	S	S	*	*	H	α-helix	trans	-68.9	-39.8	178.9	-73	170	0	0	0	112.3	L32 Q33	L32-L36 HydrophobicContact CD2-CD1 4Å; L32-L36 VanDerWaalsContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CB 3.31Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.15Å; Q33-L36 PolarHBondContact O-N 3.5Å
37	Y	50.6	Low	52.8	Low	162 Å²	162	123.8 Å²	123.8	64%	0.635	61%	0.61	S	S	*	*	H	α-helix	trans	-86.6	-27.4	177.9	-75	-87.1	0	0	0	113.4	Q33 N40	Q33-Y37 HydrophobicContact CG-CD2 3.65Å; Q33-Y37 HydrophobicContact CG-CE2 3.72Å; Q33-Y37 VanDerWaalsContact O-CB 3.28Å; Q33-Y37 WeakPolarHBondContact O-CB 3.43Å; Q33-Y37 VanDerWaalsContact O-CD2 3.23Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.46Å; Q33-Y37 PolarHBondContact O-N 3.41Å; Y37-N40 PolarHBondContact O-N 3.22Å
38	G	43.8	Very low	50.7	Low	27 Å²	27	130.5 Å²	130.5	28%	0.278	63%	0.63	S	S	.	*	H	α-helix	trans	-74.2	-26.2	178.5	0	0	0	0	0	113.8	Q34 N40 Y41 I42	Q34-G38 WeakPolarHBondContact O-CA 3.31Å; Q34-G38 PolarHBondContact O-N 3.15Å; G38-N40 PolarHBondContact O-N 2.99Å; G38-Y41 PolarHBondContact O-N 2.88Å; G38-I42 PolarHBondContact O-N 3.02Å
39	R	40	Very low	48	Very low	198 Å²	198	129.1 Å²	129.1	75%	0.747	64%	0.641	S	S	*	*	H	α-helix	trans	-64.3	-20.5	174.9	-124	175.4	166.1	175.8	-4.2	113.8	I35	I35-R39 PolarHBondContact O-N 3.34Å
40	N	38.7	Very low	45.5	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	66%	0.661	S	S	*	*	H	α-helix	trans	-86.8	-11.3	174.3	-76.7	-19	0	0	0	113.9	Y37 G38	Y37-N40 PolarHBondContact O-N 3.22Å; G38-N40 PolarHBondContact O-N 2.99Å
41	Y	38.6	Very low	43.4	Very low	199 Å²	199	143.8 Å²	143.8	78%	0.78	69%	0.689	S	S	*	*	H	α-helix	trans	-91.1	-35.2	176.7	-107.3	-92.4	0	0	0	112.8	G38 K43 R44 G45	G38-Y41 PolarHBondContact O-N 2.88Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 2.83Å; Y41-R44 PolarHBondContact O-N 3.29Å; Y41-G45 PolarHBondContact O-N 3.3Å
42	I	37.2	Very low	41.3	Very low	124 Å²	124	144.3 Å²	144.3	64%	0.636	70%	0.7	S	S	*	*	H	α-helix	trans	-73.1	-24.4	-176.3	-62.6	176.3	0	0	0	112.4	G38 R44	G38-I42 PolarHBondContact O-N 3.02Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.36Å
43	K	32.3	Very low	39.5	Very low	198 Å²	198	142.9 Å²	142.9	86%	0.861	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	173.8	-92.4	-172.6	175.4	-175.4	0	115.2	Y41	Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 2.83Å
44	R	34.3	Very low	37.7	Very low	224 Å²	224	145.3 Å²	145.3	85%	0.845	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-12.2	173.6	-88.5	-175.6	174.1	-171.3	-1.5	114	Y41 I42	Y41-R44 PolarHBondContact O-N 3.29Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.36Å
45	G	30.6	Very low	35.9	Very low	58 Å²	58	147.7 Å²	147.7	60%	0.598	74%	0.737	S	S	*	*	S	Bend	trans	-89.9	-7.2	-176.5	0	0	0	0	0	116.1	Y41	Y41-G45 PolarHBondContact O-N 3.3Å
46	L	29.4	Very low	34.1	Very low	154 Å²	154	151.3 Å²	151.3	81%	0.806	76%	0.756	S	S	*	*	S	Bend	trans	-96.7	14.7	-174.4	-85.6	159.9	0	0	0	114.8
47	Q	32.2	Very low	32.7	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	76%	0.758	S	S	*	*	S	Bend	trans	-121.9	12.6	-179.3	-128.6	176	0.9	0	0	115.5
48	F	30.8	Very low	31.5	Very low	193 Å²	193	149.5 Å²	149.5	85%	0.846	77%	0.766	S	S	*	*			trans	-122	85.6	169.7	-79.7	-81.6	0	0	0	109.6
49	G	25.6	Very low	30.7	Very low	76 Å²	76	160 Å²	160	78%	0.784	80%	0.797	S	S	*	*			trans	-65.8	135.8	163.2	0	0	0	0	0	109.8	Q51	G49-Q51 PolarHBondContact O-N 3.4Å
50	W	25.6	Very low	30.3	Very low	254 Å²	254	157.1 Å²	157.1	96%	0.962	80%	0.801	S	S	*	*			trans	-53.6	129.1	168.7	-87.5	48.9	0	0	0	111.1
51	Q	25.9	Very low	29.7	Very low	197 Å²	197	153.7 Å²	153.7	92%	0.921	80%	0.797	S	S	*	*			trans	-130.5	110.1	153.3	-117.3	172.2	-9.4	0	0	108.5	G49	G49-Q51 PolarHBondContact O-N 3.4Å
52	S	27.9	Very low	29.2	Very low	102 Å²	102	151.7 Å²	151.7	71%	0.713	80%	0.799	S	S	*	*			trans	-62.2	147.9	166.9	51	0	0	0	0	110.3	D54	S52-D54 PolarHBondContact O-N 2.97Å
53	G	29.7	Very low	28.7	Very low	68 Å²	68	155.1 Å²	155.1	70%	0.701	81%	0.809	S	S	*	*			trans	-60.1	133.8	171.9	0	0	0	0	0	112.1
54	D	27.3	Very low	28.3	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	81%	0.807	S	S	*	*			trans	173.2	112	131.1	-89.8	-18.5	0	0	0	107.4	S52	S52-D54 PolarHBondContact O-N 2.97Å
55	Q	26.4	Very low	28	Very low	188 Å²	188	148.5 Å²	148.5	88%	0.879	81%	0.805	S	S	*	*			trans	170.7	111.5	131.6	-92.9	179.4	7.7	0	0	111.3
56	L	31.5	Very low	27.9	Very low	177 Å²	177	152 Å²	152	93%	0.927	82%	0.815	S	S	*	*			trans	-74.1	122.5	157.7	-164.6	86.2	0	0	0	107.8
57	S	27.3	Very low	27.9	Very low	93 Å²	93	152.1 Å²	152.1	65%	0.65	82%	0.816	S	S	*	*			trans	-179.6	126.4	144.5	37.6	0	0	0	0	113.4
58	N	26.6	Very low	27.6	Very low	148 Å²	148	151.4 Å²	151.4	79%	0.791	82%	0.818	S	S	*	*			trans	19.8	113.5	144.4	-68	-8.6	0	0	0	118.8
59	W	26	Very low	27.7	Very low	247 Å²	247	147.8 Å²	147.8	94%	0.936	81%	0.814	S	S	*	*			trans	-141.9	93.2	142	-83.2	94.6	0	0	0	110.6
60	T	32.6	Very low	27.8	Very low	137 Å²	137	149 Å²	149	84%	0.84	82%	0.816	S	S	*	*			trans	-73.4	122.5	148.5	41.4	0	0	0	0	107.8
61	G	26.2	Very low	28.1	Very low	57 Å²	57	143.7 Å²	143.7	59%	0.588	81%	0.812	S	S	*	*			trans	-150.6	105.4	175	0	0	0	0	0	110.5
62	L	28	Very low	28.3	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	81%	0.81	S	S	*	*			trans	-53.9	139.6	167	-80.7	85.8	0	0	0	110.5
63	F	27.1	Very low	28.7	Very low	195 Å²	195	144.5 Å²	144.5	86%	0.855	82%	0.818	S	S	*	*			trans	-131.2	111.3	155.2	-81.2	-79.9	0	0	0	109.8
64	N	23.6	Very low	28.7	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.2	131.1	165.4	-82.2	-12.7	0	0	0	109.2
65	V	28.8	Very low	29.2	Very low	133 Å²	133	142.6 Å²	142.6	81%	0.806	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-102.4	120.7	167.7	177.2	0	0	0	0	107.5
66	T	27.4	Very low	29.5	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.4	133.3	168.7	41.8	0	0	0	0	110
67	D	29.8	Very low	29.8	Very low	157 Å²	157	135.3 Å²	135.3	84%	0.84	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.5	140.3	173	-70.4	-48.8	0	0	0	112.5
68	D	26.2	Very low	30.5	Very low	160 Å²	160	135.8 Å²	135.8	86%	0.856	80%	0.796	S	S	*	*			trans	-158	144.9	135.7	-112.6	-22.1	0	0	0	110.8
69	P	32.8	Very low	31.1	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	79%	0.789	S	S	*	*			trans	-98.1	134.4	-160.9	36	-31	0	0	0	113.1
70	A	27.4	Very low	31.7	Very low	101 Å²	101	132 Å²	132	84%	0.835	78%	0.784	S	S	*	*			trans	-138.1	111.8	162.3	0	0	0	0	0	110.3	Q72	A70-Q72 PolarHBondContact O-N 3.48Å
71	V	31.6	Very low	32.2	Very low	142 Å²	142	133.4 Å²	133.4	86%	0.861	78%	0.775	S	S	*	*			trans	-63.2	120	175.5	172.6	0	0	0	0	109.9
72	Q	29.9	Very low	33.1	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	79%	0.789	S	S	*	*			trans	-143.7	122.6	152.1	-105.2	176.3	12.1	0	0	110.6	A70 G74	A70-Q72 PolarHBondContact O-N 3.48Å; Q72-G74 PolarHBondContact O-N 3.33Å
73	S	36.8	Very low	33.9	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	79%	0.788	S	S	*	*			trans	-60.4	115.4	-179.5	53.1	0	0	0	0	112.3
74	G	29.1	Very low	35.1	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	79%	0.786	S	S	*	*			trans	-143.5	126.9	164.5	0	0	0	0	0	108.1	Q72 D76	Q72-G74 PolarHBondContact O-N 3.33Å; G74-D76 PolarHBondContact O-N 3.02Å
75	S	38.5	Very low	36.7	Very low	123 Å²	123	141.9 Å²	141.9	86%	0.86	78%	0.782	S	S	*	*			trans	-62	93.7	179.8	54.7	0	0	0	0	110.9	S77	S75-S77 PolarHBondContact O-N 3.14Å
76	D	31.8	Very low	38.6	Very low	109 Å²	109	144.4 Å²	144.4	58%	0.583	79%	0.785	S	S	*	*			trans	-85.9	88	176.1	-164.3	2.6	0	0	0	109.8	G74 S78	G74-D76 PolarHBondContact O-N 3.02Å; D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact OD1-N 3.49Å
77	S	38.8	Very low	41.1	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	76%	0.758	S	S	*	*			trans	-86.4	1.3	170.2	69.7	0	0	0	0	112.9	S75	S75-S77 PolarHBondContact O-N 3.14Å
78	S	40.8	Very low	43.9	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	74%	0.736	S	S	*	*	S	Bend	trans	-94.1	-13.2	-174	-172.5	0	0	0	0	114.1	D76	D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact OD1-N 3.49Å
79	S	39.4	Very low	47	Very low	92 Å²	92	131 Å²	131	64%	0.643	71%	0.713	S	S	*	*	S	Bend	trans	-92.8	-11.8	-170.1	-178.9	0	0	0	0	114.9
80	R	38.8	Very low	50	Low	223 Å²	223	130.6 Å²	130.6	84%	0.842	70%	0.7	S	S	*	*	S	Bend	trans	-93.5	7.2	-173.1	-86.7	-168	-72.3	174.8	-3.8	117.2
81	Y	44.4	Very low	53.2	Low	167 Å²	167	126.7 Å²	126.7	66%	0.655	66%	0.664	S	S	*	*	S	Bend	trans	-93.2	-1.1	-166	-107.1	-86.2	0	0	0	116.9
82	F	43.8	Very low	56.1	Low	200 Å²	200	125.9 Å²	125.9	88%	0.877	66%	0.655	S	S	*	*	S	Bend	trans	-116.3	2.5	-169.9	-95.4	-79.7	0	0	0	116.9
83	E	46.1	Very low	59.3	Low	171 Å²	171	118.4 Å²	118.4	80%	0.799	62%	0.624	S	S	*	*	S	Bend	trans	-90.3	-10.8	-172.6	-91.8	-178.9	162.5	0	0	116.9
84	F	51.6	Low	62.2	Low	185 Å²	185	117.3 Å²	117.3	81%	0.811	61%	0.612	S	S	*	*			trans	-146.9	83.8	172.7	-72.6	-84.3	0	0	0	111.9	E86	F84-E86 PolarHBondContact O-N 3.41Å
85	Y	57.1	Low	65.4	Low	183 Å²	183	117.9 Å²	117.9	72%	0.718	59%	0.594	S	S	*	*			trans	-81.5	94.8	167.5	-176.5	-102.9	0	0	0	109.6	G87	Y85-G87 PolarHBondContact O-N 3.1Å
86	E	68.3	Low	68.1	Low	186 Å²	186	112 Å²	112	87%	0.869	55%	0.553	S	S	*	*			trans	-82.1	10.2	177	-64.9	-170.9	160.5	0	0	113.6	F84	F84-E86 PolarHBondContact O-N 3.41Å
87	G	81	Confident	71.2	Confident	23 Å²	23	110.4 Å²	110.4	24%	0.237	54%	0.544	C	S	.	.			trans	97.9	-177.4	-174.8	0	0	0	0	0	113.5	Y85	Y85-G87 PolarHBondContact O-N 3.1Å
88	P	87.6	Confident	74	Confident	58 Å²	58	109.8 Å²	109.8	38%	0.377	53%	0.53	S	S	.	.	S	Bend	trans	-72	138.6	-176.7	28.4	-33.3	0	0	0	111.9	M126 K128	P88-M126 CarbonylContact C-O 3.38Å; P88-M126 WeakPolarHBondContact CA-O 3.4Å; P88-M126 VanDerWaalsContact CB-O 3.29Å; P88-M126 WeakPolarHBondContact CB-O 3.37Å; P88-K128 HydrophobicContact CB-CG 4.05Å; P88-K128 HydrophobicContact CG-CG 4Å
89	F	92.4	Very high	76.8	Confident	85 Å²	85	105 Å²	105	37%	0.373	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-64	144.2	178.3	-63.1	-55.5	0	0	0	111.8	R95 C96 M126 C127 K128	F89-R95 HydrophobicContact CD2-CB 4.49Å; F89-R95 HydrophobicContact CD2-CG 3.95Å; F89-R95 HydrophobicContact CE2-CG 3.7Å; F89-R95 HydrophobicContact CZ-CG 4.1Å; F89-C96 WeakPolarHBondContact CB-SG 3.32Å; F89-M126 HydrophobicContact CD2-CB 4.35Å; F89-M126 HydrophobicContact CD2-CE 4.25Å; F89-M126 HydrophobicContact CE2-CE 3.57Å; F89-M126 PolarHBondContact N-O 3.36Å; F89-C127 WeakPolarHBondContact O-CA 3.42Å; F89-K128 PolarHBondContact O-N 3.12Å
90	E	95.1	Very high	79.5	Confident	109 Å²	109	102.5 Å²	102.5	51%	0.509	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-66.2	144.8	175.1	-69.2	-58.2	149.7	0	0	112	N92 S93 C96 K128	E90-N92 PolarHBondContact O-N 3.04Å; E90-N92 VanDerWaalsContact O-N 3.1Å; E90-S93 VanDerWaalsContact O-CB 3.26Å; E90-S93 WeakPolarHBondContact O-CB 3.4Å; E90-S93 PolarHBondContact O-N 3.23Å; E90-S93 PolarHBondContact O-OG 3.14Å; E90-C96 PolarHBondContact O-SG 2.78Å; E90-K128 WeakPolarHBondContact OE1-CE 3.26Å; E90-K128 IonicContact OE1-NZ 2.72Å; E90-K128 PolarHBondContact OE1-NZ 2.7Å; E90-K128 IonicContact OE2-NZ 3.46Å
91	Y	93.6	Very high	82.3	Confident	20 Å²	20	96.9 Å²	96.9	8%	0.078	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.9	-174.9	178.2	-104.4	0	0	0	114.1	R100 K128 A130 G400	Y91-R100 PolarHBondContact O-NH1 3.25Å; Y91-R100 PolarHBondContact OH-NH1 2.94Å; Y91-K128 WeakPolarHBondContact CA-O 3.34Å; Y91-K128 WeakPolarHBondContact CB-O 3.15Å; Y91-A130 HydrophobicContact CD1-CB 3.75Å; Y91-A130 HydrophobicContact CD2-CB 4.04Å; Y91-A130 VanDerWaalsContact CD2-N 3.3Å; Y91-A130 HydrophobicContact CE1-CB 4.31Å; Y91-A130 VanDerWaalsContact CE2-O 3.22Å; Y91-A130 WeakPolarHBondContact CE2-O 3.05Å; Y91-A130 HydrophobicContact CG-CB 3.58Å; Y91-G400 WeakPolarHBondContact OH-CA 3.45Å
92	N	94.4	Very high	84.9	Confident	125 Å²	125	91.9 Å²	91.9	67%	0.668	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	5.6	-178.7	-68.8	-35.2	0	0	0	113.8	E90	E90-N92 PolarHBondContact O-N 3.04Å; E90-N92 VanDerWaalsContact O-N 3.1Å
93	S	96.3	Very high	87.4	Confident	33 Å²	33	82.3 Å²	82.3	23%	0.231	40%	0.397	C	S	.	.	S	Bend	trans	-65.9	148.3	175.4	66.8	0	0	0	0	111	E90 R95 C96 L97	E90-S93 VanDerWaalsContact O-CB 3.26Å; E90-S93 WeakPolarHBondContact O-CB 3.4Å; E90-S93 PolarHBondContact O-N 3.23Å; E90-S93 PolarHBondContact O-OG 3.14Å; S93-R95 PolarHBondContact O-N 3.31Å; S93-R95 VanDerWaalsContact O-N 3.15Å; S93-C96 PolarHBondContact O-N 3.41Å; S93-C96 WeakPolarHBondContact OG-CB 3.47Å; S93-C96 PolarHBondContact OG-N 3.45Å; S93-C96 PolarHBondContact OG-SG 3.02Å; S93-C96 VanDerWaalsContact OG-SG 3.38Å; S93-L97 WeakPolarHBondContact O-CG 3.5Å; S93-L97 PolarHBondContact O-N 3.23Å
94	T	96.8	Very high	89.8	Confident	103 Å²	103	76 Å²	76	63%	0.632	37%	0.368	S	S	*	.	H	α-helix	trans	-50.3	-42.7	177.2	-49.9	0	0	0	0	111.6	C96 L97 E98	T94-C96 PolarHBondContact O-N 3.17Å; T94-L97 WeakPolarHBondContact O-CB 3.25Å; T94-L97 PolarHBondContact O-N 3.02Å; T94-E98 WeakPolarHBondContact O-CG 3.19Å; T94-E98 PolarHBondContact O-N 2.98Å; T94-E98 VanDerWaalsContact O-N 3.08Å
95	R	96.2	Very high	92	Very high	75 Å²	75	72.3 Å²	72.3	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-42	179.2	-172.1	57.3	178.8	151.3	4.4	113	F89 S93 E98 L99	F89-R95 HydrophobicContact CD2-CB 4.49Å; F89-R95 HydrophobicContact CD2-CG 3.95Å; F89-R95 HydrophobicContact CE2-CG 3.7Å; F89-R95 HydrophobicContact CZ-CG 4.1Å; S93-R95 PolarHBondContact O-N 3.31Å; S93-R95 VanDerWaalsContact O-N 3.15Å; R95-E98 IonicContact NH1-OE2 2.98Å; R95-E98 PolarHBondContact NH1-OE2 3.44Å; R95-E98 PolarHBondContact O-N 3.46Å; R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.32Å; R95-L99 PolarHBondContact O-N 3.16Å
96	C	96.6	Very high	93.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-32.6	176.5	-71.6	0	0	0	0	113.1	F89 E90 S93 T94 E98 R100 C127	F89-C96 WeakPolarHBondContact CB-SG 3.32Å; E90-C96 PolarHBondContact O-SG 2.78Å; S93-C96 PolarHBondContact O-N 3.41Å; S93-C96 WeakPolarHBondContact OG-CB 3.47Å; S93-C96 PolarHBondContact OG-N 3.45Å; S93-C96 PolarHBondContact OG-SG 3.02Å; S93-C96 VanDerWaalsContact OG-SG 3.38Å; T94-C96 PolarHBondContact O-N 3.17Å; C96-E98 VanDerWaalsContact C-N 3.34Å; C96-R100 WeakPolarHBondContact O-CB 3.34Å; C96-R100 WeakPolarHBondContact O-CG 3.48Å; C96-R100 PolarHBondContact O-N 2.97Å; C96-C127 WeakPolarHBondContact CA-SG 3.23Å; C96-C127 HydrophobicContact CB-CB 3.96Å; C96-C127 WeakPolarHBondContact CB-SG 3.01Å; C96-C127 WeakPolarHBondContact SG-CB 2.85Å; C96-C127 CovalentContact SG-SG 2.03Å; C96-C127 PolarHBondContact SG-SG 3.47Å
97	L	97.1	Very high	95	Very high	76 Å²	76	62.6 Å²	62.6	40%	0.398	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-45.6	172.7	-61.3	179.6	0	0	0	110.9	S93 T94 R100 H101	S93-L97 WeakPolarHBondContact O-CG 3.5Å; S93-L97 PolarHBondContact O-N 3.23Å; T94-L97 WeakPolarHBondContact O-CB 3.25Å; T94-L97 PolarHBondContact O-N 3.02Å; L97-R100 VanDerWaalsContact CD2-CZ 3.47Å; L97-R100 PolarHBondContact O-N 3.42Å; L97-H101 WeakPolarHBondContact O-CB 3.31Å; L97-H101 PolarHBondContact O-N 3.2Å
98	E	97.8	Very high	95.5	Very high	90 Å²	90	64.8 Å²	64.8	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-52.1	176.1	-69.3	168.4	-177.2	0	0	112.1	T94 R95 C96 R100 H101 E102	T94-E98 WeakPolarHBondContact O-CG 3.19Å; T94-E98 PolarHBondContact O-N 2.98Å; T94-E98 VanDerWaalsContact O-N 3.08Å; R95-E98 IonicContact NH1-OE2 2.98Å; R95-E98 PolarHBondContact NH1-OE2 3.44Å; R95-E98 PolarHBondContact O-N 3.46Å; C96-E98 VanDerWaalsContact C-N 3.34Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 3.26Å; E98-H101 CarbonylContact O-C 3.58Å; E98-H101 WeakPolarHBondContact O-CA 3.47Å; E98-H101 VanDerWaalsContact O-CB 3.28Å; E98-H101 WeakPolarHBondContact O-CB 3.36Å; E98-H101 PolarHBondContact O-N 3.5Å; E98-E102 PolarHBondContact O-N 3.14Å
99	L	97.8	Very high	95.7	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-35.6	-178.6	-69.4	172.9	0	0	0	112.7	R95 L124	R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.32Å; R95-L99 PolarHBondContact O-N 3.16Å; L99-L124 HydrophobicContact CB-CD1 4.09Å
100	R	97.8	Very high	95.6	Very high	40 Å²	40	65 Å²	65	15%	0.151	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-40.9	171.6	-69.8	172.2	-14.3	178.2	13.3	111	Y91 C96 L97 E98 E102 I103 L104 L124 S398	Y91-R100 PolarHBondContact O-NH1 3.25Å; Y91-R100 PolarHBondContact OH-NH1 2.94Å; C96-R100 WeakPolarHBondContact O-CB 3.34Å; C96-R100 WeakPolarHBondContact O-CG 3.48Å; C96-R100 PolarHBondContact O-N 2.97Å; L97-R100 VanDerWaalsContact CD2-CZ 3.47Å; L97-R100 PolarHBondContact O-N 3.42Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 3.26Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 2.92Å; R100-I103 PolarHBondContact O-N 2.57Å; R100-L104 VanDerWaalsContact O-CG 3.26Å; R100-L104 WeakPolarHBondContact O-CG 3.26Å; R100-L104 PolarHBondContact O-N 3.41Å; R100-L124 HydrophobicContact CB-CD1 4.49Å; R100-L124 HydrophobicContact CG-CD1 3.53Å; R100-L124 HydrophobicContact CG-CD2 4.48Å; R100-S398 VanDerWaalsContact CD-O 3.29Å; R100-S398 WeakPolarHBondContact CD-O 3.4Å
101	H	97.6	Very high	95.4	Very high	105 Å²	105	66.9 Å²	66.9	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-41.6	177.6	-165.2	-100.8	0	0	0	111.4	L97 E98 I103 L104 E105	L97-H101 WeakPolarHBondContact O-CB 3.31Å; L97-H101 PolarHBondContact O-N 3.2Å; E98-H101 CarbonylContact O-C 3.58Å; E98-H101 WeakPolarHBondContact O-CA 3.47Å; E98-H101 VanDerWaalsContact O-CB 3.28Å; E98-H101 WeakPolarHBondContact O-CB 3.36Å; E98-H101 PolarHBondContact O-N 3.5Å; H101-I103 VanDerWaalsContact C-N 3.26Å; H101-I103 PolarHBondContact O-N 2.93Å; H101-L104 CarbonylContact O-C 3.54Å; H101-L104 PolarHBondContact O-N 3.31Å; H101-E105 VanDerWaalsContact CE1-CD 3.49Å; H101-E105 VanDerWaalsContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact CE1-CG 3.46Å; H101-E105 IonicContact CE1-OE1 3.35Å; H101-E105 PolarHBondContact CE1-OE1 3.46Å; H101-E105 WeakPolarHBondContact ND1-CG 3.37Å; H101-E105 IonicContact ND1-OE1 3.55Å; H101-E105 PolarHBondContact ND1-OE1 3.14Å; H101-E105 WeakPolarHBondContact O-CG 3.22Å; H101-E105 PolarHBondContact O-N 3.14Å
102	E	97.2	Very high	95.4	Very high	61 Å²	61	66.8 Å²	66.8	29%	0.285	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-36.8	175.4	-69.6	175.9	-161.8	0	0	112.7	E98 R100 R120	E98-E102 PolarHBondContact O-N 3.14Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 2.92Å; E102-R120 HydrophobicContact CB-CG 4.49Å; E102-R120 PolarHBondContact O-NH1 2.98Å
103	I	97.6	Very high	95.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-71.3	-45.3	173.1	-63.8	-66.8	0	0	0	110.8	R100 H101 E105 V106 L117 R120 L124 L394 S398	R100-I103 PolarHBondContact O-N 2.57Å; H101-I103 VanDerWaalsContact C-N 3.26Å; H101-I103 PolarHBondContact O-N 2.93Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 2.81Å; I103-V106 PolarHBondContact O-N 2.9Å; I103-L117 HydrophobicContact CD1-CD1 4.26Å; I103-R120 HydrophobicContact CD1-CB 3.58Å; I103-L124 HydrophobicContact CG1-CD2 3.96Å; I103-L394 HydrophobicContact CG2-CB 4.31Å; I103-S398 WeakPolarHBondContact CG2-OG 3.38Å
104	L	97	Very high	95.2	Very high	38 Å²	38	71 Å²	71	20%	0.199	35%	0.353	C	S	.	.	H	α-helix	trans	-70.9	-24.2	-174.4	-67	173	0	0	0	114.1	R100 H101 V106 K107 H395 R399	R100-L104 VanDerWaalsContact O-CG 3.26Å; R100-L104 WeakPolarHBondContact O-CG 3.26Å; R100-L104 PolarHBondContact O-N 3.41Å; H101-L104 CarbonylContact O-C 3.54Å; H101-L104 PolarHBondContact O-N 3.31Å; L104-V106 VanDerWaalsContact C-N 3.28Å; L104-K107 WeakPolarHBondContact O-CE 3.33Å; L104-K107 PolarHBondContact O-NZ 3.26Å; L104-H395 HydrophobicContact CD2-CB 4.23Å; L104-R399 HydrophobicContact CD1-CG 4.32Å; L104-R399 HydrophobicContact CD2-CG 3.98Å
105	E	96.3	Very high	95	Very high	108 Å²	108	69.5 Å²	69.5	51%	0.505	35%	0.347	S	S	.	.	H	α-helix	trans	-66.6	-30.3	175.2	-81.4	-176	166.6	0	0	112.4	H101 I103 K107	H101-E105 VanDerWaalsContact CE1-CD 3.49Å; H101-E105 VanDerWaalsContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact CE1-CG 3.46Å; H101-E105 IonicContact CE1-OE1 3.35Å; H101-E105 PolarHBondContact CE1-OE1 3.46Å; H101-E105 WeakPolarHBondContact ND1-CG 3.37Å; H101-E105 IonicContact ND1-OE1 3.55Å; H101-E105 PolarHBondContact ND1-OE1 3.14Å; H101-E105 WeakPolarHBondContact O-CG 3.22Å; H101-E105 PolarHBondContact O-N 3.14Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 2.81Å; E105-K107 PolarHBondContact O-N 2.98Å
106	V	95.1	Very high	94.9	Very high	12 Å²	12	69.7 Å²	69.7	7%	0.073	35%	0.351	C	S	.	.			trans	-73.5	98.6	177.4	-171.6	0	0	0	0	108.6	I103 L104 V112 R120 F391 H395	I103-V106 PolarHBondContact O-N 2.9Å; L104-V106 VanDerWaalsContact C-N 3.28Å; V106-V112 HydrophobicContact CG1-CB 3.78Å; V106-V112 HydrophobicContact CG1-CG1 3.62Å; V106-V112 HydrophobicContact CG2-CB 4.44Å; V106-V112 HydrophobicContact CG2-CG2 4.45Å; V106-R120 VanDerWaalsContact CG2-NH1 3.32Å; V106-F391 HydrophobicContact CB-CE2 4.25Å; V106-F391 HydrophobicContact CB-CZ 4.26Å; V106-F391 HydrophobicContact CG1-CE2 3.82Å; V106-F391 HydrophobicContact CG1-CZ 3.81Å; V106-F391 WeakPolarHBondContact O-CZ 3.35Å; V106-H395 PolarHBondContact O-CE1 3.25Å; V106-H395 PolarHBondContact O-NE2 2.94Å
107	K	93.1	Very high	94.9	Very high	152 Å²	152	69.7 Å²	69.7	66%	0.661	35%	0.351	S	S	*	.			trans	-81.7	-26	-178.2	-56.9	-51.7	-178	-172.5	0	114.1	L104 E105	L104-K107 WeakPolarHBondContact O-CE 3.33Å; L104-K107 PolarHBondContact O-NZ 3.26Å; E105-K107 PolarHBondContact O-N 2.98Å
108	V	91.8	Very high	94.8	Very high	69 Å²	69	66.5 Å²	66.5	42%	0.418	33%	0.334	S	S	.	.	S	Bend	trans	-134.2	126.4	-175.3	-173.5	0	0	0	0	109.2	S110 M111	V108-S110 WeakPolarHBondContact CG1-OG 3.33Å; V108-S110 PolarHBondContact O-N 3.32Å; V108-S110 VanDerWaalsContact O-N 3.15Å; V108-M111 HydrophobicContact CB-CG 3.97Å; V108-M111 HydrophobicContact CB-SD 3.85Å; V108-M111 HydrophobicContact CG2-SD 4.02Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.47Å
109	L	91.4	Very high	94.7	Very high	39 Å²	39	66 Å²	66	20%	0.204	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.1	-176.9	179.9	62.1	0	0	0	113.4	M111 V112 L117 F360 P387 F391	L109-M111 PolarHBondContact O-N 2.99Å; L109-V112 HydrophobicContact CD1-CG1 4.45Å; L109-V112 WeakPolarHBondContact O-CG1 3.26Å; L109-V112 PolarHBondContact O-N 2.82Å; L109-L117 HydrophobicContact CD1-CD2 3.73Å; L109-F360 HydrophobicContact CD1-CZ 4.48Å; L109-P387 HydrophobicContact CD2-CB 3.82Å; L109-F391 HydrophobicContact CB-CD1 4.19Å; L109-F391 HydrophobicContact CB-CD2 4.24Å; L109-F391 HydrophobicContact CB-CE1 4.36Å; L109-F391 HydrophobicContact CB-CE2 4.4Å; L109-F391 HydrophobicContact CB-CG 4.07Å; L109-F391 HydrophobicContact CB-CZ 4.41Å; L109-F391 HydrophobicContact CD1-CB 4.3Å; L109-F391 HydrophobicContact CD1-CD2 3.74Å; L109-F391 HydrophobicContact CD1-CE2 4.24Å; L109-F391 HydrophobicContact CD1-CG 4.14Å; L109-F391 HydrophobicContact CD2-CB 4.37Å
110	S	91.7	Very high	94.6	Very high	108 Å²	108	68.3 Å²	68.3	76%	0.755	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.5	178.8	60.7	0	0	0	0	114.3	V108 V112	V108-S110 WeakPolarHBondContact CG1-OG 3.33Å; V108-S110 PolarHBondContact O-N 3.32Å; V108-S110 VanDerWaalsContact O-N 3.15Å; S110-V112 VanDerWaalsContact C-N 3.35Å
111	M	91.1	Very high	94.6	Very high	150 Å²	150	66.4 Å²	66.4	74%	0.739	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-86.9	-4.9	178.6	-65.4	177.5	66.3	0	0	113.2	V108 L109	V108-M111 HydrophobicContact CB-CG 3.97Å; V108-M111 HydrophobicContact CB-SD 3.85Å; V108-M111 HydrophobicContact CG2-SD 4.02Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.47Å; L109-M111 PolarHBondContact O-N 2.99Å
112	V	93.4	Very high	94.5	Very high	17 Å²	17	65.7 Å²	65.7	10%	0.103	33%	0.331	C	S	.	.	S	Bend	trans	-125.2	141.7	179.8	69.5	0	0	0	0	110.2	V106 L109 S110 E116 L117	V106-V112 HydrophobicContact CG1-CB 3.78Å; V106-V112 HydrophobicContact CG1-CG1 3.62Å; V106-V112 HydrophobicContact CG2-CB 4.44Å; V106-V112 HydrophobicContact CG2-CG2 4.45Å; L109-V112 HydrophobicContact CD1-CG1 4.45Å; L109-V112 WeakPolarHBondContact O-CG1 3.26Å; L109-V112 PolarHBondContact O-N 2.82Å; S110-V112 VanDerWaalsContact C-N 3.35Å; V112-E116 HydrophobicContact CG2-CB 3.98Å; V112-E116 HydrophobicContact CG2-CG 3.99Å; V112-L117 HydrophobicContact CG1-CB 4.1Å; V112-L117 HydrophobicContact CG1-CD2 4.49Å; V112-L117 HydrophobicContact CG2-CB 4.27Å
113	K	93.9	Very high	94.4	Very high	154 Å²	154	64.8 Å²	64.8	67%	0.67	33%	0.332	S	S	*	.			trans	-69.8	144.2	170	-68.8	179.9	-178.2	174.4	0	109.1	S115 E116 L117	K113-S115 VanDerWaalsContact C-N 3.27Å; K113-S115 PolarHBondContact O-N 3.46Å; K113-E116 HydrophobicContact CB-CB 4.25Å; K113-E116 PolarHBondContact O-N 3.38Å; K113-E116 VanDerWaalsContact O-N 3.15Å; K113-L117 PolarHBondContact O-N 3.44Å
114	Q	91.9	Very high	94.3	Very high	93 Å²	93	65 Å²	65	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-57.8	-40.6	178.8	-73.3	-176.5	-16.2	0	0	112.5	E116 L117 F118	Q114-E116 PolarHBondContact O-N 2.91Å; Q114-L117 PolarHBondContact O-N 2.97Å; Q114-F118 HydrophobicContact CB-CE2 4.43Å; Q114-F118 HydrophobicContact CB-CZ 4.11Å; Q114-F118 VanDerWaalsContact O-CD1 3.22Å; Q114-F118 WeakPolarHBondContact O-CD1 3.1Å; Q114-F118 WeakPolarHBondContact O-CG 3.21Å; Q114-F118 PolarHBondContact O-N 2.89Å
115	S	92.6	Very high	94.1	Very high	72 Å²	72	66.8 Å²	66.8	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-45.9	176.6	54.9	0	0	0	0	112.1	K113 L117 F118 D119	K113-S115 VanDerWaalsContact C-N 3.27Å; K113-S115 PolarHBondContact O-N 3.46Å; S115-L117 PolarHBondContact O-N 2.91Å; S115-F118 WeakPolarHBondContact O-CB 3.38Å; S115-F118 PolarHBondContact O-N 2.87Å; S115-F118 VanDerWaalsContact O-N 3.15Å; S115-D119 PolarHBondContact O-N 3.36Å
116	E	95.1	Very high	93.9	Very high	78 Å²	78	65 Å²	65	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-41	178.9	-175.6	-174.5	168.4	0	0	111.7	V112 K113 Q114 F118 D119 R120	V112-E116 HydrophobicContact CG2-CB 3.98Å; V112-E116 HydrophobicContact CG2-CG 3.99Å; K113-E116 HydrophobicContact CB-CB 4.25Å; K113-E116 PolarHBondContact O-N 3.38Å; K113-E116 VanDerWaalsContact O-N 3.15Å; Q114-E116 PolarHBondContact O-N 2.91Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.47Å; E116-D119 PolarHBondContact O-N 2.95Å; E116-R120 WeakPolarHBondContact O-CG 3.36Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE1-CZ 2.88Å; E116-R120 IonicContact OE1-NE 3.66Å; E116-R120 PolarHBondContact OE1-NE 3.37Å; E116-R120 IonicContact OE1-NH2 3.7Å; E116-R120 PolarHBondContact OE1-NH2 3.39Å
117	L	95.6	Very high	93.9	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-39.4	173.6	-179.7	63.2	0	0	0	111.6	I103 L109 V112 K113 Q114 S115 W121 F360 F391 L394	I103-L117 HydrophobicContact CD1-CD1 4.26Å; L109-L117 HydrophobicContact CD1-CD2 3.73Å; V112-L117 HydrophobicContact CG1-CB 4.1Å; V112-L117 HydrophobicContact CG1-CD2 4.49Å; V112-L117 HydrophobicContact CG2-CB 4.27Å; K113-L117 PolarHBondContact O-N 3.44Å; Q114-L117 PolarHBondContact O-N 2.97Å; S115-L117 PolarHBondContact O-N 2.91Å; L117-W121 VanDerWaalsContact O-CB 3.3Å; L117-W121 WeakPolarHBondContact O-CB 3.36Å; L117-W121 PolarHBondContact O-N 3.12Å; L117-F360 HydrophobicContact CD2-CZ 4.05Å; L117-F391 HydrophobicContact CD2-CD2 4.23Å; L117-L394 HydrophobicContact CD1-CD1 4.35Å; L117-L394 HydrophobicContact CD2-CD1 4.43Å; L117-L394 HydrophobicContact CG-CD1 4.48Å
118	F	95.4	Very high	94	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-68.1	-38.2	177.9	-62.1	-9.8	0	0	0	111.8	Q114 S115 E116 W121 K122 W358 F360 M362	Q114-F118 HydrophobicContact CB-CE2 4.43Å; Q114-F118 HydrophobicContact CB-CZ 4.11Å; Q114-F118 VanDerWaalsContact O-CD1 3.22Å; Q114-F118 WeakPolarHBondContact O-CD1 3.1Å; Q114-F118 WeakPolarHBondContact O-CG 3.21Å; Q114-F118 PolarHBondContact O-N 2.89Å; S115-F118 WeakPolarHBondContact O-CB 3.38Å; S115-F118 PolarHBondContact O-N 2.87Å; S115-F118 VanDerWaalsContact O-N 3.15Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.47Å; F118-W121 PolarHBondContact O-N 3.34Å; F118-K122 WeakPolarHBondContact O-CB 3.47Å; F118-K122 PolarHBondContact O-N 2.88Å; F118-W358 AromaticContact CD1-CH2 3.73Å; F118-W358 HydrophobicContact CD1-CH2 3.73Å; F118-W358 AromaticContact CD1-CZ2 3.72Å; F118-W358 HydrophobicContact CD1-CZ2 3.72Å; F118-W358 AromaticContact CE1-CH2 3.8Å; F118-W358 HydrophobicContact CE1-CH2 3.8Å; F118-W358 AromaticContact CE1-CZ2 3.51Å; F118-W358 HydrophobicContact CE1-CZ2 3.51Å; F118-W358 HydrophobicContact CG-CZ2 4.4Å; F118-W358 HydrophobicContact CZ-CZ2 4.02Å; F118-F360 HydrophobicContact CE1-CB 4.06Å; F118-F360 HydrophobicContact CE1-CD1 4.07Å; F118-F360 AromaticContact CE1-CD2 3.67Å; F118-F360 HydrophobicContact CE1-CD2 3.67Å; F118-F360 HydrophobicContact CE1-CE1 4.44Å; F118-F360 HydrophobicContact CE1-CE2 4.07Å; F118-F360 AromaticContact CE1-CG 3.66Å; F118-F360 HydrophobicContact CE1-CG 3.66Å; F118-F360 HydrophobicContact CE1-CZ 4.45Å; F118-F360 HydrophobicContact CZ-CB 3.61Å; F118-F360 HydrophobicContact CZ-CD1 4.06Å; F118-F360 HydrophobicContact CZ-CD2 4.14Å; F118-F360 AromaticContact CZ-CG 3.68Å; F118-F360 HydrophobicContact CZ-CG 3.68Å; F118-M362 HydrophobicContact CE2-CB 4.11Å
119	D	95.3	Very high	94.3	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-47	176.1	-68.7	-32.6	0	0	0	111.4	S115 E116 W121 K122 S123	S115-D119 PolarHBondContact O-N 3.36Å; E116-D119 PolarHBondContact O-N 2.95Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.42Å; D119-K122 PolarHBondContact O-N 2.84Å; D119-K122 IonicContact OD1-NZ 3.53Å; D119-K122 PolarHBondContact OD1-NZ 2.87Å; D119-S123 PolarHBondContact O-N 3.32Å; D119-S123 PolarHBondContact O-OG 2.87Å; D119-S123 VanDerWaalsContact O-OG 3.09Å
120	R	96.7	Very high	94.5	Very high	50 Å²	50	60.8 Å²	60.8	19%	0.189	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-44.5	172.8	-66.9	177.5	-170.1	-143.1	-0.4	111.3	E102 I103 V106 E116 S123 L124	E102-R120 HydrophobicContact CB-CG 4.49Å; E102-R120 PolarHBondContact O-NH1 2.98Å; I103-R120 HydrophobicContact CD1-CB 3.58Å; V106-R120 VanDerWaalsContact CG2-NH1 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.36Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE1-CZ 2.88Å; E116-R120 IonicContact OE1-NE 3.66Å; E116-R120 PolarHBondContact OE1-NE 3.37Å; E116-R120 IonicContact OE1-NH2 3.7Å; E116-R120 PolarHBondContact OE1-NH2 3.39Å; R120-S123 PolarHBondContact O-N 2.92Å; R120-L124 PolarHBondContact O-N 2.93Å
121	W	96.8	Very high	94.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-44.5	179.5	179.9	-107.9	0	0	0	112.3	L117 F118 D119 L124 Q125 L394 H397 V404 T406	L117-W121 VanDerWaalsContact O-CB 3.3Å; L117-W121 WeakPolarHBondContact O-CB 3.36Å; L117-W121 PolarHBondContact O-N 3.12Å; F118-W121 PolarHBondContact O-N 3.34Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.42Å; W121-L124 HydrophobicContact CE3-CD2 4.2Å; W121-L124 HydrophobicContact CZ3-CD2 4.06Å; W121-L124 WeakPolarHBondContact O-CB 3.38Å; W121-L124 PolarHBondContact O-N 2.91Å; W121-Q125 VanDerWaalsContact CE2-NE2 3.33Å; W121-Q125 VanDerWaalsContact CZ2-NE2 3.26Å; W121-Q125 WeakPolarHBondContact O-CG 3.41Å; W121-Q125 PolarHBondContact O-N 2.81Å; W121-L394 HydrophobicContact CD2-CD1 4.47Å; W121-L394 HydrophobicContact CD2-CD2 3.98Å; W121-L394 HydrophobicContact CE3-CB 4.25Å; W121-L394 HydrophobicContact CE3-CD1 4.25Å; W121-L394 HydrophobicContact CE3-CD2 3.77Å; W121-L394 HydrophobicContact CE3-CG 4.28Å; W121-L394 HydrophobicContact CH2-CD2 3.67Å; W121-L394 HydrophobicContact CZ2-CD2 3.89Å; W121-L394 HydrophobicContact CZ3-CB 4.08Å; W121-L394 HydrophobicContact CZ3-CD2 3.61Å; W121-L394 HydrophobicContact CZ3-CG 4.31Å; W121-H397 HydrophobicContact CH2-CB 4.07Å; W121-H397 AromaticContact CH2-CD2 3.67Å; W121-H397 AromaticContact CH2-CE1 3.79Å; W121-H397 AromaticContact CH2-CG 3.56Å; W121-H397 AromaticContact CH2-ND1 3.64Å; W121-H397 AromaticContact CH2-NE2 3.83Å; W121-H397 HydrophobicContact CZ3-CB 4.22Å; W121-H397 AromaticContact CZ3-CD2 3.74Å; W121-H397 AromaticContact CZ3-CG 3.91Å; W121-V404 HydrophobicContact CH2-CB 4.11Å; W121-V404 HydrophobicContact CZ2-CB 4.26Å; W121-V404 HydrophobicContact CZ2-CG1 4.32Å; W121-T406 HydrophobicContact CZ2-CG2 3.97Å; W121-T406 PolarHBondContact NE1-OG1 2.98Å
122	K	94.7	Very high	95.1	Very high	91 Å²	91	53.2 Å²	53.2	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.9	-169.1	-163.8	-40.5	159.8	0	111.3	F118 D119 L124 Q125 P364	F118-K122 WeakPolarHBondContact O-CB 3.47Å; F118-K122 PolarHBondContact O-N 2.88Å; D119-K122 PolarHBondContact O-N 2.84Å; D119-K122 IonicContact OD1-NZ 3.53Å; D119-K122 PolarHBondContact OD1-NZ 2.87Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.14Å; K122-Q125 WeakPolarHBondContact O-CB 3.46Å; K122-Q125 PolarHBondContact O-N 2.93Å; K122-Q125 VanDerWaalsContact O-N 3.15Å; K122-P364 VanDerWaalsContact CE-O 3.26Å; K122-P364 WeakPolarHBondContact CE-O 3.38Å
123	S	95.3	Very high	95.3	Very high	41 Å²	41	57.7 Å²	57.7	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-43.1	173.8	-61.4	0	0	0	0	111.5	D119 R120 Q125 M126	D119-S123 PolarHBondContact O-N 3.32Å; D119-S123 PolarHBondContact O-OG 2.87Å; D119-S123 VanDerWaalsContact O-OG 3.09Å; R120-S123 PolarHBondContact O-N 2.92Å; S123-Q125 VanDerWaalsContact C-N 3.25Å; S123-Q125 PolarHBondContact O-N 2.88Å; S123-M126 WeakPolarHBondContact O-CB 3.49Å; S123-M126 WeakPolarHBondContact O-CG 3.28Å; S123-M126 PolarHBondContact O-N 2.84Å; S123-M126 VanDerWaalsContact O-N 3.11Å
124	L	96.3	Very high	95.5	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-28.9	176.1	-179.2	59.9	0	0	0	113	L99 R100 I103 R120 W121 K122 M126 C127 S398	L99-L124 HydrophobicContact CB-CD1 4.09Å; R100-L124 HydrophobicContact CB-CD1 4.49Å; R100-L124 HydrophobicContact CG-CD1 3.53Å; R100-L124 HydrophobicContact CG-CD2 4.48Å; I103-L124 HydrophobicContact CG1-CD2 3.96Å; R120-L124 PolarHBondContact O-N 2.93Å; W121-L124 HydrophobicContact CE3-CD2 4.2Å; W121-L124 HydrophobicContact CZ3-CD2 4.06Å; W121-L124 WeakPolarHBondContact O-CB 3.38Å; W121-L124 PolarHBondContact O-N 2.91Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.14Å; L124-M126 PolarHBondContact O-N 3.24Å; L124-M126 VanDerWaalsContact O-N 3.14Å; L124-C127 HydrophobicContact CD1-CB 4.31Å; L124-C127 VanDerWaalsContact O-CB 3.29Å; L124-C127 WeakPolarHBondContact O-CB 3.29Å; L124-C127 PolarHBondContact O-N 2.96Å; L124-S398 WeakPolarHBondContact CD2-OG 3.42Å
125	Q	93.2	Very high	95.8	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.4	176.1	-62.2	-48.7	-82.2	0	0	113.7	W121 K122 S123 C127	W121-Q125 VanDerWaalsContact CE2-NE2 3.33Å; W121-Q125 VanDerWaalsContact CZ2-NE2 3.26Å; W121-Q125 WeakPolarHBondContact O-CG 3.41Å; W121-Q125 PolarHBondContact O-N 2.81Å; K122-Q125 WeakPolarHBondContact O-CB 3.46Å; K122-Q125 PolarHBondContact O-N 2.93Å; K122-Q125 VanDerWaalsContact O-N 3.15Å; S123-Q125 VanDerWaalsContact C-N 3.25Å; S123-Q125 PolarHBondContact O-N 2.88Å; Q125-C127 PolarHBondContact O-N 3.46Å
126	M	92.3	Very high	96	Very high	69 Å²	69	49.4 Å²	49.4	34%	0.34	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10	171.1	-52.4	-171.4	-30.5	0	0	112.5	P88 F89 S123 L124	P88-M126 CarbonylContact C-O 3.38Å; P88-M126 WeakPolarHBondContact CA-O 3.4Å; P88-M126 VanDerWaalsContact CB-O 3.29Å; P88-M126 WeakPolarHBondContact CB-O 3.37Å; F89-M126 HydrophobicContact CD2-CB 4.35Å; F89-M126 HydrophobicContact CD2-CE 4.25Å; F89-M126 HydrophobicContact CE2-CE 3.57Å; F89-M126 PolarHBondContact N-O 3.36Å; S123-M126 WeakPolarHBondContact O-CB 3.49Å; S123-M126 WeakPolarHBondContact O-CG 3.28Å; S123-M126 PolarHBondContact O-N 2.84Å; S123-M126 VanDerWaalsContact O-N 3.11Å; L124-M126 PolarHBondContact O-N 3.24Å; L124-M126 VanDerWaalsContact O-N 3.14Å
127	C	94.9	Very high	96.1	Very high	16 Å²	16	49.5 Å²	49.5	11%	0.108	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-90.5	138.8	175.1	-68	0	0	0	0	111.5	F89 C96 L124 Q125 W129	F89-C127 WeakPolarHBondContact O-CA 3.42Å; C96-C127 WeakPolarHBondContact CA-SG 3.23Å; C96-C127 HydrophobicContact CB-CB 3.96Å; C96-C127 WeakPolarHBondContact CB-SG 3.01Å; C96-C127 WeakPolarHBondContact SG-CB 2.85Å; C96-C127 CovalentContact SG-SG 2.03Å; C96-C127 PolarHBondContact SG-SG 3.47Å; L124-C127 HydrophobicContact CD1-CB 4.31Å; L124-C127 VanDerWaalsContact O-CB 3.29Å; L124-C127 WeakPolarHBondContact O-CB 3.29Å; L124-C127 PolarHBondContact O-N 2.96Å; Q125-C127 PolarHBondContact O-N 3.46Å; C127-W129 PolarHBondContact O-N 2.93Å
128	K	95.2	Very high	96.2	Very high	94 Å²	94	54.9 Å²	54.9	41%	0.409	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-60.2	131	161	-66.2	-177.1	-174.1	171.5	0	108.5	P88 F89 E90 Y91	P88-K128 HydrophobicContact CB-CG 4.05Å; P88-K128 HydrophobicContact CG-CG 4Å; F89-K128 PolarHBondContact O-N 3.12Å; E90-K128 WeakPolarHBondContact OE1-CE 3.26Å; E90-K128 IonicContact OE1-NZ 2.72Å; E90-K128 PolarHBondContact OE1-NZ 2.7Å; E90-K128 IonicContact OE2-NZ 3.46Å; Y91-K128 WeakPolarHBondContact CA-O 3.34Å; Y91-K128 WeakPolarHBondContact CB-O 3.15Å
129	W	96.6	Very high	96.3	Very high	36 Å²	36	55.1 Å²	55.1	14%	0.136	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-83.2	134.3	171.1	-177.1	89.5	0	0	0	109.6	C127 M131 E351 H397 L402 R403	C127-W129 PolarHBondContact O-N 2.93Å; W129-M131 HydrophobicContact CH2-CB 3.69Å; W129-M131 HydrophobicContact CH2-CG 4.25Å; W129-M131 HydrophobicContact CZ2-CB 4.35Å; W129-M131 HydrophobicContact CZ3-CB 4.13Å; W129-E351 HydrophobicContact CH2-CG 4.25Å; W129-E351 HydrophobicContact CZ3-CG 4.47Å; W129-E351 WeakPolarHBondContact CZ3-OE1 3.32Å; W129-H397 AromaticContact CD1-CD2 3.82Å; W129-H397 AromaticContact CD1-CE1 3.39Å; W129-H397 AromaticContact CD1-ND1 3.75Å; W129-H397 AromaticContact CD1-NE2 3.42Å; W129-H397 AromaticContact NE1-ND1 3.94Å; W129-H397 PolarHBondContact NE1-O 3.36Å; W129-L402 WeakPolarHBondContact CZ2-O 3.43Å; W129-L402 PolarHBondContact NE1-O 3.11Å; W129-R403 HydrophobicContact CB-CG 4.45Å; W129-R403 HydrophobicContact CD2-CB 3.81Å; W129-R403 HydrophobicContact CD2-CG 3.74Å; W129-R403 HydrophobicContact CE3-CB 3.99Å; W129-R403 HydrophobicContact CE3-CG 4.02Å; W129-R403 HydrophobicContact CG-CB 4.44Å; W129-R403 HydrophobicContact CG-CG 3.93Å; W129-R403 HydrophobicContact CH2-CB 3.96Å; W129-R403 HydrophobicContact CZ2-CB 3.82Å; W129-R403 HydrophobicContact CZ3-CB 4.04Å
130	A	97.1	Very high	96.4	Very high	38 Å²	38	52.1 Å²	52.1	31%	0.314	27%	0.268	S	S	.	.			trans	-133.1	151.2	167.3	0	0	0	0	0	109.8	Y91	Y91-A130 HydrophobicContact CD1-CB 3.75Å; Y91-A130 HydrophobicContact CD2-CB 4.04Å; Y91-A130 VanDerWaalsContact CD2-N 3.3Å; Y91-A130 HydrophobicContact CE1-CB 4.31Å; Y91-A130 VanDerWaalsContact CE2-O 3.22Å; Y91-A130 WeakPolarHBondContact CE2-O 3.05Å; Y91-A130 HydrophobicContact CG-CB 3.58Å
131	M	97.6	Very high	96.4	Very high	46 Å²	46	52.7 Å²	52.7	23%	0.227	28%	0.28	C	S	.	.			trans	-75.1	131.1	177.1	-171.1	179.1	170.6	0	0	110.2	W129 I133 A136 E350 E351 G400	W129-M131 HydrophobicContact CH2-CB 3.69Å; W129-M131 HydrophobicContact CH2-CG 4.25Å; W129-M131 HydrophobicContact CZ2-CB 4.35Å; W129-M131 HydrophobicContact CZ3-CB 4.13Å; M131-I133 PolarHBondContact O-N 2.94Å; M131-A136 HydrophobicContact CE-CB 3.26Å; M131-A136 HydrophobicContact CG-CB 4.42Å; M131-E350 WeakPolarHBondContact CE-O 3.34Å; M131-E351 HydrophobicContact SD-CB 4.03Å; M131-E351 HydrophobicContact SD-CG 4.13Å; M131-G400 WeakPolarHBondContact CA-O 3.34Å; M131-G400 WeakPolarHBondContact CG-O 3.46Å
132	N	98	Very high	96.4	Very high	53 Å²	53	54.6 Å²	54.6	28%	0.283	29%	0.291	S	S	.	.			trans	-89.9	96.8	165.5	-175	-29.4	0	0	0	108.1	S134 E135 A136 R399 G400	N132-S134 PolarHBondContact O-N 2.9Å; N132-S134 PolarHBondContact OD1-N 3.27Å; N132-E135 HydrophobicContact CB-CB 4.01Å; N132-E135 HydrophobicContact CB-CG 4.18Å; N132-E135 VanDerWaalsContact CG-CG 3.47Å; N132-E135 VanDerWaalsContact ND2-CG 3.34Å; N132-E135 WeakPolarHBondContact ND2-CG 3.29Å; N132-E135 PolarHBondContact O-N 3.27Å; N132-E135 PolarHBondContact OD1-N 3.26Å; N132-A136 WeakPolarHBondContact O-CB 3.27Å; N132-A136 PolarHBondContact O-N 2.93Å; N132-R399 VanDerWaalsContact CB-O 3.27Å; N132-R399 WeakPolarHBondContact CB-O 3.22Å; N132-G400 PolarHBondContact N-O 3.02Å
133	I	97.1	Very high	96.5	Very high	112 Å²	112	50.2 Å²	50.2	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-56.6	-39.7	-174	-61.4	171.9	0	0	0	111.5	M131 N137	M131-I133 PolarHBondContact O-N 2.94Å; I133-N137 WeakPolarHBondContact CG2-ND2 3.46Å; I133-N137 VanDerWaalsContact O-CB 3.27Å; I133-N137 WeakPolarHBondContact O-CB 3.43Å; I133-N137 VanDerWaalsContact O-CG 3.23Å; I133-N137 PolarHBondContact O-N 3.16Å; I133-N137 PolarHBondContact O-ND2 3.04Å
134	S	97.9	Very high	96.4	Very high	84 Å²	84	49.1 Å²	49.1	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-65.4	-51.9	-179.8	-175.8	0	0	0	0	111.5	N132 A136 N137 Q138	N132-S134 PolarHBondContact O-N 2.9Å; N132-S134 PolarHBondContact OD1-N 3.27Å; S134-A136 VanDerWaalsContact C-N 3.34Å; S134-A136 PolarHBondContact O-N 3.36Å; S134-N137 PolarHBondContact O-N 3.42Å; S134-Q138 WeakPolarHBondContact O-CB 3.36Å; S134-Q138 PolarHBondContact O-N 3.37Å
135	E	97.9	Very high	96.4	Very high	52 Å²	52	57.5 Å²	57.5	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-43.8	178.4	-72.6	-74.4	136	0	0	111.7	N132 Q138 F139 R399 I401	N132-E135 HydrophobicContact CB-CB 4.01Å; N132-E135 HydrophobicContact CB-CG 4.18Å; N132-E135 VanDerWaalsContact CG-CG 3.47Å; N132-E135 VanDerWaalsContact ND2-CG 3.34Å; N132-E135 WeakPolarHBondContact ND2-CG 3.29Å; N132-E135 PolarHBondContact O-N 3.27Å; N132-E135 PolarHBondContact OD1-N 3.26Å; E135-Q138 PolarHBondContact O-N 2.66Å; E135-F139 WeakPolarHBondContact O-CB 3.21Å; E135-F139 PolarHBondContact O-N 2.93Å; E135-R399 IonicContact OE2-CZ 2.68Å; E135-R399 IonicContact OE2-NE 2.86Å; E135-R399 PolarHBondContact OE2-NE 3.5Å; E135-R399 IonicContact OE2-NH2 3Å; E135-R399 PolarHBondContact OE2-NH2 2.99Å; E135-I401 HydrophobicContact CB-CD1 4.4Å; E135-I401 HydrophobicContact CB-CG1 3.93Å
136	A	97.9	Very high	96.4	Very high	8 Å²	8	55.4 Å²	55.4	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-44.1	178.6	0	0	0	0	0	112.1	M131 N132 S134 F139 K140	M131-A136 HydrophobicContact CE-CB 3.26Å; M131-A136 HydrophobicContact CG-CB 4.42Å; N132-A136 WeakPolarHBondContact O-CB 3.27Å; N132-A136 PolarHBondContact O-N 2.93Å; S134-A136 VanDerWaalsContact C-N 3.34Å; S134-A136 PolarHBondContact O-N 3.36Å; A136-F139 PolarHBondContact O-N 3.1Å; A136-K140 VanDerWaalsContact O-CB 3.32Å; A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 PolarHBondContact O-N 2.79Å
137	N	97	Very high	96.6	Very high	81 Å²	81	52.2 Å²	52.2	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.4	-76.8	-27	0	0	0	112.2	I133 S134 K140 S141	I133-N137 WeakPolarHBondContact CG2-ND2 3.46Å; I133-N137 VanDerWaalsContact O-CB 3.27Å; I133-N137 WeakPolarHBondContact O-CB 3.43Å; I133-N137 VanDerWaalsContact O-CG 3.23Å; I133-N137 PolarHBondContact O-N 3.16Å; I133-N137 PolarHBondContact O-ND2 3.04Å; S134-N137 PolarHBondContact O-N 3.42Å; N137-K140 PolarHBondContact O-N 3.31Å; N137-S141 WeakPolarHBondContact O-CB 3.44Å; N137-S141 PolarHBondContact O-N 2.92Å
138	Q	97.7	Very high	96.6	Very high	114 Å²	114	53.8 Å²	53.8	53%	0.533	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.5	-169.2	-176.4	24.8	0	0	111.5	S134 E135 S141 T142	S134-Q138 WeakPolarHBondContact O-CB 3.36Å; S134-Q138 PolarHBondContact O-N 3.37Å; E135-Q138 PolarHBondContact O-N 2.66Å; Q138-S141 PolarHBondContact O-N 3.31Å; Q138-T142 PolarHBondContact O-N 3.02Å; Q138-T142 VanDerWaalsContact O-N 3.08Å; Q138-T142 PolarHBondContact O-OG1 3.16Å
139	F	97.5	Very high	96.8	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-47.5	175.8	-164.1	-97.1	0	0	0	111.1	E135 A136 S141 T142 L143 Y324 W325 L346 L396 I401	E135-F139 WeakPolarHBondContact O-CB 3.21Å; E135-F139 PolarHBondContact O-N 2.93Å; A136-F139 PolarHBondContact O-N 3.1Å; F139-S141 VanDerWaalsContact C-N 3.33Å; F139-S141 PolarHBondContact O-N 2.74Å; F139-T142 WeakPolarHBondContact O-CA 3.47Å; F139-T142 VanDerWaalsContact O-CB 3.29Å; F139-T142 WeakPolarHBondContact O-CB 3.45Å; F139-T142 PolarHBondContact O-N 3.49Å; F139-L143 HydrophobicContact CD1-CD1 3.93Å; F139-L143 HydrophobicContact CD1-CG 4.11Å; F139-L143 HydrophobicContact CE1-CD1 3.71Å; F139-L143 HydrophobicContact CE1-CD2 4.09Å; F139-L143 HydrophobicContact CE1-CG 3.94Å; F139-L143 HydrophobicContact CZ-CD2 4.44Å; F139-L143 PolarHBondContact O-N 3.49Å; F139-Y324 WeakPolarHBondContact CE2-OH 3.44Å; F139-Y324 HydrophobicContact CZ-CE1 4.06Å; F139-Y324 WeakPolarHBondContact CZ-OH 3.44Å; F139-W325 HydrophobicContact CZ-CH2 4.35Å; F139-L346 HydrophobicContact CD1-CD1 4.22Å; F139-L346 HydrophobicContact CE1-CD1 3.79Å; F139-L396 HydrophobicContact CD2-CD2 4.04Å; F139-L396 HydrophobicContact CE1-CD1 4.22Å; F139-L396 HydrophobicContact CE1-CD2 4.44Å; F139-L396 HydrophobicContact CE2-CD2 3.65Å; F139-L396 HydrophobicContact CZ-CD1 3.97Å; F139-L396 HydrophobicContact CZ-CD2 3.88Å; F139-I401 HydrophobicContact CB-CD1 4.13Å; F139-I401 HydrophobicContact CB-CG1 4.49Å; F139-I401 HydrophobicContact CB-CG2 3.98Å; F139-I401 HydrophobicContact CD1-CG2 3.89Å; F139-I401 HydrophobicContact CD2-CD1 4.11Å; F139-I401 HydrophobicContact CG-CD1 4.22Å; F139-I401 HydrophobicContact CG-CG2 3.93Å
140	K	96.6	Very high	96.7	Very high	16 Å²	16	48.7 Å²	48.7	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-42.1	174.6	179.6	-179.1	-65.4	176.5	0	112.9	A136 N137 T142 L143 S144 S195 L346 C349	A136-K140 VanDerWaalsContact O-CB 3.32Å; A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 PolarHBondContact O-N 2.79Å; N137-K140 PolarHBondContact O-N 3.31Å; K140-T142 VanDerWaalsContact C-N 3.29Å; K140-T142 PolarHBondContact O-N 3.13Å; K140-L143 PolarHBondContact O-N 3.07Å; K140-S144 WeakPolarHBondContact O-CB 3.31Å; K140-S144 PolarHBondContact O-N 2.94Å; K140-S144 PolarHBondContact O-OG 2.85Å; K140-S195 PolarHBondContact NZ-OG 3.32Å; K140-L346 WeakPolarHBondContact CE-O 3.34Å; K140-L346 WeakPolarHBondContact CG-O 3.3Å; K140-C349 WeakPolarHBondContact CE-O 3.49Å; K140-C349 PolarHBondContact NZ-O 3.35Å
141	S	96.2	Very high	96.7	Very high	61 Å²	61	48.4 Å²	48.4	43%	0.427	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-35.7	175.1	177.1	0	0	0	0	112.1	N137 Q138 F139 R145	N137-S141 WeakPolarHBondContact O-CB 3.44Å; N137-S141 PolarHBondContact O-N 2.92Å; Q138-S141 PolarHBondContact O-N 3.31Å; F139-S141 VanDerWaalsContact C-N 3.33Å; F139-S141 PolarHBondContact O-N 2.74Å; S141-R145 WeakPolarHBondContact O-CG 3.5Å; S141-R145 PolarHBondContact O-N 3.47Å; S141-R145 PolarHBondContact O-NE 3.19Å
142	T	97	Very high	96.7	Very high	40 Å²	40	49.8 Å²	49.8	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-44.4	173.7	-56.1	0	0	0	0	111.5	Q138 F139 K140 S144 R145 C146 Y324	Q138-T142 PolarHBondContact O-N 3.02Å; Q138-T142 VanDerWaalsContact O-N 3.08Å; Q138-T142 PolarHBondContact O-OG1 3.16Å; F139-T142 WeakPolarHBondContact O-CA 3.47Å; F139-T142 VanDerWaalsContact O-CB 3.29Å; F139-T142 WeakPolarHBondContact O-CB 3.45Å; F139-T142 PolarHBondContact O-N 3.49Å; K140-T142 VanDerWaalsContact C-N 3.29Å; K140-T142 PolarHBondContact O-N 3.13Å; T142-S144 PolarHBondContact O-N 3.37Å; T142-R145 PolarHBondContact O-N 3.43Å; T142-R145 PolarHBondContact OG1-NH2 3.12Å; T142-C146 PolarHBondContact O-N 3.14Å; T142-Y324 HydrophobicContact CG2-CE2 3.68Å
143	L	97	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-39.4	176.9	-63	-176.4	0	0	0	112.7	F139 K140 R145 C146 C147 N148 Y324 T343 L346 E347	F139-L143 HydrophobicContact CD1-CD1 3.93Å; F139-L143 HydrophobicContact CD1-CG 4.11Å; F139-L143 HydrophobicContact CE1-CD1 3.71Å; F139-L143 HydrophobicContact CE1-CD2 4.09Å; F139-L143 HydrophobicContact CE1-CG 3.94Å; F139-L143 HydrophobicContact CZ-CD2 4.44Å; F139-L143 PolarHBondContact O-N 3.49Å; K140-L143 PolarHBondContact O-N 3.07Å; L143-R145 PolarHBondContact O-N 2.9Å; L143-C146 VanDerWaalsContact CA-SG 3.54Å; L143-C146 PolarHBondContact O-N 3.21Å; L143-C146 VanDerWaalsContact O-N 3.15Å; L143-C146 PolarHBondContact O-SG 3.08Å; L143-C147 PolarHBondContact O-N 2.98Å; L143-N148 PolarHBondContact O-N 3.43Å; L143-Y324 HydrophobicContact CD2-CD1 3.81Å; L143-Y324 HydrophobicContact CD2-CE1 3.42Å; L143-Y324 VanDerWaalsContact CD2-CE1 3.42Å; L143-Y324 HydrophobicContact CD2-CE2 4.42Å; L143-Y324 HydrophobicContact CD2-CG 4.44Å; L143-T343 HydrophobicContact CD1-CG2 3.93Å; L143-T343 HydrophobicContact CD2-CG2 3.92Å; L143-T343 HydrophobicContact CG-CG2 4.47Å; L143-L346 HydrophobicContact CD1-CB 3.57Å; L143-L346 HydrophobicContact CD1-CD1 4.17Å; L143-E347 HydrophobicContact CB-CG 3.52Å; L143-E347 HydrophobicContact CD1-CG 3.99Å; L143-E347 HydrophobicContact CG-CG 4.44Å
144	S	94.1	Very high	96.7	Very high	17 Å²	17	42 Å²	42	12%	0.119	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-29.2	175.9	-67.5	0	0	0	0	112.8	K140 T142 N148 R194	K140-S144 WeakPolarHBondContact O-CB 3.31Å; K140-S144 PolarHBondContact O-N 2.94Å; K140-S144 PolarHBondContact O-OG 2.85Å; T142-S144 PolarHBondContact O-N 3.37Å; S144-N148 WeakPolarHBondContact O-CB 3.39Å; S144-R194 PolarHBondContact OG-NE 3.12Å; S144-R194 PolarHBondContact OG-NH2 3.18Å
145	R	95.1	Very high	96.7	Very high	181 Å²	181	38 Å²	38	68%	0.683	20%	0.196	S	C	*	.	H	α-helix	trans	-84.6	-33.9	175.3	-71.3	178.5	-67.3	129.9	-2	112.7	S141 T142 L143	S141-R145 WeakPolarHBondContact O-CG 3.5Å; S141-R145 PolarHBondContact O-N 3.47Å; S141-R145 PolarHBondContact O-NE 3.19Å; T142-R145 PolarHBondContact O-N 3.43Å; T142-R145 PolarHBondContact OG1-NH2 3.12Å; L143-R145 PolarHBondContact O-N 2.9Å
146	C	93.6	Very high	96.7	Very high	32 Å²	32	35.6 Å²	35.6	22%	0.216	19%	0.185	C	C	.	.	H	α-helix	trans	-75.1	-43.9	179.5	76.7	0	0	0	0	112.4	T142 L143 N320 Y324	T142-C146 PolarHBondContact O-N 3.14Å; L143-C146 VanDerWaalsContact CA-SG 3.54Å; L143-C146 PolarHBondContact O-N 3.21Å; L143-C146 VanDerWaalsContact O-N 3.15Å; L143-C146 PolarHBondContact O-SG 3.08Å; C146-N320 VanDerWaalsContact O-CB 3.3Å; C146-N320 WeakPolarHBondContact O-CB 3.13Å; C146-N320 PolarHBondContact O-ND2 3.15Å; C146-Y324 HydrophobicContact CB-CD2 4.11Å; C146-Y324 HydrophobicContact CB-CG 4.41Å
147	C	96.1	Very high	96.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-47.1	-151.6	-52.7	0	0	0	0	111	L143 Y317 N320 V321	L143-C147 PolarHBondContact O-N 2.98Å; C147-Y317 HydrophobicContact CB-CD2 3.97Å; C147-Y317 HydrophobicContact CB-CE2 3.58Å; C147-Y317 WeakPolarHBondContact O-CD2 3.3Å; C147-N320 HydrophobicContact CB-CB 4.44Å; C147-V321 HydrophobicContact CB-CG2 3.89Å
148	N	96.4	Very high	96.8	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	20%	0.202	S	C	.	.			trans	59.3	62.7	173.1	-165.5	6.6	0	0	0	113.4	L143 S144 P150 A151 F152 E347	L143-N148 PolarHBondContact O-N 3.43Å; S144-N148 WeakPolarHBondContact O-CB 3.39Å; N148-P150 VanDerWaalsContact C-CD 3.4Å; N148-P150 VanDerWaalsContact C-N 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.18Å; N148-A151 PolarHBondContact O-N 3.47Å; N148-F152 HydrophobicContact CB-CD2 4.39Å; N148-F152 PolarHBondContact O-N 3.42Å; N148-E347 WeakPolarHBondContact CA-OE2 3.5Å; N148-E347 PolarHBondContact N-OE2 3.37Å
149	A	97.4	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-50.2	-42.1	176.9	0	0	0	0	0	113.8	A151 F152 L153 Y317 E347 L348	A149-A151 PolarHBondContact O-N 3.26Å; A149-F152 PolarHBondContact O-N 3.4Å; A149-L153 HydrophobicContact CB-CB 4Å; A149-L153 WeakPolarHBondContact O-CB 3.43Å; A149-L153 PolarHBondContact O-N 3.21Å; A149-Y317 HydrophobicContact CB-CE2 3.68Å; A149-E347 HydrophobicContact CB-CB 3.83Å; A149-E347 HydrophobicContact CB-CG 4.29Å; A149-E347 WeakPolarHBondContact CB-OE1 3.4Å; A149-E347 PolarHBondContact N-OE2 3.21Å; A149-L348 HydrophobicContact CB-CG 4.5Å
150	P	95.9	Very high	96.8	Very high	24 Å²	24	36 Å²	36	16%	0.156	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-19.4	176.6	-25	34.3	0	0	0	115	N148 M190 R194 L348	N148-P150 VanDerWaalsContact C-CD 3.4Å; N148-P150 VanDerWaalsContact C-N 3.32Å; P150-M190 WeakPolarHBondContact O-CB 3.29Å; P150-M190 VanDerWaalsContact O-CG 3.22Å; P150-M190 WeakPolarHBondContact O-CG 3.35Å; P150-R194 HydrophobicContact CG-CB 4.05Å; P150-L348 HydrophobicContact CG-CD2 4.03Å
151	A	96.1	Very high	96.9	Very high	32 Å²	32	38.2 Å²	38.2	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-109.1	-30.3	177.6	0	0	0	0	0	113.2	N148 A149 N159	N148-A151 WeakPolarHBondContact ND2-CB 3.18Å; N148-A151 PolarHBondContact O-N 3.47Å; A149-A151 PolarHBondContact O-N 3.26Å; A151-N159 PolarHBondContact O-ND2 2.74Å
152	F	97.1	Very high	97	Very high	75 Å²	75	39.4 Å²	39.4	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-130.2	2.5	-167.3	-70.7	-77	0	0	0	114.7	N148 A149 F154 N159 H314 Y317	N148-F152 HydrophobicContact CB-CD2 4.39Å; N148-F152 PolarHBondContact O-N 3.42Å; A149-F152 PolarHBondContact O-N 3.4Å; F152-F154 PolarHBondContact O-N 3.22Å; F152-N159 HydrophobicContact CD1-CB 4.39Å; F152-N159 HydrophobicContact CE1-CB 4.16Å; F152-H314 WeakPolarHBondContact O-CB 3.03Å; F152-Y317 HydrophobicContact CB-CD2 4.39Å; F152-Y317 WeakPolarHBondContact O-CB 3.42Å
153	L	97.9	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.213	C	C	.	.	S	Bend	trans	-58.3	-43.5	177.8	-175.7	61.6	0	0	0	110.9	A149 M190 F313 H314 Y317 A344 L348	A149-L153 HydrophobicContact CB-CB 4Å; A149-L153 WeakPolarHBondContact O-CB 3.43Å; A149-L153 PolarHBondContact O-N 3.21Å; L153-M190 HydrophobicContact CB-CE 3.83Å; L153-M190 HydrophobicContact CB-SD 4.28Å; L153-M190 HydrophobicContact CD2-CE 3.92Å; L153-M190 HydrophobicContact CG-CE 4.39Å; L153-F313 HydrophobicContact CD1-CD1 4Å; L153-F313 HydrophobicContact CD1-CE1 3.83Å; L153-F313 WeakPolarHBondContact O-CA 3.49Å; L153-H314 PolarHBondContact O-N 3.15Å; L153-H314 VanDerWaalsContact O-N 3.16Å; L153-Y317 HydrophobicContact CD1-CD1 3.72Å; L153-Y317 HydrophobicContact CD1-CE1 3.32Å; L153-A344 HydrophobicContact CD1-CB 3.73Å; L153-A344 HydrophobicContact CD2-CB 3.85Å; L153-A344 HydrophobicContact CG-CB 4.46Å; L153-L348 HydrophobicContact CD2-CD1 3.99Å
154	F	98.3	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-111.4	152.7	178.2	-52.4	-29.4	0	0	0	112.2	F152 T156 N159 M190 P191 Y192 L281 Y311 Y312	F152-F154 PolarHBondContact O-N 3.22Å; F154-T156 HydrophobicContact CB-CG2 4.49Å; F154-T156 PolarHBondContact O-N 2.85Å; F154-N159 PolarHBondContact O-ND2 3.37Å; F154-M190 HydrophobicContact CB-SD 4.23Å; F154-M190 HydrophobicContact CD2-CE 3.81Å; F154-M190 HydrophobicContact CD2-SD 3.55Å; F154-M190 VanDerWaalsContact CD2-SD 3.55Å; F154-M190 HydrophobicContact CE2-CE 3.69Å; F154-M190 HydrophobicContact CE2-SD 4.07Å; F154-M190 HydrophobicContact CG-CE 4.39Å; F154-M190 HydrophobicContact CG-SD 3.99Å; F154-M190 HydrophobicContact CZ-CE 4.17Å; F154-P191 HydrophobicContact CD2-CG 4.13Å; F154-P191 HydrophobicContact CE2-CG 3.91Å; F154-Y192 AromaticContact CE2-CD2 3.94Å; F154-Y192 HydrophobicContact CE2-CD2 3.94Å; F154-Y192 AromaticContact CE2-CE2 3.65Å; F154-Y192 HydrophobicContact CE2-CE2 3.65Å; F154-Y192 HydrophobicContact CZ-CD2 4.24Å; F154-Y192 AromaticContact CZ-CE2 3.85Å; F154-Y192 HydrophobicContact CZ-CE2 3.85Å; F154-L281 HydrophobicContact CD1-CD1 3.65Å; F154-L281 HydrophobicContact CD1-CD2 4.49Å; F154-L281 HydrophobicContact CE1-CD1 3.51Å; F154-L281 HydrophobicContact CE1-CD2 3.61Å; F154-L281 HydrophobicContact CE1-CG 4.18Å; F154-L281 HydrophobicContact CZ-CD1 4.5Å; F154-L281 HydrophobicContact CZ-CD2 4.33Å; F154-Y311 HydrophobicContact CD2-CD1 4.27Å; F154-Y311 AromaticContact CD2-CD2 3.99Å; F154-Y311 HydrophobicContact CD2-CD2 3.99Å; F154-Y311 AromaticContact CD2-CG 3.84Å; F154-Y311 HydrophobicContact CD2-CG 3.84Å; F154-Y311 AromaticContact CE2-CD2 3.58Å; F154-Y311 HydrophobicContact CE2-CD2 3.58Å; F154-Y311 HydrophobicContact CE2-CE2 4.06Å; F154-Y311 AromaticContact CE2-CG 3.93Å; F154-Y311 HydrophobicContact CE2-CG 3.93Å; F154-Y311 HydrophobicContact CG-CG 4.26Å; F154-Y311 AromaticContact CZ-CD2 4Å; F154-Y311 HydrophobicContact CZ-CD2 4Å; F154-Y311 HydrophobicContact CZ-CG 4.43Å; F154-Y312 CarbonylContact C-O 3.51Å; F154-Y312 WeakPolarHBondContact CA-O 3.43Å
155	T	98.3	Very high	97.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.			trans	-70.4	124.8	160	54.4	0	0	0	0	109.3	L166 F186 F285 Y312 H314	T155-L166 HydrophobicContact CG2-CD2 4.37Å; T155-F186 HydrophobicContact CG2-CZ 4.47Å; T155-F186 VanDerWaalsContact OG1-CE1 3.3Å; T155-F186 WeakPolarHBondContact OG1-CE1 3.28Å; T155-F285 HydrophobicContact CG2-CD2 3.78Å; T155-F285 HydrophobicContact CG2-CE2 3.68Å; T155-Y312 PolarHBondContact N-O 3.24Å; T155-Y312 PolarHBondContact OG1-O 2.71Å; T155-H314 HydrophobicContact CG2-CB 4.15Å
156	T	98.4	Very high	97.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.22	C	C	.	.			trans	-125	162.4	179.2	69	0	0	0	0	109.1	F154 K158 N159 T160 P187	F154-T156 HydrophobicContact CB-CG2 4.49Å; F154-T156 PolarHBondContact O-N 2.85Å; T156-K158 PolarHBondContact O-N 3.44Å; T156-K158 PolarHBondContact OG1-N 2.85Å; T156-N159 PolarHBondContact N-OD1 2.88Å; T156-N159 PolarHBondContact O-N 2.85Å; T156-N159 PolarHBondContact O-OD1 3.49Å; T156-N159 PolarHBondContact OG1-N 2.86Å; T156-N159 PolarHBondContact OG1-ND2 3.33Å; T156-N159 PolarHBondContact OG1-OD1 2.83Å; T156-T160 WeakPolarHBondContact O-CA 3.48Å; T156-T160 WeakPolarHBondContact O-CB 3.14Å; T156-T160 PolarHBondContact O-N 3.47Å; T156-P187 CarbonylContact C-O 3.48Å; T156-P187 WeakPolarHBondContact CA-O 3.24Å; T156-P187 WeakPolarHBondContact CB-O 3.39Å; T156-P187 HydrophobicContact CG2-CG 4.13Å
157	Q	98.4	Very high	97.2	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.7	173.5	-64.7	-178.9	20.9	0	0	111.7	F183 F186 P187	Q157-F183 HydrophobicContact CB-CD2 4.36Å; Q157-F183 HydrophobicContact CB-CE2 3.48Å; Q157-F183 VanDerWaalsContact CB-CE2 3.48Å; Q157-F183 HydrophobicContact CB-CZ 3.59Å; Q157-F183 HydrophobicContact CG-CD2 4.1Å; Q157-F183 HydrophobicContact CG-CE1 4.11Å; Q157-F183 HydrophobicContact CG-CE2 3.62Å; Q157-F183 HydrophobicContact CG-CZ 3.63Å; Q157-F186 HydrophobicContact CG-CB 4.03Å; Q157-F186 PolarHBondContact NE2-O 3.44Å; Q157-P187 PolarHBondContact N-O 2.83Å
158	K	97.7	Very high	97.2	Very high	141 Å²	141	44.5 Å²	44.5	61%	0.613	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-46.5	177.8	-175.4	-177.9	-174.1	-179.7	0	113.6	T156 K188 D189	T156-K158 PolarHBondContact O-N 3.44Å; T156-K158 PolarHBondContact OG1-N 2.85Å; K158-K188 PolarHBondContact N-O 2.84Å; K158-D189 VanDerWaalsContact CD-CG 3.45Å; K158-D189 VanDerWaalsContact CD-OD1 3.32Å; K158-D189 WeakPolarHBondContact CD-OD1 3.38Å; K158-D189 VanDerWaalsContact CD-OD2 3.22Å; K158-D189 WeakPolarHBondContact CD-OD2 3.45Å; K158-D189 IonicContact NZ-OD1 3.98Å; K158-D189 IonicContact NZ-OD2 2.67Å; K158-D189 PolarHBondContact NZ-OD2 3.08Å
159	N	97.6	Very high	96.9	Very high	32 Å²	32	43.4 Å²	43.4	17%	0.171	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-15.7	-176.7	72.5	20.1	0	0	0	113.6	A151 F152 F154 T156	A151-N159 PolarHBondContact O-ND2 2.74Å; F152-N159 HydrophobicContact CD1-CB 4.39Å; F152-N159 HydrophobicContact CE1-CB 4.16Å; F154-N159 PolarHBondContact O-ND2 3.37Å; T156-N159 PolarHBondContact N-OD1 2.88Å; T156-N159 PolarHBondContact O-N 2.85Å; T156-N159 PolarHBondContact O-OD1 3.49Å; T156-N159 PolarHBondContact OG1-N 2.86Å; T156-N159 PolarHBondContact OG1-ND2 3.33Å; T156-N159 PolarHBondContact OG1-OD1 2.83Å
160	T	98.3	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-133.4	71.5	178.7	-48.6	0	0	0	0	110.1	T156 T164 L166 I178 F186 H314	T156-T160 WeakPolarHBondContact O-CA 3.48Å; T156-T160 WeakPolarHBondContact O-CB 3.14Å; T156-T160 PolarHBondContact O-N 3.47Å; T160-T164 HydrophobicContact CG2-CG2 4.14Å; T160-L166 HydrophobicContact CG2-CD1 4.5Å; T160-L166 HydrophobicContact CG2-CD2 4.41Å; T160-I178 HydrophobicContact CG2-CD1 4.02Å; T160-I178 HydrophobicContact CG2-CG1 3.77Å; T160-F186 HydrophobicContact CG2-CE2 3.78Å; T160-H314 PolarHBondContact OG1-CD2 3.23Å
161	P	98.1	Very high	95.5	Very high	63 Å²	63	48.2 Å²	48.2	41%	0.409	26%	0.256	S	S	.	.			trans	-62.6	162.8	-178.5	-23.5	35.3	0	0	0	114	G163 T164	P161-G163 PolarHBondContact O-N 3.41Å; P161-T164 WeakPolarHBondContact CD-OG1 3.47Å; P161-T164 WeakPolarHBondContact O-CB 3.42Å; P161-T164 PolarHBondContact O-N 2.96Å; P161-T164 VanDerWaalsContact O-N 3.12Å; P161-T164 PolarHBondContact O-OG1 3.16Å
162	L	98.1	Very high	94.1	Very high	85 Å²	85	52 Å²	52	45%	0.445	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	136.2	172.7	-178.6	65.8	0	0	0	111.3	T164 Q180 F183	L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.05Å; L162-Q180 HydrophobicContact CD1-CB 4.34Å; L162-F183 HydrophobicContact CB-CD2 4.18Å; L162-F183 HydrophobicContact CB-CE2 4.48Å; L162-F183 HydrophobicContact CB-CG 4.18Å; L162-F183 HydrophobicContact CD1-CB 4.15Å
163	G	97.5	Very high	92.9	Very high	52 Å²	52	53.3 Å²	53.3	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-3.6	-178.5	0	0	0	0	0	114.6	P161 K165 I178	P161-G163 PolarHBondContact O-N 3.41Å; G163-K165 PolarHBondContact O-N 3.29Å; G163-I178 WeakPolarHBondContact CA-O 3.26Å; G163-I178 PolarHBondContact N-O 2.84Å
164	T	97.8	Very high	92.2	Very high	42 Å²	42	53.8 Å²	53.8	26%	0.258	30%	0.299	S	S	.	.			trans	-56.4	133.8	174.7	-63.4	0	0	0	0	111.2	T160 P161 L162 L166 I178	T160-T164 HydrophobicContact CG2-CG2 4.14Å; P161-T164 WeakPolarHBondContact CD-OG1 3.47Å; P161-T164 WeakPolarHBondContact O-CB 3.42Å; P161-T164 PolarHBondContact O-N 2.96Å; P161-T164 VanDerWaalsContact O-N 3.12Å; P161-T164 PolarHBondContact O-OG1 3.16Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.05Å; T164-L166 HydrophobicContact CG2-CB 4.39Å; T164-L166 PolarHBondContact O-N 3.49Å; T164-I178 WeakPolarHBondContact O-CG1 3.3Å; T164-I178 PolarHBondContact O-N 3.47Å
165	K	96.3	Very high	91.8	Very high	148 Å²	148	58 Å²	58	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	82	170.6	-67.1	-175.5	-172.9	179.5	0	108.7	G163 K167 I175	G163-K165 PolarHBondContact O-N 3.29Å; K165-K167 PolarHBondContact O-N 3.45Å; K165-I175 HydrophobicContact CB-CG2 3.65Å; K165-I175 HydrophobicContact CG-CG2 4.25Å
166	L	95.6	Very high	91.7	Very high	10 Å²	10	60 Å²	60	5%	0.052	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.3	-173.3	-172.1	64.6	0	0	0	110.4	T155 T160 T164 Y176 I178 F285 P315	T155-L166 HydrophobicContact CG2-CD2 4.37Å; T160-L166 HydrophobicContact CG2-CD1 4.5Å; T160-L166 HydrophobicContact CG2-CD2 4.41Å; T164-L166 HydrophobicContact CG2-CB 4.39Å; T164-L166 PolarHBondContact O-N 3.49Å; L166-Y176 PolarHBondContact N-O 3.12Å; L166-Y176 PolarHBondContact O-N 3.42Å; L166-I178 HydrophobicContact CB-CD1 4.34Å; L166-I178 HydrophobicContact CB-CG1 4.25Å; L166-I178 HydrophobicContact CD2-CD1 4.19Å; L166-F285 HydrophobicContact CD2-CB 4.03Å; L166-F285 HydrophobicContact CD2-CD1 3.72Å; L166-F285 HydrophobicContact CD2-CD2 3.65Å; L166-F285 HydrophobicContact CD2-CE1 4.08Å; L166-F285 HydrophobicContact CD2-CE2 4.02Å; L166-F285 HydrophobicContact CD2-CG 3.49Å; L166-F285 VanDerWaalsContact CD2-CG 3.49Å; L166-F285 HydrophobicContact CD2-CZ 4.23Å; L166-P315 HydrophobicContact CD1-CG 3.65Å; L166-P315 HydrophobicContact CD2-CG 4.09Å; L166-P315 HydrophobicContact CG-CG 3.84Å
167	K	94.7	Very high	91.6	Very high	119 Å²	119	65.2 Å²	65.2	52%	0.517	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.5	175.8	-170.9	175.5	-178.6	169.1	0	110.5	K165 T172 P315	K165-K167 PolarHBondContact O-N 3.45Å; K167-T172 VanDerWaalsContact CE-O 3.26Å; K167-T172 WeakPolarHBondContact CE-O 3.23Å; K167-P315 WeakPolarHBondContact O-CB 3.21Å; K167-P315 WeakPolarHBondContact O-CG 3.39Å
168	Y	94.7	Very high	91.5	Very high	9 Å²	9	63 Å²	63	4%	0.035	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.6	173.3	-73.9	-55.1	0	0	0	112.7	V170 D171 G174 Y176 F285 T288 T291	Y168-V170 VanDerWaalsContact C-N 3.35Å; Y168-V170 PolarHBondContact O-N 2.84Å; Y168-D171 HydrophobicContact CD2-CB 4.12Å; Y168-D171 HydrophobicContact CG-CB 4.38Å; Y168-G174 WeakPolarHBondContact CD2-O 3.26Å; Y168-G174 PolarHBondContact N-O 2.71Å; Y168-Y176 WeakPolarHBondContact OH-CD2 3.26Å; Y168-F285 VanDerWaalsContact CD1-C 3.47Å; Y168-F285 HydrophobicContact CD1-CB 4.1Å; Y168-F285 WeakPolarHBondContact CD1-O 3.28Å; Y168-F285 HydrophobicContact CE1-CB 4.31Å; Y168-F285 HydrophobicContact CE1-CD1 4.21Å; Y168-T288 WeakPolarHBondContact CE2-OG1 3.3Å; Y168-T288 WeakPolarHBondContact OH-CA 3.49Å; Y168-T291 WeakPolarHBondContact CE1-OG1 3.44Å; Y168-T291 PolarHBondContact OH-OG1 2.71Å
169	E	91.1	Very high	91.5	Very high	26 Å²	26	59.8 Å²	59.8	12%	0.121	33%	0.332	C	S	.	.	S	Bend	trans	-57.4	-44.1	178.3	-174.6	-167.3	145.9	0	0	112.5	F285 Y286 P315 L318 V319 R334	E169-F285 PolarHBondContact N-O 3.05Å; E169-Y286 HydrophobicContact CB-CD2 4.16Å; E169-Y286 HydrophobicContact CG-CD2 4.38Å; E169-Y286 WeakPolarHBondContact OE2-CD2 3.48Å; E169-P315 HydrophobicContact CB-CB 4.28Å; E169-L318 HydrophobicContact CG-CB 4.04Å; E169-L318 WeakPolarHBondContact OE2-CD1 3.3Å; E169-V319 HydrophobicContact CG-CG2 4.15Å; E169-R334 IonicContact OE1-CZ 3.49Å; E169-R334 IonicContact OE1-NE 2.74Å; E169-R334 PolarHBondContact OE1-NE 3.14Å; E169-R334 IonicContact OE1-NH2 2.83Å; E169-R334 PolarHBondContact OE1-NH2 3.3Å; E169-R334 IonicContact OE2-CZ 3.22Å; E169-R334 IonicContact OE2-NE 3.89Å; E169-R334 IonicContact OE2-NH2 3.85Å; E169-R334 PolarHBondContact OE2-NH2 3.06Å
170	V	86.3	Confident	91.5	Very high	70 Å²	70	62.1 Å²	62.1	42%	0.424	34%	0.342	S	S	.	.	S	Bend	trans	-119.8	-29.3	-172.7	173	0	0	0	0	113.8	Y168 T172 Y286	Y168-V170 VanDerWaalsContact C-N 3.35Å; Y168-V170 PolarHBondContact O-N 2.84Å; V170-T172 PolarHBondContact O-N 3.26Å; V170-T172 VanDerWaalsContact O-N 3.15Å; V170-Y286 HydrophobicContact CB-CD2 4.32Å; V170-Y286 HydrophobicContact CB-CE2 3.82Å; V170-Y286 HydrophobicContact CG2-CD2 3.89Å; V170-Y286 HydrophobicContact CG2-CE2 3.22Å; V170-Y286 PolarHBondContact N-O 2.79Å
171	D	78.3	Confident	91.4	Very high	55 Å²	55	66.7 Å²	66.7	29%	0.294	36%	0.363	S	S	.	.			trans	-80.9	94.4	177.1	-171.7	-5.5	0	0	0	110.1	Y168 S173 G174 N287	Y168-D171 HydrophobicContact CD2-CB 4.12Å; Y168-D171 HydrophobicContact CG-CB 4.38Å; D171-S173 VanDerWaalsContact C-N 3.28Å; D171-S173 PolarHBondContact O-N 2.88Å; D171-S173 PolarHBondContact OD1-OG 3Å; D171-G174 PolarHBondContact O-N 3.27Å; D171-G174 PolarHBondContact OD1-N 3.15Å; D171-N287 HydrophobicContact CB-CB 4.31Å
172	T	66.5	Low	91.4	Very high	110 Å²	110	63.8 Å²	63.8	68%	0.675	34%	0.344	S	S	*	.	S	Bend	trans	-69.6	-21.1	-167.8	49.5	0	0	0	0	114.6	K167 V170	K167-T172 VanDerWaalsContact CE-O 3.26Å; K167-T172 WeakPolarHBondContact CE-O 3.23Å; V170-T172 PolarHBondContact O-N 3.26Å; V170-T172 VanDerWaalsContact O-N 3.15Å
173	S	71.6	Confident	91.4	Very high	103 Å²	103	61.5 Å²	61.5	72%	0.72	33%	0.331	S	S	*	.	S	Bend	trans	-99	-17.1	173.2	53.1	0	0	0	0	113	D171 I175	D171-S173 VanDerWaalsContact C-N 3.28Å; D171-S173 PolarHBondContact O-N 2.88Å; D171-S173 PolarHBondContact OD1-OG 3Å; S173-I175 PolarHBondContact O-N 2.93Å
174	G	83.2	Confident	91.4	Very high	11 Å²	11	67.7 Å²	67.7	11%	0.113	34%	0.338	C	S	.	.			trans	-74.4	119.1	178.5	0	0	0	0	0	112.7	Y168 D171	Y168-G174 WeakPolarHBondContact CD2-O 3.26Å; Y168-G174 PolarHBondContact N-O 2.71Å; D171-G174 PolarHBondContact O-N 3.27Å; D171-G174 PolarHBondContact OD1-N 3.15Å
175	I	90.6	Very high	91.3	Very high	88 Å²	88	66.9 Å²	66.9	45%	0.451	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.8	171.9	-64	175.2	0	0	0	108	K165 S173	K165-I175 HydrophobicContact CB-CG2 3.65Å; K165-I175 HydrophobicContact CG-CG2 4.25Å; S173-I175 PolarHBondContact O-N 2.93Å
176	Y	94.5	Very high	91.4	Very high	42 Å²	42	60.1 Å²	60.1	17%	0.165	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.2	170	-166.1	-97.3	0	0	0	110.2	L166 Y168 I178 I182 F285 T291	L166-Y176 PolarHBondContact N-O 3.12Å; L166-Y176 PolarHBondContact O-N 3.42Å; Y168-Y176 WeakPolarHBondContact OH-CD2 3.26Å; Y176-I178 HydrophobicContact CD1-CD1 3.81Å; Y176-I178 HydrophobicContact CE1-CD1 4.16Å; Y176-I182 HydrophobicContact CE1-CB 4.48Å; Y176-I182 HydrophobicContact CE1-CG1 4.01Å; Y176-I182 HydrophobicContact CE1-CG2 4.2Å; Y176-I182 VanDerWaalsContact OH-CG1 3.3Å; Y176-I182 WeakPolarHBondContact OH-CG1 3.28Å; Y176-F285 HydrophobicContact CD1-CD1 4.29Å; Y176-F285 AromaticContact CD1-CE1 3.74Å; Y176-F285 HydrophobicContact CD1-CE1 3.74Å; Y176-F285 HydrophobicContact CE1-CE1 4.01Å; Y176-F285 HydrophobicContact CG-CD1 4.42Å; Y176-F285 HydrophobicContact CG-CE1 4.27Å; Y176-T291 HydrophobicContact CD2-CG2 3.98Å; Y176-T291 HydrophobicContact CE2-CG2 3.52Å
177	H	96.1	Very high	91.5	Very high	112 Å²	112	61 Å²	61	52%	0.519	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.2	178.4	-69.8	-99.1	0	0	0	109.7	N179	H177-N179 PolarHBondContact O-N 2.79Å
178	I	97.6	Very high	91.6	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.021	32%	0.319	C	S	.	.			trans	-72.1	105.3	-179.8	-58.3	-67.9	0	0	0	109	T160 G163 T164 L166 Y176 I182 F183 F186 F285	T160-I178 HydrophobicContact CG2-CD1 4.02Å; T160-I178 HydrophobicContact CG2-CG1 3.77Å; G163-I178 WeakPolarHBondContact CA-O 3.26Å; G163-I178 PolarHBondContact N-O 2.84Å; T164-I178 WeakPolarHBondContact O-CG1 3.3Å; T164-I178 PolarHBondContact O-N 3.47Å; L166-I178 HydrophobicContact CB-CD1 4.34Å; L166-I178 HydrophobicContact CB-CG1 4.25Å; L166-I178 HydrophobicContact CD2-CD1 4.19Å; Y176-I178 HydrophobicContact CD1-CD1 3.81Å; Y176-I178 HydrophobicContact CE1-CD1 4.16Å; I178-I182 HydrophobicContact CD1-CG2 4.12Å; I178-F183 HydrophobicContact CG2-CB 4.02Å; I178-F186 HydrophobicContact CD1-CE2 4Å; I178-F186 HydrophobicContact CD1-CZ 3.92Å; I178-F186 HydrophobicContact CG2-CE2 4.24Å; I178-F285 HydrophobicContact CD1-CE1 4.44Å; I178-F285 HydrophobicContact CD1-CZ 4.39Å
179	N	97.4	Very high	91.7	Very high	74 Å²	74	66.5 Å²	66.5	40%	0.396	34%	0.336	S	S	.	.			trans	-90.3	177.9	176.4	71.5	20	0	0	0	111.3	H177 E181 I182 F183	H177-N179 PolarHBondContact O-N 2.79Å; N179-E181 VanDerWaalsContact C-N 3.3Å; N179-E181 PolarHBondContact O-N 3.07Å; N179-E181 WeakPolarHBondContact OD1-CB 3.4Å; N179-E181 PolarHBondContact OD1-N 2.73Å; N179-E181 VanDerWaalsContact OD1-N 3.1Å; N179-I182 WeakPolarHBondContact OD1-CG1 3.29Å; N179-I182 PolarHBondContact OD1-N 2.95Å; N179-F183 WeakPolarHBondContact O-CB 3.48Å; N179-F183 PolarHBondContact O-N 3.2Å
180	Q	98.1	Very high	91.9	Very high	81 Å²	81	66.2 Å²	66.2	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-33.9	-176.9	-174.2	59.1	68.1	0	0	113.5	L162 R184	L162-Q180 HydrophobicContact CD1-CB 4.34Å; Q180-R184 VanDerWaalsContact NE2-NE 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.28Å; Q180-R184 WeakPolarHBondContact O-CG 3.4Å; Q180-R184 PolarHBondContact O-N 2.85Å
181	E	96.3	Very high	92.2	Very high	96 Å²	96	65.2 Å²	65.2	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-52.7	-178.8	-166.6	-166.7	158.6	0	0	110.5	N179 F183 R184 M185 Y299	N179-E181 VanDerWaalsContact C-N 3.3Å; N179-E181 PolarHBondContact O-N 3.07Å; N179-E181 WeakPolarHBondContact OD1-CB 3.4Å; N179-E181 PolarHBondContact OD1-N 2.73Å; N179-E181 VanDerWaalsContact OD1-N 3.1Å; E181-F183 PolarHBondContact O-N 2.82Å; E181-R184 PolarHBondContact O-N 2.96Å; E181-M185 HydrophobicContact CG-CE 3.97Å; E181-M185 PolarHBondContact O-N 2.69Å; E181-Y299 PolarHBondContact OE1-OH 2.92Å
182	I	97.2	Very high	93	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-41.9	179.6	-59.3	-60.8	0	0	0	111.4	Y176 I178 N179 R184 M185 F186 F285 I295	Y176-I182 HydrophobicContact CE1-CB 4.48Å; Y176-I182 HydrophobicContact CE1-CG1 4.01Å; Y176-I182 HydrophobicContact CE1-CG2 4.2Å; Y176-I182 VanDerWaalsContact OH-CG1 3.3Å; Y176-I182 WeakPolarHBondContact OH-CG1 3.28Å; I178-I182 HydrophobicContact CD1-CG2 4.12Å; N179-I182 WeakPolarHBondContact OD1-CG1 3.29Å; N179-I182 PolarHBondContact OD1-N 2.95Å; I182-R184 PolarHBondContact O-N 3.25Å; I182-M185 HydrophobicContact CD1-CE 3.99Å; I182-M185 HydrophobicContact CD1-SD 4.08Å; I182-M185 WeakPolarHBondContact O-CB 3.47Å; I182-M185 PolarHBondContact O-N 3.02Å; I182-F186 HydrophobicContact CG2-CE1 3.79Å; I182-F186 HydrophobicContact CG2-CE2 4.32Å; I182-F186 HydrophobicContact CG2-CZ 3.56Å; I182-F285 HydrophobicContact CG2-CZ 4.31Å; I182-I295 HydrophobicContact CD1-CD1 3.42Å; I182-I295 VanDerWaalsContact CD1-CD1 3.42Å; I182-I295 HydrophobicContact CD1-CG1 3.92Å; I182-I295 HydrophobicContact CD1-CG2 4.28Å
183	F	98	Very high	94.1	Very high	37 Å²	37	65.7 Å²	65.7	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-56.5	-39	177.2	176.5	-101	0	0	0	112.2	Q157 L162 I178 N179 E181 M185 F186	Q157-F183 HydrophobicContact CB-CD2 4.36Å; Q157-F183 HydrophobicContact CB-CE2 3.48Å; Q157-F183 VanDerWaalsContact CB-CE2 3.48Å; Q157-F183 HydrophobicContact CB-CZ 3.59Å; Q157-F183 HydrophobicContact CG-CD2 4.1Å; Q157-F183 HydrophobicContact CG-CE1 4.11Å; Q157-F183 HydrophobicContact CG-CE2 3.62Å; Q157-F183 HydrophobicContact CG-CZ 3.63Å; L162-F183 HydrophobicContact CB-CD2 4.18Å; L162-F183 HydrophobicContact CB-CE2 4.48Å; L162-F183 HydrophobicContact CB-CG 4.18Å; L162-F183 HydrophobicContact CD1-CB 4.15Å; I178-F183 HydrophobicContact CG2-CB 4.02Å; N179-F183 WeakPolarHBondContact O-CB 3.48Å; N179-F183 PolarHBondContact O-N 3.2Å; E181-F183 PolarHBondContact O-N 2.82Å; F183-M185 VanDerWaalsContact C-N 3.25Å; F183-M185 PolarHBondContact O-N 3.24Å; F183-F186 PolarHBondContact O-N 3.26Å
184	R	97.1	Very high	94.9	Very high	182 Å²	182	66.9 Å²	66.9	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-68.7	-21.3	176.8	-75.2	172.1	-175.6	178.7	-0.1	113.5	Q180 E181 I182 F186	Q180-R184 VanDerWaalsContact NE2-NE 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.28Å; Q180-R184 WeakPolarHBondContact O-CG 3.4Å; Q180-R184 PolarHBondContact O-N 2.85Å; E181-R184 PolarHBondContact O-N 2.96Å; I182-R184 PolarHBondContact O-N 3.25Å; R184-F186 VanDerWaalsContact C-N 3.31Å
185	M	96.7	Very high	95	Very high	25 Å²	25	68.1 Å²	68.1	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-76.6	-20.1	175.8	-57.6	-177.7	-167.8	0	0	112.6	E181 I182 F183 I295 K298 Y299 Y312	E181-M185 HydrophobicContact CG-CE 3.97Å; E181-M185 PolarHBondContact O-N 2.69Å; I182-M185 HydrophobicContact CD1-CE 3.99Å; I182-M185 HydrophobicContact CD1-SD 4.08Å; I182-M185 WeakPolarHBondContact O-CB 3.47Å; I182-M185 PolarHBondContact O-N 3.02Å; F183-M185 VanDerWaalsContact C-N 3.25Å; F183-M185 PolarHBondContact O-N 3.24Å; M185-I295 HydrophobicContact CE-CG2 3.87Å; M185-I295 HydrophobicContact SD-CG2 4.01Å; M185-K298 HydrophobicContact CG-CG 4.34Å; M185-K298 HydrophobicContact SD-CB 4.4Å; M185-K298 HydrophobicContact SD-CG 4.12Å; M185-Y299 HydrophobicContact CE-CD1 4.49Å; M185-Y299 HydrophobicContact CE-CE1 3.52Å; M185-Y312 HydrophobicContact CB-CE2 4.46Å
186	F	98	Very high	95.2	Very high	5 Å²	5	66.8 Å²	66.8	2%	0.022	30%	0.304	C	S	.	.	S	Bend	trans	-78.8	143.5	-178.9	-61.1	-17.6	0	0	0	111.5	T155 Q157 T160 I178 I182 F183 R184 F285 Y312	T155-F186 HydrophobicContact CG2-CZ 4.47Å; T155-F186 VanDerWaalsContact OG1-CE1 3.3Å; T155-F186 WeakPolarHBondContact OG1-CE1 3.28Å; Q157-F186 HydrophobicContact CG-CB 4.03Å; Q157-F186 PolarHBondContact NE2-O 3.44Å; T160-F186 HydrophobicContact CG2-CE2 3.78Å; I178-F186 HydrophobicContact CD1-CE2 4Å; I178-F186 HydrophobicContact CD1-CZ 3.92Å; I178-F186 HydrophobicContact CG2-CE2 4.24Å; I182-F186 HydrophobicContact CG2-CE1 3.79Å; I182-F186 HydrophobicContact CG2-CE2 4.32Å; I182-F186 HydrophobicContact CG2-CZ 3.56Å; F183-F186 PolarHBondContact O-N 3.26Å; R184-F186 VanDerWaalsContact C-N 3.31Å; F186-F285 HydrophobicContact CE1-CE2 4.01Å; F186-F285 AromaticContact CE1-CZ 3.94Å; F186-F285 HydrophobicContact CE1-CZ 3.94Å; F186-F285 AromaticContact CZ-CE2 3.85Å; F186-F285 HydrophobicContact CZ-CE2 3.85Å; F186-F285 AromaticContact CZ-CZ 3.66Å; F186-F285 HydrophobicContact CZ-CZ 3.66Å; F186-Y312 HydrophobicContact CD1-CD2 4.04Å; F186-Y312 HydrophobicContact CD1-CE2 4.47Å; F186-Y312 AromaticContact CE1-CD2 3.76Å; F186-Y312 HydrophobicContact CE1-CD2 3.76Å; F186-Y312 HydrophobicContact CE1-CE2 4.28Å
187	P	97.4	Very high	95.3	Very high	28 Å²	28	66 Å²	66	18%	0.182	30%	0.301	C	S	.	.			trans	-62.6	152.7	168.2	30.3	-36.4	0	0	0	110.2	T156 Q157 D189 Y311	T156-P187 CarbonylContact C-O 3.48Å; T156-P187 WeakPolarHBondContact CA-O 3.24Å; T156-P187 WeakPolarHBondContact CB-O 3.39Å; T156-P187 HydrophobicContact CG2-CG 4.13Å; Q157-P187 PolarHBondContact N-O 2.83Å; P187-D189 PolarHBondContact O-N 2.85Å; P187-Y311 HydrophobicContact CB-CE1 3.98Å; P187-Y311 HydrophobicContact CG-CD1 3.87Å; P187-Y311 HydrophobicContact CG-CE1 3.79Å
188	K	96.9	Very high	95.4	Very high	172 Å²	172	67.7 Å²	67.7	75%	0.748	31%	0.307	S	S	*	.	S	Bend	trans	-59.3	-46.8	-179.5	-69.1	-175.6	178.6	179.3	0	111.9	K158	K158-K188 PolarHBondContact N-O 2.84Å
189	D	96.1	Very high	95.4	Very high	73 Å²	73	69.7 Å²	69.7	39%	0.39	32%	0.316	S	S	.	.	S	Bend	trans	-140.7	176.1	176.7	-152.2	-17.8	0	0	0	109.6	K158 P187	K158-D189 VanDerWaalsContact CD-CG 3.45Å; K158-D189 VanDerWaalsContact CD-OD1 3.32Å; K158-D189 WeakPolarHBondContact CD-OD1 3.38Å; K158-D189 VanDerWaalsContact CD-OD2 3.22Å; K158-D189 WeakPolarHBondContact CD-OD2 3.45Å; K158-D189 IonicContact NZ-OD1 3.98Å; K158-D189 IonicContact NZ-OD2 2.67Å; K158-D189 PolarHBondContact NZ-OD2 3.08Å; P187-D189 PolarHBondContact O-N 2.85Å
190	M	95	Very high	95.5	Very high	20 Å²	20	66.2 Å²	66.2	10%	0.099	30%	0.297	C	S	.	.			trans	-62.3	124.6	175	-173.8	68.8	-171.8	0	0	109.7	P150 L153 F154 Y192	P150-M190 WeakPolarHBondContact O-CB 3.29Å; P150-M190 VanDerWaalsContact O-CG 3.22Å; P150-M190 WeakPolarHBondContact O-CG 3.35Å; L153-M190 HydrophobicContact CB-CE 3.83Å; L153-M190 HydrophobicContact CB-SD 4.28Å; L153-M190 HydrophobicContact CD2-CE 3.92Å; L153-M190 HydrophobicContact CG-CE 4.39Å; F154-M190 HydrophobicContact CB-SD 4.23Å; F154-M190 HydrophobicContact CD2-CE 3.81Å; F154-M190 HydrophobicContact CD2-SD 3.55Å; F154-M190 VanDerWaalsContact CD2-SD 3.55Å; F154-M190 HydrophobicContact CE2-CE 3.69Å; F154-M190 HydrophobicContact CE2-SD 4.07Å; F154-M190 HydrophobicContact CG-CE 4.39Å; F154-M190 HydrophobicContact CG-SD 3.99Å; F154-M190 HydrophobicContact CZ-CE 4.17Å; M190-Y192 HydrophobicContact CE-CD2 3.68Å; M190-Y192 HydrophobicContact CE-CG 4.25Å; M190-Y192 WeakPolarHBondContact CG-O 3.33Å; M190-Y192 PolarHBondContact O-N 3.49Å
191	P	94.1	Very high	95.5	Very high	48 Å²	48	62.4 Å²	62.4	31%	0.312	28%	0.279	S	S	.	.	S	Bend	trans	-73.5	-12.5	-178.8	30.9	-36.4	0	0	0	112.9	F154 Y311	F154-P191 HydrophobicContact CD2-CG 4.13Å; F154-P191 HydrophobicContact CE2-CG 3.91Å; P191-Y311 HydrophobicContact CG-CE2 4.12Å
192	Y	94.4	Very high	95.6	Very high	26 Å²	26	57.8 Å²	57.8	10%	0.102	26%	0.258	C	S	.	.			trans	-121.6	140.3	-177.7	-43.7	-49.5	0	0	0	111.5	F154 M190 F197 F223 V246 L348	F154-Y192 AromaticContact CE2-CD2 3.94Å; F154-Y192 HydrophobicContact CE2-CD2 3.94Å; F154-Y192 AromaticContact CE2-CE2 3.65Å; F154-Y192 HydrophobicContact CE2-CE2 3.65Å; F154-Y192 HydrophobicContact CZ-CD2 4.24Å; F154-Y192 AromaticContact CZ-CE2 3.85Å; F154-Y192 HydrophobicContact CZ-CE2 3.85Å; M190-Y192 HydrophobicContact CE-CD2 3.68Å; M190-Y192 HydrophobicContact CE-CG 4.25Å; M190-Y192 WeakPolarHBondContact CG-O 3.33Å; M190-Y192 PolarHBondContact O-N 3.49Å; Y192-F197 HydrophobicContact CD1-CE2 4.32Å; Y192-F197 AromaticContact CD1-CZ 3.94Å; Y192-F197 HydrophobicContact CD1-CZ 3.94Å; Y192-F197 HydrophobicContact CE1-CZ 4.45Å; Y192-F197 HydrophobicContact CG-CE2 4.39Å; Y192-F197 HydrophobicContact CG-CZ 4.47Å; Y192-F223 HydrophobicContact CD1-CE2 4.4Å; Y192-F223 AromaticContact CE1-CE2 3.85Å; Y192-F223 HydrophobicContact CE1-CE2 3.85Å; Y192-F223 HydrophobicContact CE1-CZ 4.16Å; Y192-F223 HydrophobicContact CE2-CE2 4.43Å; Y192-F223 AromaticContact CE2-CZ 3.93Å; Y192-F223 HydrophobicContact CE2-CZ 3.93Å; Y192-F223 AromaticContact CZ-CE2 3.87Å; Y192-F223 AromaticContact CZ-CZ 3.71Å; Y192-V246 HydrophobicContact CE2-CG2 4.22Å; Y192-L348 HydrophobicContact CD2-CD1 4.38Å
193	Y	89.6	Confident	95.7	Very high	150 Å²	150	57.7 Å²	57.7	59%	0.588	26%	0.257	S	S	*	.			trans	-113	172.7	176	61.2	-90.6	0	0	0	111.9	Q196	Y193-Q196 HydrophobicContact CD1-CB 4.15Å; Y193-Q196 HydrophobicContact CD1-CG 4.13Å; Y193-Q196 HydrophobicContact CD2-CB 3.87Å; Y193-Q196 HydrophobicContact CE1-CB 3.96Å; Y193-Q196 VanDerWaalsContact CE1-CD 3.48Å; Y193-Q196 HydrophobicContact CE1-CG 3.59Å; Y193-Q196 HydrophobicContact CE2-CB 3.65Å; Y193-Q196 HydrophobicContact CE2-CG 4.06Å; Y193-Q196 HydrophobicContact CG-CB 4.11Å; Y193-Q196 VanDerWaalsContact N-OE1 3.12Å; Y193-Q196 WeakPolarHBondContact O-CB 3.18Å; Y193-Q196 PolarHBondContact O-N 2.86Å
194	R	89	Confident	95.7	Very high	128 Å²	128	56.1 Å²	56.1	48%	0.483	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.8	-176.9	-177.5	-178.7	-67.8	150.8	3.4	111.3	S144 P150 Q196	S144-R194 PolarHBondContact OG-NE 3.12Å; S144-R194 PolarHBondContact OG-NH2 3.18Å; P150-R194 HydrophobicContact CG-CB 4.05Å; R194-Q196 PolarHBondContact O-N 2.85Å
195	S	85.7	Confident	95.8	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.8	179.4	-56.6	0	0	0	0	112.9	K140 F197 L348	K140-S195 PolarHBondContact NZ-OG 3.32Å; S195-F197 VanDerWaalsContact C-N 3.28Å; S195-L348 CarbonylContact C-O 3.44Å; S195-L348 WeakPolarHBondContact CA-O 3.24Å; S195-L348 PolarHBondContact N-O 3.01Å; S195-L348 VanDerWaalsContact N-O 3.12Å
196	Q	93.4	Very high	95.8	Very high	61 Å²	61	47.6 Å²	47.6	29%	0.285	22%	0.222	S	C	.	.			trans	-67.6	-33.8	177.5	174.1	174.5	0.7	0	0	111.7	Y193 R194 L348	Y193-Q196 HydrophobicContact CD1-CB 4.15Å; Y193-Q196 HydrophobicContact CD1-CG 4.13Å; Y193-Q196 HydrophobicContact CD2-CB 3.87Å; Y193-Q196 HydrophobicContact CE1-CB 3.96Å; Y193-Q196 VanDerWaalsContact CE1-CD 3.48Å; Y193-Q196 HydrophobicContact CE1-CG 3.59Å; Y193-Q196 HydrophobicContact CE2-CB 3.65Å; Y193-Q196 HydrophobicContact CE2-CG 4.06Å; Y193-Q196 HydrophobicContact CG-CB 4.11Å; Y193-Q196 VanDerWaalsContact N-OE1 3.12Å; Y193-Q196 WeakPolarHBondContact O-CB 3.18Å; Y193-Q196 PolarHBondContact O-N 2.86Å; R194-Q196 PolarHBondContact O-N 2.85Å; Q196-L348 PolarHBondContact N-O 3.36Å
197	F	97.1	Very high	95.8	Very high	24 Å²	24	47.4 Å²	47.4	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.5	-173.1	-50.7	-67.5	0	0	0	110	Y192 S195 C200 D222 F223 C349 E350	Y192-F197 HydrophobicContact CD1-CE2 4.32Å; Y192-F197 AromaticContact CD1-CZ 3.94Å; Y192-F197 HydrophobicContact CD1-CZ 3.94Å; Y192-F197 HydrophobicContact CE1-CZ 4.45Å; Y192-F197 HydrophobicContact CG-CE2 4.39Å; Y192-F197 HydrophobicContact CG-CZ 4.47Å; S195-F197 VanDerWaalsContact C-N 3.28Å; F197-C200 VanDerWaalsContact CB-SG 3.55Å; F197-D222 HydrophobicContact CB-CB 4.2Å; F197-D222 HydrophobicContact CD1-CB 4.47Å; F197-F223 HydrophobicContact CB-CB 4.21Å; F197-F223 HydrophobicContact CD1-CB 3.86Å; F197-F223 AromaticContact CD1-CD2 3.98Å; F197-F223 HydrophobicContact CD1-CD2 3.98Å; F197-F223 HydrophobicContact CD1-CG 4.31Å; F197-F223 HydrophobicContact CD2-CB 3.98Å; F197-F223 HydrophobicContact CD2-CD2 4.12Å; F197-F223 HydrophobicContact CD2-CG 4.08Å; F197-F223 HydrophobicContact CE1-CB 4.22Å; F197-F223 AromaticContact CE1-CD2 3.44Å; F197-F223 HydrophobicContact CE1-CD2 3.44Å; F197-F223 VanDerWaalsContact CE1-CD2 3.44Å; F197-F223 HydrophobicContact CE1-CE2 4.14Å; F197-F223 HydrophobicContact CE1-CG 4.19Å; F197-F223 HydrophobicContact CE2-CB 4.33Å; F197-F223 AromaticContact CE2-CD2 3.6Å; F197-F223 HydrophobicContact CE2-CD2 3.6Å; F197-F223 AromaticContact CE2-CE2 3.93Å; F197-F223 HydrophobicContact CE2-CE2 3.93Å; F197-F223 AromaticContact CE2-CG 3.96Å; F197-F223 HydrophobicContact CE2-CG 3.96Å; F197-F223 HydrophobicContact CG-CB 3.73Å; F197-F223 HydrophobicContact CG-CD2 4.29Å; F197-F223 HydrophobicContact CG-CG 4.26Å; F197-F223 HydrophobicContact CZ-CB 4.44Å; F197-F223 AromaticContact CZ-CD2 3.22Å; F197-F223 HydrophobicContact CZ-CD2 3.22Å; F197-F223 AromaticContact CZ-CE2 3.54Å; F197-F223 HydrophobicContact CZ-CE2 3.54Å; F197-F223 HydrophobicContact CZ-CG 4.02Å; F197-C349 HydrophobicContact CB-CB 4.4Å; F197-C349 CarbonylContact O-C 3.15Å; F197-C349 VanDerWaalsContact O-CA 3.22Å; F197-C349 WeakPolarHBondContact O-CA 3.22Å; F197-E350 PolarHBondContact O-N 3.09Å
198	K	97.3	Very high	95.8	Very high	148 Å²	148	47 Å²	47	64%	0.643	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	-50	179.7	-56.2	179.4	175.3	179.1	0	109.7	D222 E350 E351	K198-D222 WeakPolarHBondContact CA-OD2 3.47Å; K198-D222 WeakPolarHBondContact CB-OD2 3.4Å; K198-D222 PolarHBondContact N-OD2 3.19Å; K198-E350 WeakPolarHBondContact O-CB 3.45Å; K198-E351 WeakPolarHBondContact O-CB 3.46Å; K198-E351 PolarHBondContact O-N 2.94Å
199	K	98.4	Very high	95.9	Very high	47 Å²	47	39 Å²	39	20%	0.204	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.1	179.4	-172.8	178.4	-179.6	-177.4	0	111.8	E217 A221 D222 F223 E351 H353	K199-E217 IonicContact NZ-OE1 3.5Å; K199-A221 HydrophobicContact CG-CB 4.44Å; K199-D222 PolarHBondContact N-OD2 3.28Å; K199-D222 WeakPolarHBondContact O-CB 3.3Å; K199-D222 PolarHBondContact O-N 2.62Å; K199-F223 PolarHBondContact O-N 3.47Å; K199-E351 WeakPolarHBondContact CA-O 3.32Å; K199-H353 WeakPolarHBondContact CE-CE1 3.39Å; K199-H353 WeakPolarHBondContact CE-ND1 3.45Å
200	C	98.8	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.7	173.2	-70.7	0	0	0	0	112.1	F197 F223 F225 A345 C349 E351 H353	F197-C200 VanDerWaalsContact CB-SG 3.55Å; C200-F223 CarbonylContact C-O 3.49Å; C200-F223 VanDerWaalsContact CA-O 3.28Å; C200-F223 WeakPolarHBondContact CA-O 3.38Å; C200-F225 HydrophobicContact CB-CE2 4.46Å; C200-A345 HydrophobicContact CB-CB 4.46Å; C200-C349 HydrophobicContact CB-CB 3.61Å; C200-C349 WeakPolarHBondContact CB-SG 3.43Å; C200-C349 WeakPolarHBondContact SG-CB 3.44Å; C200-C349 CovalentContact SG-SG 2Å; C200-C349 PolarHBondContact SG-SG 2.79Å; C200-E351 PolarHBondContact N-O 3.19Å; C200-H353 PolarHBondContact O-N 2.99Å
201	A	98.9	Very high	95.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.7	167.5	0	0	0	0	0	109.5	I218 A221 F223 V224 F225 H353 F355	A201-I218 HydrophobicContact CB-CG2 4.38Å; A201-A221 HydrophobicContact CB-CB 3.73Å; A201-F223 PolarHBondContact N-O 2.79Å; A201-V224 HydrophobicContact CB-CG1 4.43Å; A201-V224 HydrophobicContact CB-CG2 4.29Å; A201-V224 WeakPolarHBondContact O-CA 3.43Å; A201-F225 PolarHBondContact O-N 3.4Å; A201-H353 CarbonylContact C-O 3.44Å; A201-H353 WeakPolarHBondContact CA-O 3.48Å; A201-F355 HydrophobicContact CB-CD2 4.05Å; A201-F355 HydrophobicContact CB-CE2 3.87Å
202	V	98.9	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.6	167.9	-170.9	0	0	0	0	107.4	F225 L341 A345 V352 H353 L354 F355 F357	V202-F225 HydrophobicContact CB-CB 4.48Å; V202-F225 HydrophobicContact CG1-CB 4.15Å; V202-F225 HydrophobicContact CG2-CB 4.33Å; V202-F225 HydrophobicContact CG2-CD2 4.04Å; V202-L341 HydrophobicContact CG1-CB 3.87Å; V202-A345 HydrophobicContact CG2-CB 3.54Å; V202-V352 HydrophobicContact CG2-CG1 4.2Å; V202-H353 PolarHBondContact N-O 2.95Å; V202-L354 HydrophobicContact CB-CD2 3.67Å; V202-L354 HydrophobicContact CG1-CD2 4.43Å; V202-L354 HydrophobicContact CG2-CD2 3.97Å; V202-F355 PolarHBondContact O-N 3.31Å; V202-F357 HydrophobicContact CB-CE2 4.17Å; V202-F357 HydrophobicContact CB-CZ 4.42Å; V202-F357 HydrophobicContact CG1-CE2 3.84Å; V202-F357 HydrophobicContact CG1-CZ 3.7Å; V202-F357 WeakPolarHBondContact O-CE2 3.27Å
203	V	98.9	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.3	-175.6	-168.7	0	0	0	0	108.7	L209 I218 V224 F225 R226 C227 F355	V203-L209 HydrophobicContact CG1-CD1 4.1Å; V203-I218 HydrophobicContact CG1-CD1 4.44Å; V203-I218 HydrophobicContact CG2-CD1 4.16Å; V203-I218 HydrophobicContact CG2-CG1 4.29Å; V203-I218 HydrophobicContact CG2-CG2 3.73Å; V203-V224 HydrophobicContact CG2-CG1 3.94Å; V203-F225 PolarHBondContact N-O 2.88Å; V203-R226 HydrophobicContact CB-CG 4.31Å; V203-C227 PolarHBondContact O-N 3.29Å; V203-F355 HydrophobicContact CG1-CB 4.45Å; V203-F355 HydrophobicContact CG2-CB 4.46Å
204	G	98.4	Very high	96.6	Very high	5 Å²	5	40.9 Å²	40.9	5%	0.052	19%	0.189	C	C	.	.			trans	-75.8	176.4	164.6	0	0	0	0	0	111.3	L209 F355	G204-L209 WeakPolarHBondContact O-CD1 3.3Å; G204-F355 PolarHBondContact N-O 3.13Å
205	N	98.3	Very high	97	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	17%	0.167	C	C	.	.			trans	-102.1	5.2	-171.9	-64.7	-14.9	0	0	0	113.7	C227 P230 H372 Y373 Y374	N205-C227 PolarHBondContact ND2-O 2.73Å; N205-C227 PolarHBondContact OD1-O 3Å; N205-P230 VanDerWaalsContact OD1-CB 3.23Å; N205-P230 WeakPolarHBondContact OD1-CB 3.39Å; N205-P230 WeakPolarHBondContact OD1-CG 3.49Å; N205-H372 CarbonylContact O-C 3.41Å; N205-H372 WeakPolarHBondContact O-CA 3.48Å; N205-Y373 HydrophobicContact CB-CE1 4.45Å; N205-Y373 WeakPolarHBondContact O-CD1 3.32Å; N205-Y373 PolarHBondContact O-N 3.11Å; N205-Y374 HydrophobicContact CB-CE1 3.93Å; N205-Y374 PolarHBondContact ND2-OH 3.32Å
206	G	98.1	Very high	97.6	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-57.1	142.5	-170.8	0	0	0	0	0	113.9	I208 L209 G356 H371	G206-I208 PolarHBondContact O-N 3.47Å; G206-L209 PolarHBondContact O-N 2.85Å; G206-G356 VanDerWaalsContact CA-O 3.23Å; G206-G356 WeakPolarHBondContact CA-O 3.47Å; G206-G356 PolarHBondContact N-O 2.94Å; G206-H371 WeakPolarHBondContact CA-O 3.37Å
207	G	97.8	Very high	97.8	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-59.7	-14.5	178.6	0	0	0	0	0	115.1	L209 K210 T370 H371 H372	G207-L209 PolarHBondContact O-N 3.42Å; G207-L209 VanDerWaalsContact O-N 3.12Å; G207-K210 WeakPolarHBondContact O-CB 3.21Å; G207-K210 PolarHBondContact O-N 2.64Å; G207-K210 VanDerWaalsContact O-N 3.08Å; G207-T370 WeakPolarHBondContact CA-O 3.34Å; G207-H371 PolarHBondContact N-O 3.41Å; G207-H372 VanDerWaalsContact CA-C 3.47Å; G207-H372 WeakPolarHBondContact CA-O 3.4Å
208	I	97.6	Very high	97.8	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.092	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.1	-20.1	174.5	-162.9	63.6	0	0	0	112.9	G206 K210 W358 N363 I369 T406	G206-I208 PolarHBondContact O-N 3.47Å; I208-K210 VanDerWaalsContact C-N 3.3Å; I208-K210 PolarHBondContact O-N 3.12Å; I208-W358 HydrophobicContact CB-CB 3.77Å; I208-W358 HydrophobicContact CB-CG 4.21Å; I208-W358 HydrophobicContact CD1-CG 4.46Å; I208-W358 HydrophobicContact CG1-CB 4.18Å; I208-W358 HydrophobicContact CG1-CG 4.27Å; I208-W358 HydrophobicContact CG2-CB 3.62Å; I208-N363 HydrophobicContact CD1-CB 3.62Å; I208-I369 HydrophobicContact CB-CD1 4.11Å; I208-I369 HydrophobicContact CD1-CD1 4.23Å; I208-T406 WeakPolarHBondContact CD1-O 3.39Å; I208-T406 WeakPolarHBondContact CG1-O 3.16Å
209	L	98.1	Very high	97.9	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-73.8	-18.9	177	-72.6	168.8	0	0	0	113.7	V203 G204 G206 G207 N211 S212 D239 V240 F355 Y373	V203-L209 HydrophobicContact CG1-CD1 4.1Å; G204-L209 WeakPolarHBondContact O-CD1 3.3Å; G206-L209 PolarHBondContact O-N 2.85Å; G207-L209 PolarHBondContact O-N 3.42Å; G207-L209 VanDerWaalsContact O-N 3.12Å; L209-N211 PolarHBondContact O-N 3.48Å; L209-S212 WeakPolarHBondContact O-CB 3.2Å; L209-S212 PolarHBondContact O-N 2.64Å; L209-S212 PolarHBondContact O-OG 2.99Å; L209-D239 WeakPolarHBondContact O-CB 3.24Å; L209-V240 HydrophobicContact CB-CG1 4.17Å; L209-V240 HydrophobicContact CD1-CG1 3.97Å; L209-F355 HydrophobicContact CD2-CB 4.05Å; L209-Y373 HydrophobicContact CD1-CD1 4.06Å
210	K	96.3	Very high	97.9	Very high	86 Å²	86	36.4 Å²	36.4	37%	0.374	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.6	-179.6	-72.3	179	170.7	179.6	0	110.6	G207 I208 S212 T370 Y373	G207-K210 WeakPolarHBondContact O-CB 3.21Å; G207-K210 PolarHBondContact O-N 2.64Å; G207-K210 VanDerWaalsContact O-N 3.08Å; I208-K210 VanDerWaalsContact C-N 3.3Å; I208-K210 PolarHBondContact O-N 3.12Å; K210-S212 PolarHBondContact O-N 2.94Å; K210-T370 VanDerWaalsContact CE-OG1 3.29Å; K210-T370 WeakPolarHBondContact CE-OG1 3.44Å; K210-T370 PolarHBondContact NZ-OG1 3.46Å; K210-Y373 VanDerWaalsContact CE-C 3.46Å; K210-Y373 WeakPolarHBondContact CE-O 3.14Å
211	N	95.1	Very high	97.8	Very high	127 Å²	127	36.5 Å²	36.5	68%	0.679	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	17.9	-176.9	-52.3	-42.6	0	0	0	114.4	L209 R213 D239	L209-N211 PolarHBondContact O-N 3.48Å; N211-R213 VanDerWaalsContact C-N 3.3Å; N211-D239 VanDerWaalsContact C-OD1 3.25Å; N211-D239 VanDerWaalsContact CA-OD1 3.24Å; N211-D239 WeakPolarHBondContact CA-OD1 3.42Å; N211-D239 VanDerWaalsContact N-CG 3.28Å; N211-D239 PolarHBondContact N-OD1 3.34Å; N211-D239 PolarHBondContact N-OD2 2.79Å
212	S	96.8	Very high	97.8	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	19%	0.193	C	C	.	.			trans	-73.1	-22.5	178.2	65.9	0	0	0	0	113	L209 K210 C214 D239 T408 C409	L209-S212 WeakPolarHBondContact O-CB 3.2Å; L209-S212 PolarHBondContact O-N 2.64Å; L209-S212 PolarHBondContact O-OG 2.99Å; K210-S212 PolarHBondContact O-N 2.94Å; S212-C214 PolarHBondContact O-N 3.46Å; S212-C214 VanDerWaalsContact O-N 3.12Å; S212-C214 PolarHBondContact OG-N 3.04Å; S212-D239 PolarHBondContact N-OD1 2.95Å; S212-T408 CarbonylContact O-C 3.54Å; S212-T408 VanDerWaalsContact O-CA 3.27Å; S212-T408 WeakPolarHBondContact O-CA 3.38Å; S212-C409 PolarHBondContact O-N 2.86Å
213	R	97.2	Very high	97.8	Very high	139 Å²	139	40 Å²	40	53%	0.525	20%	0.195	S	C	.	.			trans	56.2	22.2	-174.9	-54.9	-177.5	177.7	-135.6	-0.6	114.1	N211 G215 M238 D239	N211-R213 VanDerWaalsContact C-N 3.3Å; R213-G215 PolarHBondContact O-N 3.41Å; R213-M238 CarbonylContact C-O 3.6Å; R213-M238 VanDerWaalsContact CA-O 3.24Å; R213-M238 WeakPolarHBondContact CA-O 3.48Å; R213-M238 HydrophobicContact CG-CE 4.26Å; R213-M238 HydrophobicContact CG-CG 4.31Å; R213-M238 HydrophobicContact CG-SD 4.32Å; R213-D239 PolarHBondContact N-OD1 3.33Å
214	C	98.2	Very high	97.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.1	-176.6	-70.1	0	0	0	0	114.7	S212 R216 E217 I218 D239 F355 C409	S212-C214 PolarHBondContact O-N 3.46Å; S212-C214 VanDerWaalsContact O-N 3.12Å; S212-C214 PolarHBondContact OG-N 3.04Å; C214-R216 VanDerWaalsContact C-N 3.32Å; C214-R216 PolarHBondContact O-N 2.91Å; C214-E217 PolarHBondContact O-N 3Å; C214-E217 VanDerWaalsContact O-N 3.12Å; C214-I218 HydrophobicContact CB-CD1 4.2Å; C214-I218 WeakPolarHBondContact O-CG1 3.39Å; C214-I218 PolarHBondContact O-N 2.96Å; C214-D239 CarbonylContact C-O 3.44Å; C214-D239 WeakPolarHBondContact CB-O 3.09Å; C214-D239 PolarHBondContact N-O 2.89Å; C214-F355 HydrophobicContact CB-CD1 3.97Å; C214-F355 HydrophobicContact CB-CE1 3.99Å; C214-C409 WeakPolarHBondContact CA-SG 3.48Å; C214-C409 HydrophobicContact CB-CB 3.88Å; C214-C409 WeakPolarHBondContact CB-SG 3.41Å; C214-C409 WeakPolarHBondContact SG-CB 3.41Å; C214-C409 CovalentContact SG-SG 2.04Å; C214-C409 PolarHBondContact SG-SG 2.98Å
215	G	98	Very high	97.8	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-36.7	-173.1	0	0	0	0	0	114.2	R213 N219 M238 D239	R213-G215 PolarHBondContact O-N 3.41Å; G215-N219 WeakPolarHBondContact O-CB 3.39Å; G215-N219 PolarHBondContact O-N 3.1Å; G215-N219 PolarHBondContact O-ND2 3.49Å; G215-M238 WeakPolarHBondContact CA-O 3.28Å; G215-M238 PolarHBondContact N-O 3.23Å; G215-D239 PolarHBondContact N-O 3.35Å; G215-D239 VanDerWaalsContact N-O 3.15Å
216	R	97.4	Very high	97.9	Very high	182 Å²	182	39 Å²	39	69%	0.687	19%	0.188	S	C	*	.	H	α-helix	trans	-65.7	-45.4	174.5	-70.9	-174	-177.5	179.8	1.4	112	C214 I218 N219 S220 C412	C214-R216 VanDerWaalsContact C-N 3.32Å; C214-R216 PolarHBondContact O-N 2.91Å; R216-I218 PolarHBondContact O-N 3.37Å; R216-N219 PolarHBondContact O-N 3.03Å; R216-S220 PolarHBondContact O-N 3.25Å; R216-C412 PolarHBondContact NH1-O 3.36Å; R216-C412 VanDerWaalsContact NH1-O 3.16Å
217	E	97.8	Very high	97.8	Very high	37 Å²	37	38.9 Å²	38.9	17%	0.173	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-41.4	178.9	-170.3	178.8	157.9	0	0	111.2	K199 C214 N219 S220 H353 F355 H405 C409	K199-E217 IonicContact NZ-OE1 3.5Å; C214-E217 PolarHBondContact O-N 3Å; C214-E217 VanDerWaalsContact O-N 3.12Å; E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 3.43Å; E217-S220 WeakPolarHBondContact O-CB 3.4Å; E217-S220 PolarHBondContact O-N 3.26Å; E217-S220 PolarHBondContact O-OG 3.44Å; E217-H353 IonicContact OE1-CE1 3.19Å; E217-H353 PolarHBondContact OE1-CE1 2.81Å; E217-H353 IonicContact OE1-ND1 2.64Å; E217-H353 PolarHBondContact OE1-ND1 2.83Å; E217-F355 HydrophobicContact CB-CZ 4.42Å; E217-F355 HydrophobicContact CG-CZ 4.04Å; E217-H405 IonicContact OE1-CE1 3.55Å; E217-H405 PolarHBondContact OE1-CE1 3.01Å; E217-H405 IonicContact OE1-NE2 3.64Å; E217-H405 PolarHBondContact OE1-NE2 3.08Å; E217-H405 IonicContact OE2-CE1 2.73Å; E217-C409 PolarHBondContact OE2-SG 2.82Å
218	I	98.6	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-46.9	175	-69	164.6	0	0	0	110.6	A201 V203 C214 R216 S220 A221 V224 F355	A201-I218 HydrophobicContact CB-CG2 4.38Å; V203-I218 HydrophobicContact CG1-CD1 4.44Å; V203-I218 HydrophobicContact CG2-CD1 4.16Å; V203-I218 HydrophobicContact CG2-CG1 4.29Å; V203-I218 HydrophobicContact CG2-CG2 3.73Å; C214-I218 HydrophobicContact CB-CD1 4.2Å; C214-I218 WeakPolarHBondContact O-CG1 3.39Å; C214-I218 PolarHBondContact O-N 2.96Å; R216-I218 PolarHBondContact O-N 3.37Å; I218-S220 PolarHBondContact O-N 3.16Å; I218-A221 WeakPolarHBondContact O-CB 3.31Å; I218-A221 PolarHBondContact O-N 3.12Å; I218-V224 HydrophobicContact CG2-CG1 4.03Å; I218-V224 HydrophobicContact CG2-CG2 4.45Å; I218-F355 HydrophobicContact CD1-CB 4.11Å; I218-F355 HydrophobicContact CD1-CD1 4.06Å; I218-F355 HydrophobicContact CD1-CD2 4.36Å; I218-F355 HydrophobicContact CD1-CG 3.93Å; I218-F355 HydrophobicContact CG1-CB 4.38Å; I218-F355 HydrophobicContact CG1-CD1 3.88Å; I218-F355 HydrophobicContact CG1-CD2 3.7Å; I218-F355 HydrophobicContact CG1-CE1 4.01Å; I218-F355 HydrophobicContact CG1-CE2 3.81Å; I218-F355 HydrophobicContact CG1-CG 3.72Å; I218-F355 HydrophobicContact CG1-CZ 3.97Å
219	N	98.2	Very high	97.8	Very high	57 Å²	57	40 Å²	40	31%	0.305	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-24.6	179.5	-72.2	-13.7	0	0	0	113.3	G215 R216 E217 A221 G241 V242 K243	G215-N219 WeakPolarHBondContact O-CB 3.39Å; G215-N219 PolarHBondContact O-N 3.1Å; G215-N219 PolarHBondContact O-ND2 3.49Å; R216-N219 PolarHBondContact O-N 3.03Å; E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 3.43Å; N219-A221 VanDerWaalsContact C-N 3.28Å; N219-A221 PolarHBondContact O-N 3.04Å; N219-G241 WeakPolarHBondContact OD1-CA 3.07Å; N219-V242 PolarHBondContact OD1-N 3.3Å; N219-K243 HydrophobicContact CB-CB 4.39Å; N219-K243 WeakPolarHBondContact O-CD 3.46Å; N219-K243 WeakPolarHBondContact OD1-CB 3.49Å; N219-K243 PolarHBondContact OD1-N 3.41Å
220	S	97.9	Very high	97.7	Very high	72 Å²	72	39.8 Å²	39.8	50%	0.503	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.7	178.8	77	0	0	0	0	114.3	R216 E217 I218	R216-S220 PolarHBondContact O-N 3.25Å; E217-S220 WeakPolarHBondContact O-CB 3.4Å; E217-S220 PolarHBondContact O-N 3.26Å; E217-S220 PolarHBondContact O-OG 3.44Å; I218-S220 PolarHBondContact O-N 3.16Å
221	A	98.4	Very high	97.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	19%	0.188	C	C	.	.	S	Bend	trans	-67.9	150.8	177.7	0	0	0	0	0	111.1	K199 A201 I218 N219 F223 V224 K243	K199-A221 HydrophobicContact CG-CB 4.44Å; A201-A221 HydrophobicContact CB-CB 3.73Å; I218-A221 WeakPolarHBondContact O-CB 3.31Å; I218-A221 PolarHBondContact O-N 3.12Å; N219-A221 VanDerWaalsContact C-N 3.28Å; N219-A221 PolarHBondContact O-N 3.04Å; A221-F223 VanDerWaalsContact C-N 3.3Å; A221-F223 PolarHBondContact O-N 3.26Å; A221-V224 HydrophobicContact CB-CG2 4.2Å; A221-K243 WeakPolarHBondContact O-CE 3.32Å; A221-K243 PolarHBondContact O-NZ 3.44Å
222	D	98.4	Very high	97.7	Very high	69 Å²	69	33 Å²	33	37%	0.369	16%	0.161	S	C	.	.	S	Bend	trans	-67	-36.2	175.6	-61.1	-41.9	0	0	0	111.1	F197 K198 K199 K243	F197-D222 HydrophobicContact CB-CB 4.2Å; F197-D222 HydrophobicContact CD1-CB 4.47Å; K198-D222 WeakPolarHBondContact CA-OD2 3.47Å; K198-D222 WeakPolarHBondContact CB-OD2 3.4Å; K198-D222 PolarHBondContact N-OD2 3.19Å; K199-D222 PolarHBondContact N-OD2 3.28Å; K199-D222 WeakPolarHBondContact O-CB 3.3Å; K199-D222 PolarHBondContact O-N 2.62Å; D222-K243 PolarHBondContact O-NZ 2.82Å
223	F	98.7	Very high	97.5	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.2	-179	-161.2	-83.1	0	0	0	112.1	Y192 F197 K199 C200 A201 A221 F225 D245 V246	Y192-F223 HydrophobicContact CD1-CE2 4.4Å; Y192-F223 AromaticContact CE1-CE2 3.85Å; Y192-F223 HydrophobicContact CE1-CE2 3.85Å; Y192-F223 HydrophobicContact CE1-CZ 4.16Å; Y192-F223 HydrophobicContact CE2-CE2 4.43Å; Y192-F223 AromaticContact CE2-CZ 3.93Å; Y192-F223 HydrophobicContact CE2-CZ 3.93Å; Y192-F223 AromaticContact CZ-CE2 3.87Å; Y192-F223 AromaticContact CZ-CZ 3.71Å; F197-F223 HydrophobicContact CB-CB 4.21Å; F197-F223 HydrophobicContact CD1-CB 3.86Å; F197-F223 AromaticContact CD1-CD2 3.98Å; F197-F223 HydrophobicContact CD1-CD2 3.98Å; F197-F223 HydrophobicContact CD1-CG 4.31Å; F197-F223 HydrophobicContact CD2-CB 3.98Å; F197-F223 HydrophobicContact CD2-CD2 4.12Å; F197-F223 HydrophobicContact CD2-CG 4.08Å; F197-F223 HydrophobicContact CE1-CB 4.22Å; F197-F223 AromaticContact CE1-CD2 3.44Å; F197-F223 HydrophobicContact CE1-CD2 3.44Å; F197-F223 VanDerWaalsContact CE1-CD2 3.44Å; F197-F223 HydrophobicContact CE1-CE2 4.14Å; F197-F223 HydrophobicContact CE1-CG 4.19Å; F197-F223 HydrophobicContact CE2-CB 4.33Å; F197-F223 AromaticContact CE2-CD2 3.6Å; F197-F223 HydrophobicContact CE2-CD2 3.6Å; F197-F223 AromaticContact CE2-CE2 3.93Å; F197-F223 HydrophobicContact CE2-CE2 3.93Å; F197-F223 AromaticContact CE2-CG 3.96Å; F197-F223 HydrophobicContact CE2-CG 3.96Å; F197-F223 HydrophobicContact CG-CB 3.73Å; F197-F223 HydrophobicContact CG-CD2 4.29Å; F197-F223 HydrophobicContact CG-CG 4.26Å; F197-F223 HydrophobicContact CZ-CB 4.44Å; F197-F223 AromaticContact CZ-CD2 3.22Å; F197-F223 HydrophobicContact CZ-CD2 3.22Å; F197-F223 AromaticContact CZ-CE2 3.54Å; F197-F223 HydrophobicContact CZ-CE2 3.54Å; F197-F223 HydrophobicContact CZ-CG 4.02Å; K199-F223 PolarHBondContact O-N 3.47Å; C200-F223 CarbonylContact C-O 3.49Å; C200-F223 VanDerWaalsContact CA-O 3.28Å; C200-F223 WeakPolarHBondContact CA-O 3.38Å; A201-F223 PolarHBondContact N-O 2.79Å; A221-F223 VanDerWaalsContact C-N 3.3Å; A221-F223 PolarHBondContact O-N 3.26Å; F223-F225 HydrophobicContact CD1-CD1 4.44Å; F223-F225 AromaticContact CD1-CD2 3.73Å; F223-F225 HydrophobicContact CD1-CD2 3.73Å; F223-F225 HydrophobicContact CD1-CE1 4.12Å; F223-F225 AromaticContact CD1-CE2 3.34Å; F223-F225 HydrophobicContact CD1-CE2 3.34Å; F223-F225 HydrophobicContact CD1-CG 4.27Å; F223-F225 AromaticContact CD1-CZ 3.56Å; F223-F225 HydrophobicContact CD1-CZ 3.56Å; F223-F225 AromaticContact CE1-CD1 3.89Å; F223-F225 HydrophobicContact CE1-CD1 3.89Å; F223-F225 HydrophobicContact CE1-CD2 4.02Å; F223-F225 AromaticContact CE1-CE1 3.48Å; F223-F225 HydrophobicContact CE1-CE1 3.48Å; F223-F225 VanDerWaalsContact CE1-CE1 3.48Å; F223-F225 AromaticContact CE1-CE2 3.62Å; F223-F225 HydrophobicContact CE1-CE2 3.62Å; F223-F225 HydrophobicContact CE1-CG 4.15Å; F223-F225 AromaticContact CE1-CZ 3.33Å; F223-F225 HydrophobicContact CE1-CZ 3.33Å; F223-F225 HydrophobicContact CG-CE2 4.46Å; F223-F225 HydrophobicContact CZ-CE1 4.41Å; F223-F225 HydrophobicContact CZ-CZ 4.33Å; F223-D245 WeakPolarHBondContact CA-OD2 3.4Å; F223-D245 HydrophobicContact CD1-CB 3.95Å; F223-D245 HydrophobicContact CD2-CB 3.64Å; F223-D245 HydrophobicContact CE1-CB 3.79Å; F223-D245 HydrophobicContact CE2-CB 3.5Å; F223-D245 HydrophobicContact CG-CB 3.9Å; F223-D245 HydrophobicContact CZ-CB 3.6Å; F223-V246 HydrophobicContact CE1-CB 4.18Å; F223-V246 HydrophobicContact CE1-CG2 3.86Å; F223-V246 HydrophobicContact CZ-CB 4.35Å; F223-V246 HydrophobicContact CZ-CG2 3.57Å
224	V	98.9	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118	-176.2	-173.4	0	0	0	0	111.6	A201 V203 I218 A221 R226 K243 D245 V246	A201-V224 HydrophobicContact CB-CG1 4.43Å; A201-V224 HydrophobicContact CB-CG2 4.29Å; A201-V224 WeakPolarHBondContact O-CA 3.43Å; V203-V224 HydrophobicContact CG2-CG1 3.94Å; I218-V224 HydrophobicContact CG2-CG1 4.03Å; I218-V224 HydrophobicContact CG2-CG2 4.45Å; A221-V224 HydrophobicContact CB-CG2 4.2Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; V224-K243 HydrophobicContact CB-CG 4.39Å; V224-K243 VanDerWaalsContact CG1-O 3.29Å; V224-K243 WeakPolarHBondContact CG1-O 3.16Å; V224-K243 HydrophobicContact CG2-CB 4.06Å; V224-K243 HydrophobicContact CG2-CD 3.92Å; V224-K243 HydrophobicContact CG2-CG 3.76Å; V224-D245 PolarHBondContact N-OD2 3.48Å; V224-D245 PolarHBondContact O-N 3.29Å; V224-V246 PolarHBondContact O-N 3.49Å
225	F	98.9	Very high	97.1	Very high	1 Å²	1	45 Å²	45	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.9	171.4	-63.4	-90.9	0	0	0	110.4	C200 A201 V202 V203 F223 V246 L341 A345 L348	C200-F225 HydrophobicContact CB-CE2 4.46Å; A201-F225 PolarHBondContact O-N 3.4Å; V202-F225 HydrophobicContact CB-CB 4.48Å; V202-F225 HydrophobicContact CG1-CB 4.15Å; V202-F225 HydrophobicContact CG2-CB 4.33Å; V202-F225 HydrophobicContact CG2-CD2 4.04Å; V203-F225 PolarHBondContact N-O 2.88Å; F223-F225 HydrophobicContact CD1-CD1 4.44Å; F223-F225 AromaticContact CD1-CD2 3.73Å; F223-F225 HydrophobicContact CD1-CD2 3.73Å; F223-F225 HydrophobicContact CD1-CE1 4.12Å; F223-F225 AromaticContact CD1-CE2 3.34Å; F223-F225 HydrophobicContact CD1-CE2 3.34Å; F223-F225 HydrophobicContact CD1-CG 4.27Å; F223-F225 AromaticContact CD1-CZ 3.56Å; F223-F225 HydrophobicContact CD1-CZ 3.56Å; F223-F225 AromaticContact CE1-CD1 3.89Å; F223-F225 HydrophobicContact CE1-CD1 3.89Å; F223-F225 HydrophobicContact CE1-CD2 4.02Å; F223-F225 AromaticContact CE1-CE1 3.48Å; F223-F225 HydrophobicContact CE1-CE1 3.48Å; F223-F225 VanDerWaalsContact CE1-CE1 3.48Å; F223-F225 AromaticContact CE1-CE2 3.62Å; F223-F225 HydrophobicContact CE1-CE2 3.62Å; F223-F225 HydrophobicContact CE1-CG 4.15Å; F223-F225 AromaticContact CE1-CZ 3.33Å; F223-F225 HydrophobicContact CE1-CZ 3.33Å; F223-F225 HydrophobicContact CG-CE2 4.46Å; F223-F225 HydrophobicContact CZ-CE1 4.41Å; F223-F225 HydrophobicContact CZ-CZ 4.33Å; F225-V246 CarbonylContact C-O 3.48Å; F225-V246 WeakPolarHBondContact CA-O 3.16Å; F225-V246 HydrophobicContact CD1-CB 4.05Å; F225-V246 HydrophobicContact CD1-CG1 4.24Å; F225-V246 HydrophobicContact CE1-CB 4.45Å; F225-L341 HydrophobicContact CB-CB 4.41Å; F225-L341 HydrophobicContact CB-CD1 4.11Å; F225-L341 HydrophobicContact CD1-CD2 4.15Å; F225-A345 HydrophobicContact CD2-CB 4.18Å; F225-A345 HydrophobicContact CE2-CB 3.86Å; F225-L348 HydrophobicContact CZ-CD1 4.26Å
226	R	98.8	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.7	174.9	-63	-168.7	-176	-92	-2.6	112.7	V203 V224 V240 K243 T244 V246 V247 T248	V203-R226 HydrophobicContact CB-CG 4.31Å; V224-R226 HydrophobicContact CG1-CG 4.2Å; R226-V240 VanDerWaalsContact CZ-O 3.29Å; R226-V240 PolarHBondContact NH1-O 3.16Å; R226-V240 PolarHBondContact NH2-O 2.04Å; R226-K243 PolarHBondContact NE-O 2.77Å; R226-K243 VanDerWaalsContact NE-O 3.07Å; R226-K243 PolarHBondContact NH2-O 2.93Å; R226-T244 HydrophobicContact CB-CG2 4.31Å; R226-T244 WeakPolarHBondContact CD-OG1 3.27Å; R226-T244 HydrophobicContact CG-CG2 4.02Å; R226-T244 PolarHBondContact NE-OG1 3.3Å; R226-V246 PolarHBondContact N-O 3.45Å; R226-V247 HydrophobicContact CB-CB 4.34Å; R226-V247 HydrophobicContact CB-CG2 4.03Å; R226-V247 WeakPolarHBondContact O-CA 3.39Å; R226-T248 PolarHBondContact O-N 3.2Å
227	C	97.9	Very high	97	Very high	6 Å²	6	40 Å²	40	4%	0.041	21%	0.212	C	C	.	.			trans	-96.7	120.7	-177	-59.9	0	0	0	0	112.6	V203 N205 P230 T248 T337	V203-C227 PolarHBondContact O-N 3.29Å; N205-C227 PolarHBondContact ND2-O 2.73Å; N205-C227 PolarHBondContact OD1-O 3Å; C227-P230 VanDerWaalsContact O-CD 3.26Å; C227-P230 WeakPolarHBondContact O-CD 3.47Å; C227-T248 WeakPolarHBondContact CA-OG1 3.35Å; C227-T337 HydrophobicContact CB-CG2 4.49Å
228	N	97.5	Very high	97	Very high	35 Å²	35	43.1 Å²	43.1	19%	0.187	23%	0.227	C	C	.	.	S	Bend	trans	65.7	44.8	157	-59.2	-37.1	0	0	0	115.4	T248 N250 I253 T337	N228-T248 CarbonylContact C-O 3.58Å; N228-T248 WeakPolarHBondContact CA-O 3.45Å; N228-T248 PolarHBondContact N-O 3.39Å; N228-T248 PolarHBondContact N-OG1 3.45Å; N228-T248 PolarHBondContact OD1-OG1 3.06Å; N228-T248 VanDerWaalsContact OD1-OG1 3.09Å; N228-N250 PolarHBondContact OD1-N 3.39Å; N228-I253 HydrophobicContact CB-CD1 3.94Å; N228-I253 VanDerWaalsContact O-CD1 3.27Å; N228-I253 WeakPolarHBondContact O-CD1 3.33Å; N228-T337 PolarHBondContact ND2-OG1 3.26Å
229	L	97.1	Very high	97	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.047	23%	0.23	C	C	.	.			trans	47.4	54.6	178.8	-59.2	176.4	0	0	0	114.4	V247 T248 V249 F268 V271 L272 Y275	L229-V247 HydrophobicContact CD2-CG1 3.93Å; L229-V247 HydrophobicContact CD2-CG2 3.81Å; L229-T248 PolarHBondContact N-O 2.91Å; L229-T248 VanDerWaalsContact N-O 3.11Å; L229-V249 HydrophobicContact CD1-CB 4.28Å; L229-V249 HydrophobicContact CD1-CG1 3.65Å; L229-V249 HydrophobicContact CD1-CG2 3.77Å; L229-V249 HydrophobicContact CD2-CG2 3.94Å; L229-V249 HydrophobicContact CG-CB 4.39Å; L229-V249 HydrophobicContact CG-CG1 4.19Å; L229-V249 HydrophobicContact CG-CG2 3.75Å; L229-F268 HydrophobicContact CD1-CE2 3.85Å; L229-V271 HydrophobicContact CB-CG1 4.49Å; L229-V271 HydrophobicContact CD1-CG1 4.39Å; L229-L272 HydrophobicContact CD1-CD2 4.33Å; L229-L272 HydrophobicContact CD2-CD2 3.65Å; L229-Y275 WeakPolarHBondContact CA-OH 3.34Å; L229-Y275 HydrophobicContact CD2-CD2 4.2Å; L229-Y275 HydrophobicContact CD2-CE2 3.65Å; L229-Y275 PolarHBondContact O-OH 3.44Å
230	P	96.8	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.			trans	-77.1	138.8	-176.8	39.3	-35.7	0	0	0	110.4	N205 C227 I232 Y275 Y373 Y374	N205-P230 VanDerWaalsContact OD1-CB 3.23Å; N205-P230 WeakPolarHBondContact OD1-CB 3.39Å; N205-P230 WeakPolarHBondContact OD1-CG 3.49Å; C227-P230 VanDerWaalsContact O-CD 3.26Å; C227-P230 WeakPolarHBondContact O-CD 3.47Å; P230-I232 PolarHBondContact O-N 2.83Å; P230-Y275 WeakPolarHBondContact CD-OH 3.49Å; P230-Y275 VanDerWaalsContact N-OH 3.1Å; P230-Y275 PolarHBondContact O-OH 2.88Å; P230-Y373 HydrophobicContact CB-CE1 4.15Å; P230-Y373 VanDerWaalsContact CB-OH 3.29Å; P230-Y373 WeakPolarHBondContact CB-OH 3.44Å; P230-Y374 HydrophobicContact CB-CD1 4.45Å; P230-Y374 HydrophobicContact CB-CE1 3.74Å
231	P	95.9	Very high	97	Very high	51 Å²	51	37.5 Å²	37.5	33%	0.331	19%	0.192	S	C	.	.			trans	-60.5	123.5	-173	26.2	-36.2	0	0	0	112.8	Y236 Y373 Y374	P231-Y236 HydrophobicContact CB-CD2 4.45Å; P231-Y236 HydrophobicContact CB-CE2 4.35Å; P231-Y236 HydrophobicContact CG-CD2 4.47Å; P231-Y236 HydrophobicContact CG-CE2 4.18Å; P231-Y236 WeakPolarHBondContact O-CD2 3.49Å; P231-Y373 PolarHBondContact O-OH 3.37Å; P231-Y373 VanDerWaalsContact O-OH 3.12Å; P231-Y374 VanDerWaalsContact CD-CD1 3.45Å; P231-Y374 VanDerWaalsContact CG-CB 3.41Å; P231-Y374 HydrophobicContact CG-CD1 3.71Å; P231-Y374 HydrophobicContact CG-CD2 4.02Å; P231-Y374 HydrophobicContact CG-CE1 4.45Å; P231-Y374 HydrophobicContact CG-CG 3.43Å; P231-Y374 VanDerWaalsContact CG-CG 3.43Å
232	I	95.1	Very high	97	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.097	21%	0.212	C	C	.	.			trans	-108.5	90.3	169.9	-54.3	174.9	0	0	0	107.2	P230 T237 G241 V242 V274 Y275	P230-I232 PolarHBondContact O-N 2.83Å; I232-T237 HydrophobicContact CG2-CG2 4.08Å; I232-G241 WeakPolarHBondContact CG2-O 3.22Å; I232-V242 HydrophobicContact CG2-CB 4.37Å; I232-V242 HydrophobicContact CG2-CG1 3.94Å; I232-V274 HydrophobicContact CB-CG1 3.71Å; I232-V274 HydrophobicContact CG1-CG1 4.5Å; I232-V274 WeakPolarHBondContact O-CG1 3.43Å; I232-Y275 HydrophobicContact CD1-CD1 3.89Å; I232-Y275 HydrophobicContact CD1-CE1 3.6Å; I232-Y275 HydrophobicContact CG1-CE1 4.22Å
233	S	92.2	Very high	97	Very high	54 Å²	54	40.8 Å²	40.8	38%	0.378	21%	0.208	S	C	.	.			trans	-117.7	167.3	172.6	65.7	0	0	0	0	109.8	K235 Y236 T237	S233-K235 PolarHBondContact O-N 2.83Å; S233-Y236 PolarHBondContact O-N 3.5Å; S233-Y236 VanDerWaalsContact OG-CD2 3.31Å; S233-Y236 WeakPolarHBondContact OG-CD2 3.11Å; S233-T237 VanDerWaalsContact O-CG2 3.27Å; S233-T237 WeakPolarHBondContact O-CG2 3.46Å; S233-T237 PolarHBondContact O-N 2.88Å
234	E	91.8	Very high	97	Very high	183 Å²	183	41.2 Å²	41.2	86%	0.855	21%	0.212	S	C	*	.	H	α-helix	trans	-45.9	-40.5	-179.7	-67.9	-179.9	175.2	0	0	112.6	Y236 T237	E234-Y236 PolarHBondContact O-N 3.03Å; E234-T237 PolarHBondContact O-N 2.85Å; E234-T237 PolarHBondContact O-OG1 3.38Å; E234-T237 VanDerWaalsContact O-OG1 3.04Å
235	K	94.9	Very high	96.9	Very high	159 Å²	159	43.3 Å²	43.3	69%	0.691	22%	0.223	S	C	*	.	H	α-helix	trans	-54	-33.1	175.3	-178.6	176.1	178.5	178.3	0	114.5	S233	S233-K235 PolarHBondContact O-N 2.83Å
236	Y	97.2	Very high	96.9	Very high	31 Å²	31	43.3 Å²	43.3	12%	0.122	22%	0.223	C	C	.	.	H	α-helix	trans	-108.7	-20.5	-173.4	-55.1	-61.5	0	0	0	113.2	P231 S233 E234 M238 D239 V240 Y373	P231-Y236 HydrophobicContact CB-CD2 4.45Å; P231-Y236 HydrophobicContact CB-CE2 4.35Å; P231-Y236 HydrophobicContact CG-CD2 4.47Å; P231-Y236 HydrophobicContact CG-CE2 4.18Å; P231-Y236 WeakPolarHBondContact O-CD2 3.49Å; S233-Y236 PolarHBondContact O-N 3.5Å; S233-Y236 VanDerWaalsContact OG-CD2 3.31Å; S233-Y236 WeakPolarHBondContact OG-CD2 3.11Å; E234-Y236 PolarHBondContact O-N 3.03Å; Y236-M238 PolarHBondContact O-N 2.85Å; Y236-M238 VanDerWaalsContact O-N 3.12Å; Y236-D239 PolarHBondContact O-N 3.4Å; Y236-V240 WeakPolarHBondContact O-CG2 3.02Å; Y236-V240 PolarHBondContact O-N 3.41Å; Y236-Y373 AromaticContact CD1-CD2 3.66Å; Y236-Y373 HydrophobicContact CD1-CD2 3.66Å; Y236-Y373 AromaticContact CD1-CE2 3.99Å; Y236-Y373 HydrophobicContact CD1-CE2 3.99Å; Y236-Y373 HydrophobicContact CD2-CE2 4.22Å; Y236-Y373 HydrophobicContact CE1-CD2 4.09Å; Y236-Y373 WeakPolarHBondContact CE1-O 3.37Å; Y236-Y373 AromaticContact CG-CD2 3.96Å; Y236-Y373 HydrophobicContact CG-CD2 3.96Å; Y236-Y373 AromaticContact CG-CE2 3.79Å; Y236-Y373 HydrophobicContact CG-CE2 3.79Å
237	T	96.9	Very high	96.9	Very high	49 Å²	49	43.3 Å²	43.3	30%	0.301	22%	0.223	S	C	.	.	H	α-helix	trans	-54.8	-35.7	-173.1	57.4	0	0	0	0	114.2	I232 S233 E234 D239 G241 V242	I232-T237 HydrophobicContact CG2-CG2 4.08Å; S233-T237 VanDerWaalsContact O-CG2 3.27Å; S233-T237 WeakPolarHBondContact O-CG2 3.46Å; S233-T237 PolarHBondContact O-N 2.88Å; E234-T237 PolarHBondContact O-N 2.85Å; E234-T237 PolarHBondContact O-OG1 3.38Å; E234-T237 VanDerWaalsContact O-OG1 3.04Å; T237-D239 PolarHBondContact O-N 3.25Å; T237-G241 VanDerWaalsContact O-CA 3.26Å; T237-G241 WeakPolarHBondContact O-CA 3.41Å; T237-G241 PolarHBondContact O-N 3.33Å; T237-V242 HydrophobicContact CG2-CG1 3.54Å
238	M	97.4	Very high	97	Very high	102 Å²	102	43 Å²	43	50%	0.502	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-34.2	177.4	-171.5	173.6	62.6	0	0	112.2	R213 G215 Y236	R213-M238 CarbonylContact C-O 3.6Å; R213-M238 VanDerWaalsContact CA-O 3.24Å; R213-M238 WeakPolarHBondContact CA-O 3.48Å; R213-M238 HydrophobicContact CG-CE 4.26Å; R213-M238 HydrophobicContact CG-CG 4.31Å; R213-M238 HydrophobicContact CG-SD 4.32Å; G215-M238 WeakPolarHBondContact CA-O 3.28Å; G215-M238 PolarHBondContact N-O 3.23Å; Y236-M238 PolarHBondContact O-N 2.85Å; Y236-M238 VanDerWaalsContact O-N 3.12Å
239	D	98.2	Very high	97	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-89.8	-41	-177.9	-71.6	-27.8	0	0	0	112.6	L209 N211 S212 R213 C214 G215 Y236 T237	L209-D239 WeakPolarHBondContact O-CB 3.24Å; N211-D239 VanDerWaalsContact C-OD1 3.25Å; N211-D239 VanDerWaalsContact CA-OD1 3.24Å; N211-D239 WeakPolarHBondContact CA-OD1 3.42Å; N211-D239 VanDerWaalsContact N-CG 3.28Å; N211-D239 PolarHBondContact N-OD1 3.34Å; N211-D239 PolarHBondContact N-OD2 2.79Å; S212-D239 PolarHBondContact N-OD1 2.95Å; R213-D239 PolarHBondContact N-OD1 3.33Å; C214-D239 CarbonylContact C-O 3.44Å; C214-D239 WeakPolarHBondContact CB-O 3.09Å; C214-D239 PolarHBondContact N-O 2.89Å; G215-D239 PolarHBondContact N-O 3.35Å; G215-D239 VanDerWaalsContact N-O 3.15Å; Y236-D239 PolarHBondContact O-N 3.4Å; T237-D239 PolarHBondContact O-N 3.25Å
240	V	98.1	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-113.7	-5.5	-167.7	-48.3	0	0	0	0	114.4	L209 R226 Y236 Y373	L209-V240 HydrophobicContact CB-CG1 4.17Å; L209-V240 HydrophobicContact CD1-CG1 3.97Å; R226-V240 VanDerWaalsContact CZ-O 3.29Å; R226-V240 PolarHBondContact NH1-O 3.16Å; R226-V240 PolarHBondContact NH2-O 2.04Å; Y236-V240 WeakPolarHBondContact O-CG2 3.02Å; Y236-V240 PolarHBondContact O-N 3.41Å; V240-Y373 HydrophobicContact CG1-CD1 4.15Å; V240-Y373 HydrophobicContact CG1-CD2 4.07Å; V240-Y373 HydrophobicContact CG1-CE1 4.04Å; V240-Y373 HydrophobicContact CG1-CE2 3.96Å; V240-Y373 HydrophobicContact CG1-CG 4.16Å; V240-Y373 HydrophobicContact CG2-CE2 4.3Å
241	G	97.9	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.			trans	69.8	-174.9	-178	0	0	0	0	0	112.6	N219 I232 T237	N219-G241 WeakPolarHBondContact OD1-CA 3.07Å; I232-G241 WeakPolarHBondContact CG2-O 3.22Å; T237-G241 VanDerWaalsContact O-CA 3.26Å; T237-G241 WeakPolarHBondContact O-CA 3.41Å; T237-G241 PolarHBondContact O-N 3.33Å
242	V	97.8	Very high	96.7	Very high	73 Å²	73	42.9 Å²	42.9	44%	0.442	22%	0.221	S	C	.	.	S	Bend	trans	-121.4	-29.4	179.1	-59.9	0	0	0	0	112.7	N219 I232 T237 T244	N219-V242 PolarHBondContact OD1-N 3.3Å; I232-V242 HydrophobicContact CG2-CB 4.37Å; I232-V242 HydrophobicContact CG2-CG1 3.94Å; T237-V242 HydrophobicContact CG2-CG1 3.54Å; V242-T244 PolarHBondContact O-N 3.46Å; V242-T244 PolarHBondContact O-OG1 3.33Å
243	K	98.3	Very high	96.7	Very high	66 Å²	66	43.7 Å²	43.7	29%	0.287	23%	0.225	S	C	.	.			trans	-57.6	131.8	-177.5	-175.7	173.1	176.7	175.3	0	110.2	N219 A221 D222 V224 R226 D245	N219-K243 HydrophobicContact CB-CB 4.39Å; N219-K243 WeakPolarHBondContact O-CD 3.46Å; N219-K243 WeakPolarHBondContact OD1-CB 3.49Å; N219-K243 PolarHBondContact OD1-N 3.41Å; A221-K243 WeakPolarHBondContact O-CE 3.32Å; A221-K243 PolarHBondContact O-NZ 3.44Å; D222-K243 PolarHBondContact O-NZ 2.82Å; V224-K243 HydrophobicContact CB-CG 4.39Å; V224-K243 VanDerWaalsContact CG1-O 3.29Å; V224-K243 WeakPolarHBondContact CG1-O 3.16Å; V224-K243 HydrophobicContact CG2-CB 4.06Å; V224-K243 HydrophobicContact CG2-CD 3.92Å; V224-K243 HydrophobicContact CG2-CG 3.76Å; R226-K243 PolarHBondContact NE-O 2.77Å; R226-K243 VanDerWaalsContact NE-O 3.07Å; R226-K243 PolarHBondContact NH2-O 2.93Å; K243-D245 VanDerWaalsContact CE-OD2 3.28Å; K243-D245 WeakPolarHBondContact CE-OD2 3.22Å
244	T	98.6	Very high	97	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.098	21%	0.207	C	C	.	.			trans	-149	125.1	179.1	-52.1	0	0	0	0	107.9	R226 V242 V247 Y275 A278	R226-T244 HydrophobicContact CB-CG2 4.31Å; R226-T244 WeakPolarHBondContact CD-OG1 3.27Å; R226-T244 HydrophobicContact CG-CG2 4.02Å; R226-T244 PolarHBondContact NE-OG1 3.3Å; V242-T244 PolarHBondContact O-N 3.46Å; V242-T244 PolarHBondContact O-OG1 3.33Å; T244-V247 HydrophobicContact CG2-CB 3.97Å; T244-Y275 HydrophobicContact CG2-CD1 3.76Å; T244-Y275 HydrophobicContact CG2-CG 4.46Å; T244-A278 HydrophobicContact CG2-CB 3.65Å; T244-A278 WeakPolarHBondContact O-CB 3.22Å
245	D	98.5	Very high	97.1	Very high	45 Å²	45	34.8 Å²	34.8	24%	0.241	18%	0.181	C	C	.	.	S	Bend	trans	-106.9	-35.9	175.4	-59.5	-83.4	0	0	0	110.4	F223 V224 K243 A278 S279	F223-D245 WeakPolarHBondContact CA-OD2 3.4Å; F223-D245 HydrophobicContact CD1-CB 3.95Å; F223-D245 HydrophobicContact CD2-CB 3.64Å; F223-D245 HydrophobicContact CE1-CB 3.79Å; F223-D245 HydrophobicContact CE2-CB 3.5Å; F223-D245 HydrophobicContact CG-CB 3.9Å; F223-D245 HydrophobicContact CZ-CB 3.6Å; V224-D245 PolarHBondContact N-OD2 3.48Å; V224-D245 PolarHBondContact O-N 3.29Å; K243-D245 VanDerWaalsContact CE-OD2 3.28Å; K243-D245 WeakPolarHBondContact CE-OD2 3.22Å; D245-A278 WeakPolarHBondContact O-CA 3.42Å; D245-S279 PolarHBondContact O-N 3.48Å
246	V	98.6	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.4	171.5	169.3	0	0	0	0	110	Y192 F223 V224 F225 R226 S279 L281	Y192-V246 HydrophobicContact CE2-CG2 4.22Å; F223-V246 HydrophobicContact CE1-CB 4.18Å; F223-V246 HydrophobicContact CE1-CG2 3.86Å; F223-V246 HydrophobicContact CZ-CB 4.35Å; F223-V246 HydrophobicContact CZ-CG2 3.57Å; V224-V246 PolarHBondContact O-N 3.49Å; F225-V246 CarbonylContact C-O 3.48Å; F225-V246 WeakPolarHBondContact CA-O 3.16Å; F225-V246 HydrophobicContact CD1-CB 4.05Å; F225-V246 HydrophobicContact CD1-CG1 4.24Å; F225-V246 HydrophobicContact CE1-CB 4.45Å; R226-V246 PolarHBondContact N-O 3.45Å; V246-S279 WeakPolarHBondContact CA-O 2.97Å; V246-L281 HydrophobicContact CG1-CB 3.9Å; V246-L281 HydrophobicContact CG1-CD2 3.87Å
247	V	98.7	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	168.4	65	0	0	0	0	110.6	R226 L229 T244 Y275 S279 V280 L281	R226-V247 HydrophobicContact CB-CB 4.34Å; R226-V247 HydrophobicContact CB-CG2 4.03Å; R226-V247 WeakPolarHBondContact O-CA 3.39Å; L229-V247 HydrophobicContact CD2-CG1 3.93Å; L229-V247 HydrophobicContact CD2-CG2 3.81Å; T244-V247 HydrophobicContact CG2-CB 3.97Å; V247-Y275 HydrophobicContact CB-CD1 4.2Å; V247-Y275 HydrophobicContact CB-CE1 4.37Å; V247-Y275 HydrophobicContact CB-CG 4.48Å; V247-Y275 HydrophobicContact CG1-CD1 4.28Å; V247-Y275 HydrophobicContact CG1-CD2 4.29Å; V247-Y275 HydrophobicContact CG1-CG 4.05Å; V247-Y275 HydrophobicContact CG2-CD1 4.25Å; V247-Y275 HydrophobicContact CG2-CE1 3.91Å; V247-S279 PolarHBondContact N-O 3.1Å; V247-V280 WeakPolarHBondContact O-CA 2.99Å; V247-L281 PolarHBondContact O-N 3.15Å
248	T	98.8	Very high	97	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	156.1	175	67.7	0	0	0	0	111.9	R226 C227 N228 L229 L281 F313 T337 L341	R226-T248 PolarHBondContact O-N 3.2Å; C227-T248 WeakPolarHBondContact CA-OG1 3.35Å; N228-T248 CarbonylContact C-O 3.58Å; N228-T248 WeakPolarHBondContact CA-O 3.45Å; N228-T248 PolarHBondContact N-O 3.39Å; N228-T248 PolarHBondContact N-OG1 3.45Å; N228-T248 PolarHBondContact OD1-OG1 3.06Å; N228-T248 VanDerWaalsContact OD1-OG1 3.09Å; L229-T248 PolarHBondContact N-O 2.91Å; L229-T248 VanDerWaalsContact N-O 3.11Å; T248-L281 CarbonylContact C-O 3.54Å; T248-L281 WeakPolarHBondContact CA-O 3.42Å; T248-L281 HydrophobicContact CG2-CB 4.24Å; T248-L281 HydrophobicContact CG2-CD2 4.16Å; T248-L281 HydrophobicContact CG2-CG 4.27Å; T248-F313 HydrophobicContact CG2-CE2 4.3Å; T248-F313 HydrophobicContact CG2-CZ 4.2Å; T248-T337 HydrophobicContact CG2-CG2 3.83Å; T248-T337 VanDerWaalsContact OG1-CG2 3.27Å; T248-T337 WeakPolarHBondContact OG1-CG2 3.45Å; T248-L341 HydrophobicContact CG2-CD1 3.65Å; T248-L341 HydrophobicContact CG2-CD2 3.87Å; T248-L341 HydrophobicContact CG2-CG 4.12Å
249	V	98.1	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	-128.3	116.6	169.9	-166	0	0	0	0	109.3	L229 P251 I254 F268 V280 L281 L282 P283	L229-V249 HydrophobicContact CD1-CB 4.28Å; L229-V249 HydrophobicContact CD1-CG1 3.65Å; L229-V249 HydrophobicContact CD1-CG2 3.77Å; L229-V249 HydrophobicContact CD2-CG2 3.94Å; L229-V249 HydrophobicContact CG-CB 4.39Å; L229-V249 HydrophobicContact CG-CG1 4.19Å; L229-V249 HydrophobicContact CG-CG2 3.75Å; V249-P251 WeakPolarHBondContact O-CD 3.23Å; V249-I254 HydrophobicContact CG1-CD1 3.79Å; V249-I254 HydrophobicContact CG1-CG1 3.73Å; V249-F268 HydrophobicContact CG1-CE2 4.44Å; V249-V280 HydrophobicContact CG2-CG1 3.41Å; V249-V280 VanDerWaalsContact CG2-CG1 3.41Å; V249-L281 PolarHBondContact N-O 3.25Å; V249-L282 HydrophobicContact CB-CD2 3.82Å; V249-L282 HydrophobicContact CB-CG 4.05Å; V249-L282 HydrophobicContact CG1-CD2 4.39Å; V249-L282 HydrophobicContact CG2-CD2 4.42Å; V249-L282 HydrophobicContact CG2-CG 4.41Å; V249-P283 WeakPolarHBondContact O-CD 3.22Å
250	N	95.1	Very high	96.8	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.262	22%	0.216	S	C	.	.			trans	-70.8	127.1	167.9	-175	-26.5	0	0	0	109.1	N228 S252 I253	N228-N250 PolarHBondContact OD1-N 3.39Å; N250-S252 PolarHBondContact O-N 2.89Å; N250-S252 PolarHBondContact OD1-N 3.46Å; N250-S252 PolarHBondContact OD1-OG 2.78Å; N250-I253 HydrophobicContact CB-CD1 4.19Å; N250-I253 HydrophobicContact CB-CG1 4.34Å; N250-I253 WeakPolarHBondContact O-CB 3.47Å; N250-I253 PolarHBondContact O-N 3.4Å
251	P	95.4	Very high	96.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-21.4	179.4	-29.4	39	0	0	0	115.4	V249 I253 I254 T255 P283 N290 V293	V249-P251 WeakPolarHBondContact O-CD 3.23Å; P251-I253 VanDerWaalsContact C-N 3.3Å; P251-I253 PolarHBondContact O-N 3.46Å; P251-I254 PolarHBondContact O-N 2.72Å; P251-T255 WeakPolarHBondContact O-CB 3.44Å; P251-T255 PolarHBondContact O-N 3.03Å; P251-T255 PolarHBondContact O-OG1 3.42Å; P251-P283 HydrophobicContact CG-CG 4.09Å; P251-N290 HydrophobicContact CB-CB 4.27Å; P251-N290 HydrophobicContact CG-CB 4.1Å; P251-V293 HydrophobicContact CB-CG1 4.36Å
252	S	93.7	Very high	96.6	Very high	41 Å²	41	49.5 Å²	49.5	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-34.8	172.3	69.2	0	0	0	0	112.3	N250 I254 T255 E256	N250-S252 PolarHBondContact O-N 2.89Å; N250-S252 PolarHBondContact OD1-N 3.46Å; N250-S252 PolarHBondContact OD1-OG 2.78Å; S252-I254 VanDerWaalsContact C-N 3.3Å; S252-I254 PolarHBondContact O-N 2.88Å; S252-T255 PolarHBondContact O-N 3.48Å; S252-E256 VanDerWaalsContact O-CB 3.26Å; S252-E256 WeakPolarHBondContact O-CB 3.36Å; S252-E256 VanDerWaalsContact O-CG 3.32Å; S252-E256 WeakPolarHBondContact O-CG 2.97Å; S252-E256 PolarHBondContact O-N 3.34Å
253	I	95.2	Very high	96.3	Very high	36 Å²	36	54.1 Å²	54.1	19%	0.185	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-45.8	175.9	-62.9	170.3	0	0	0	109.6	N228 N250 P251 T255 R257 F258	N228-I253 HydrophobicContact CB-CD1 3.94Å; N228-I253 VanDerWaalsContact O-CD1 3.27Å; N228-I253 WeakPolarHBondContact O-CD1 3.33Å; N250-I253 HydrophobicContact CB-CD1 4.19Å; N250-I253 HydrophobicContact CB-CG1 4.34Å; N250-I253 WeakPolarHBondContact O-CB 3.47Å; N250-I253 PolarHBondContact O-N 3.4Å; P251-I253 VanDerWaalsContact C-N 3.3Å; P251-I253 PolarHBondContact O-N 3.46Å; I253-T255 VanDerWaalsContact C-N 3.35Å; I253-R257 WeakPolarHBondContact O-CA 3.15Å; I253-R257 WeakPolarHBondContact O-CB 3.12Å; I253-R257 PolarHBondContact O-N 3.44Å; I253-F258 HydrophobicContact CG2-CD2 4.32Å; I253-F258 HydrophobicContact CG2-CE2 3.96Å
254	I	97.1	Very high	96	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-42.7	-179.8	-54.4	164.6	0	0	0	110.3	V249 P251 S252 F258 H259 K260 L261 F268 L282 V293 V297	V249-I254 HydrophobicContact CG1-CD1 3.79Å; V249-I254 HydrophobicContact CG1-CG1 3.73Å; P251-I254 PolarHBondContact O-N 2.72Å; S252-I254 VanDerWaalsContact C-N 3.3Å; S252-I254 PolarHBondContact O-N 2.88Å; I254-F258 CarbonylContact O-C 3.48Å; I254-F258 VanDerWaalsContact O-C 3.24Å; I254-F258 WeakPolarHBondContact O-CA 3.46Å; I254-F258 WeakPolarHBondContact O-CB 3.01Å; I254-F258 PolarHBondContact O-N 3.27Å; I254-H259 PolarHBondContact O-N 3.37Å; I254-K260 PolarHBondContact O-N 3.19Å; I254-L261 HydrophobicContact CG2-CD1 3.45Å; I254-L261 VanDerWaalsContact CG2-CD1 3.45Å; I254-L261 HydrophobicContact CG2-CD2 4.42Å; I254-L261 HydrophobicContact CG2-CG 3.51Å; I254-F268 HydrophobicContact CG1-CE2 4.18Å; I254-L282 HydrophobicContact CD1-CD2 3.64Å; I254-V293 HydrophobicContact CB-CG1 3.49Å; I254-V293 VanDerWaalsContact CB-CG1 3.49Å; I254-V293 HydrophobicContact CD1-CG1 3.94Å; I254-V293 HydrophobicContact CG1-CG1 4.34Å; I254-V293 HydrophobicContact CG2-CG1 3.41Å; I254-V293 VanDerWaalsContact CG2-CG1 3.41Å; I254-V297 HydrophobicContact CD1-CG2 3.37Å; I254-V297 HydrophobicContact CG1-CG2 4.23Å
255	T	95.6	Very high	95.9	Very high	51 Å²	51	64 Å²	64	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-50.6	-179.5	-59.5	0	0	0	0	112	P251 S252 I253 H259 K260	P251-T255 WeakPolarHBondContact O-CB 3.44Å; P251-T255 PolarHBondContact O-N 3.03Å; P251-T255 PolarHBondContact O-OG1 3.42Å; S252-T255 PolarHBondContact O-N 3.48Å; I253-T255 VanDerWaalsContact C-N 3.35Å; T255-H259 WeakPolarHBondContact O-CA 3.2Å; T255-H259 PolarHBondContact O-N 3.15Å; T255-K260 HydrophobicContact CG2-CG 3.96Å
256	E	94.3	Very high	95.8	Very high	148 Å²	148	68.6 Å²	68.6	69%	0.692	30%	0.302	S	S	*	.	H	α-helix	trans	-84	-44.4	-169.7	-65.5	168.7	-167.7	0	0	112	S252	S252-E256 VanDerWaalsContact O-CB 3.26Å; S252-E256 WeakPolarHBondContact O-CB 3.36Å; S252-E256 VanDerWaalsContact O-CG 3.32Å; S252-E256 WeakPolarHBondContact O-CG 2.97Å; S252-E256 PolarHBondContact O-N 3.34Å
257	R	95.2	Very high	95.8	Very high	154 Å²	154	71.8 Å²	71.8	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-89.1	-29	-175.2	-171.9	177.6	176.1	-170	-0.2	113.3	I253	I253-R257 WeakPolarHBondContact O-CA 3.15Å; I253-R257 WeakPolarHBondContact O-CB 3.12Å; I253-R257 PolarHBondContact O-N 3.44Å
258	F	96.9	Very high	95.7	Very high	17 Å²	17	71.8 Å²	71.8	8%	0.075	32%	0.322	C	S	.	.	S	Bend	trans	-122	18.4	-173.1	-56.5	-74.8	0	0	0	113.1	I253 I254 K260 L261 P267 F268 V271	I253-F258 HydrophobicContact CG2-CD2 4.32Å; I253-F258 HydrophobicContact CG2-CE2 3.96Å; I254-F258 CarbonylContact O-C 3.48Å; I254-F258 VanDerWaalsContact O-C 3.24Å; I254-F258 WeakPolarHBondContact O-CA 3.46Å; I254-F258 WeakPolarHBondContact O-CB 3.01Å; I254-F258 PolarHBondContact O-N 3.27Å; F258-K260 PolarHBondContact O-N 3.41Å; F258-K260 VanDerWaalsContact O-N 3.15Å; F258-L261 HydrophobicContact CB-CD2 3.77Å; F258-L261 HydrophobicContact CB-CG 4.49Å; F258-L261 PolarHBondContact O-N 3.26Å; F258-P267 HydrophobicContact CD1-CB 4.39Å; F258-P267 HydrophobicContact CE1-CB 4.27Å; F258-F268 HydrophobicContact CB-CB 4.41Å; F258-F268 HydrophobicContact CD1-CB 3.73Å; F258-F268 HydrophobicContact CD2-CB 4.35Å; F258-F268 AromaticContact CD2-CD2 3.65Å; F258-F268 HydrophobicContact CD2-CD2 3.65Å; F258-F268 HydrophobicContact CD2-CE2 4.5Å; F258-F268 HydrophobicContact CD2-CG 4.43Å; F258-F268 HydrophobicContact CE1-CB 3.99Å; F258-F268 AromaticContact CE2-CD2 3.68Å; F258-F268 HydrophobicContact CE2-CD2 3.68Å; F258-F268 HydrophobicContact CE2-CE2 4.48Å; F258-F268 HydrophobicContact CG-CB 3.91Å; F258-F268 HydrophobicContact CG-CD2 4.07Å; F258-F268 HydrophobicContact CG-CG 4.42Å; F258-F268 HydrophobicContact CZ-CB 4.4Å; F258-F268 HydrophobicContact CZ-CD2 4.14Å; F258-V271 HydrophobicContact CZ-CG2 4.04Å
259	H	95.8	Very high	95.7	Very high	145 Å²	145	73.5 Å²	73.5	67%	0.671	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	48	46.3	175.1	-54	-65.8	0	0	0	112.9	I254 T255 L261 E262	I254-H259 PolarHBondContact O-N 3.37Å; T255-H259 WeakPolarHBondContact O-CA 3.2Å; T255-H259 PolarHBondContact O-N 3.15Å; H259-L261 PolarHBondContact O-N 3.47Å; H259-E262 PolarHBondContact O-N 3.29Å
260	K	96	Very high	95.6	Very high	90 Å²	90	81.8 Å²	81.8	39%	0.391	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	59	13.8	179.6	-49.9	171	-177.4	173.3	0	115.1	I254 T255 F258 E262 V293 R296	I254-K260 PolarHBondContact O-N 3.19Å; T255-K260 HydrophobicContact CG2-CG 3.96Å; F258-K260 PolarHBondContact O-N 3.41Å; F258-K260 VanDerWaalsContact O-N 3.15Å; K260-E262 HydrophobicContact CB-CG 4.09Å; K260-E262 WeakPolarHBondContact CD-OE1 3.43Å; K260-E262 PolarHBondContact O-N 2.86Å; K260-V293 HydrophobicContact CB-CG2 4.32Å; K260-V293 HydrophobicContact CG-CG2 4.4Å; K260-R296 WeakPolarHBondContact O-CD 3.22Å; K260-R296 PolarHBondContact O-NH1 3Å
261	L	96.6	Very high	95.7	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	59.4	28.5	-176.6	-54.9	169	0	0	0	114	I254 F258 H259 K263 R265 F268 R296 V297 V300	I254-L261 HydrophobicContact CG2-CD1 3.45Å; I254-L261 VanDerWaalsContact CG2-CD1 3.45Å; I254-L261 HydrophobicContact CG2-CD2 4.42Å; I254-L261 HydrophobicContact CG2-CG 3.51Å; F258-L261 HydrophobicContact CB-CD2 3.77Å; F258-L261 HydrophobicContact CB-CG 4.49Å; F258-L261 PolarHBondContact O-N 3.26Å; H259-L261 PolarHBondContact O-N 3.47Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-R265 HydrophobicContact CB-CG 4.41Å; L261-R265 PolarHBondContact O-NE 3.18Å; L261-F268 HydrophobicContact CD1-CD1 4.02Å; L261-F268 HydrophobicContact CD1-CE1 4.22Å; L261-F268 HydrophobicContact CD1-CG 4.36Å; L261-F268 HydrophobicContact CD2-CB 3.54Å; L261-F268 HydrophobicContact CD2-CD1 4.07Å; L261-F268 HydrophobicContact CD2-CG 3.8Å; L261-R296 HydrophobicContact CB-CB 4.31Å; L261-R296 HydrophobicContact CD1-CB 4.46Å; L261-V297 HydrophobicContact CD1-CG2 3.84Å; L261-V300 HydrophobicContact CB-CG2 4.29Å; L261-V300 HydrophobicContact CD1-CG2 3.83Å; L261-V300 HydrophobicContact CD2-CG2 4.33Å; L261-V300 HydrophobicContact CG-CG2 4.36Å
262	E	94.3	Very high	95.7	Very high	107 Å²	107	80.8 Å²	80.8	50%	0.5	36%	0.356	S	S	.	.	S	Bend	trans	-77.2	-21.2	178.1	-69.8	175.9	177.1	0	0	112.9	H259 K260 R296	H259-E262 PolarHBondContact O-N 3.29Å; K260-E262 HydrophobicContact CB-CG 4.09Å; K260-E262 WeakPolarHBondContact CD-OE1 3.43Å; K260-E262 PolarHBondContact O-N 2.86Å; E262-R296 IonicContact OE1-CZ 3.69Å; E262-R296 IonicContact OE1-NH1 2.68Å; E262-R296 PolarHBondContact OE1-NH1 3.25Å; E262-R296 IonicContact OE1-NH2 2.65Å; E262-R296 PolarHBondContact OE1-NH2 3.17Å
263	K	91.1	Very high	95.8	Very high	170 Å²	170	82.8 Å²	82.8	74%	0.739	36%	0.361	S	S	*	.	S	Bend	trans	-127.7	-107.8	-177.2	-60.3	-175.9	-179.2	-177.8	0	110.9	L261 R265	L261-K263 VanDerWaalsContact C-N 3.33Å; K263-R265 PolarHBondContact O-N 2.93Å; K263-R265 VanDerWaalsContact O-N 3.1Å
264	W	92.7	Very high	95.9	Very high	221 Å²	221	84.3 Å²	84.3	84%	0.837	37%	0.371	S	S	*	.			trans	-69.6	104.6	-175.1	-55.8	92	0	0	0	111.6
265	R	96.6	Very high	95.9	Very high	67 Å²	67	84.5 Å²	84.5	25%	0.253	37%	0.372	S	S	.	.			trans	-88.8	-29.5	-177.7	-68.8	166.5	176.5	-164.2	7.4	113.9	L261 K263 P267 F268 Y269 V300 D303 F304	L261-R265 HydrophobicContact CB-CG 4.41Å; L261-R265 PolarHBondContact O-NE 3.18Å; K263-R265 PolarHBondContact O-N 2.93Å; K263-R265 VanDerWaalsContact O-N 3.1Å; R265-P267 VanDerWaalsContact C-CD 3.46Å; R265-F268 PolarHBondContact O-N 2.82Å; R265-F268 VanDerWaalsContact O-N 3.12Å; R265-Y269 PolarHBondContact O-N 2.84Å; R265-V300 HydrophobicContact CB-CG1 4.12Å; R265-V300 HydrophobicContact CB-CG2 3.81Å; R265-V300 HydrophobicContact CG-CG2 3.63Å; R265-D303 IonicContact CZ-OD2 3.08Å; R265-D303 IonicContact NH1-OD2 3.33Å; R265-D303 PolarHBondContact NH1-OD2 3.34Å; R265-F304 HydrophobicContact CB-CE2 4.02Å
266	R	97.2	Very high	95.7	Very high	143 Å²	143	88.9 Å²	88.9	54%	0.54	39%	0.389	S	S	.	.	H	α-helix	trans	-54.4	-39.8	-176.3	-168.1	178.5	-70.6	-92.7	4.4	114.5	F268 Y269 R270 F304	R266-F268 VanDerWaalsContact C-N 3.32Å; R266-F268 PolarHBondContact O-N 2.97Å; R266-Y269 PolarHBondContact O-N 3.47Å; R266-R270 WeakPolarHBondContact O-CG 3.36Å; R266-R270 PolarHBondContact O-N 3.35Å; R266-F304 HydrophobicContact CB-CE1 4.47Å; R266-F304 HydrophobicContact CB-CZ 3.86Å; R266-F304 HydrophobicContact CG-CE1 4.43Å; R266-F304 HydrophobicContact CG-CZ 4.27Å
267	P	97.2	Very high	95.7	Very high	66 Å²	66	87.5 Å²	87.5	43%	0.429	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-37.8	178.1	-25.6	36.1	0	0	0	113.7	F258 R265 V271	F258-P267 HydrophobicContact CD1-CB 4.39Å; F258-P267 HydrophobicContact CE1-CB 4.27Å; R265-P267 VanDerWaalsContact C-CD 3.46Å; P267-V271 PolarHBondContact O-N 2.85Å
268	F	97.7	Very high	95.8	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-45.8	175.9	174.3	-102.6	0	0	0	111	L229 V249 I254 F258 L261 R265 R266 R270 V271 L272 V297 V300	L229-F268 HydrophobicContact CD1-CE2 3.85Å; V249-F268 HydrophobicContact CG1-CE2 4.44Å; I254-F268 HydrophobicContact CG1-CE2 4.18Å; F258-F268 HydrophobicContact CB-CB 4.41Å; F258-F268 HydrophobicContact CD1-CB 3.73Å; F258-F268 HydrophobicContact CD2-CB 4.35Å; F258-F268 AromaticContact CD2-CD2 3.65Å; F258-F268 HydrophobicContact CD2-CD2 3.65Å; F258-F268 HydrophobicContact CD2-CE2 4.5Å; F258-F268 HydrophobicContact CD2-CG 4.43Å; F258-F268 HydrophobicContact CE1-CB 3.99Å; F258-F268 AromaticContact CE2-CD2 3.68Å; F258-F268 HydrophobicContact CE2-CD2 3.68Å; F258-F268 HydrophobicContact CE2-CE2 4.48Å; F258-F268 HydrophobicContact CG-CB 3.91Å; F258-F268 HydrophobicContact CG-CD2 4.07Å; F258-F268 HydrophobicContact CG-CG 4.42Å; F258-F268 HydrophobicContact CZ-CB 4.4Å; F258-F268 HydrophobicContact CZ-CD2 4.14Å; L261-F268 HydrophobicContact CD1-CD1 4.02Å; L261-F268 HydrophobicContact CD1-CE1 4.22Å; L261-F268 HydrophobicContact CD1-CG 4.36Å; L261-F268 HydrophobicContact CD2-CB 3.54Å; L261-F268 HydrophobicContact CD2-CD1 4.07Å; L261-F268 HydrophobicContact CD2-CG 3.8Å; R265-F268 PolarHBondContact O-N 2.82Å; R265-F268 VanDerWaalsContact O-N 3.12Å; R266-F268 VanDerWaalsContact C-N 3.32Å; R266-F268 PolarHBondContact O-N 2.97Å; F268-R270 VanDerWaalsContact C-N 3.3Å; F268-R270 PolarHBondContact O-N 3.33Å; F268-V271 WeakPolarHBondContact O-CB 3.19Å; F268-V271 PolarHBondContact O-N 2.87Å; F268-L272 HydrophobicContact CD1-CD1 4.17Å; F268-L272 HydrophobicContact CE1-CD1 3.5Å; F268-L272 HydrophobicContact CE1-CG 4.09Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 HydrophobicContact CZ-CD2 4.19Å; F268-L272 HydrophobicContact CZ-CG 4.13Å; F268-L272 PolarHBondContact O-N 3.01Å; F268-V297 HydrophobicContact CE1-CB 4.29Å; F268-V297 HydrophobicContact CE1-CG1 3.84Å; F268-V297 HydrophobicContact CE1-CG2 3.85Å; F268-V297 HydrophobicContact CZ-CB 4.44Å; F268-V297 HydrophobicContact CZ-CG1 3.96Å; F268-V297 HydrophobicContact CZ-CG2 3.71Å; F268-V300 HydrophobicContact CD1-CB 4.49Å; F268-V300 HydrophobicContact CD1-CG1 4.11Å
269	Y	97.3	Very high	95.9	Very high	38 Å²	38	80.1 Å²	80.1	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-42.7	176.4	179.3	-111.1	0	0	0	112.3	R265 R266 V271 L272 Q273 F304	R265-Y269 PolarHBondContact O-N 2.84Å; R266-Y269 PolarHBondContact O-N 3.47Å; Y269-V271 VanDerWaalsContact C-N 3.26Å; Y269-V271 PolarHBondContact O-N 3.08Å; Y269-L272 WeakPolarHBondContact O-CB 3.4Å; Y269-L272 PolarHBondContact O-N 3.29Å; Y269-Q273 HydrophobicContact CD1-CG 4.46Å; Y269-Q273 HydrophobicContact CE1-CG 4.17Å; Y269-Q273 WeakPolarHBondContact O-CG 3.19Å; Y269-Q273 PolarHBondContact O-N 3.25Å; Y269-Q273 PolarHBondContact OH-NE2 3.25Å; Y269-F304 HydrophobicContact CD1-CB 4.03Å; Y269-F304 HydrophobicContact CD1-CD1 4.11Å; Y269-F304 HydrophobicContact CD1-CD2 4.04Å; Y269-F304 AromaticContact CD1-CG 3.8Å; Y269-F304 HydrophobicContact CD1-CG 3.8Å; Y269-F304 HydrophobicContact CD2-CB 3.87Å; Y269-F304 HydrophobicContact CD2-CD2 4.03Å; Y269-F304 HydrophobicContact CD2-CG 4.14Å; Y269-F304 HydrophobicContact CE1-CB 3.84Å; Y269-F304 HydrophobicContact CE1-CD1 4.32Å; Y269-F304 HydrophobicContact CE1-CG 4.06Å; Y269-F304 HydrophobicContact CE2-CB 3.68Å; Y269-F304 HydrophobicContact CE2-CG 4.39Å; Y269-F304 HydrophobicContact CG-CB 4.04Å; Y269-F304 AromaticContact CG-CD2 3.66Å; Y269-F304 HydrophobicContact CG-CD2 3.66Å; Y269-F304 HydrophobicContact CG-CE2 4.29Å; Y269-F304 AromaticContact CG-CG 3.83Å; Y269-F304 HydrophobicContact CG-CG 3.83Å
270	R	96.5	Very high	96	Very high	173 Å²	173	73.2 Å²	73.2	65%	0.653	33%	0.328	S	S	*	.	H	α-helix	trans	-59.2	-33.7	175	-75.2	-175.5	179.2	-173.9	0.7	113.5	R266 F268 L272 Q273	R266-R270 WeakPolarHBondContact O-CG 3.36Å; R266-R270 PolarHBondContact O-N 3.35Å; F268-R270 VanDerWaalsContact C-N 3.3Å; F268-R270 PolarHBondContact O-N 3.33Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-Q273 PolarHBondContact O-N 2.97Å
271	V	96.8	Very high	96.1	Very high	29 Å²	29	69 Å²	69	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-35.9	174.9	170.4	0	0	0	0	111.1	L229 F258 P267 F268 Y269 Q273 V274 Y275	L229-V271 HydrophobicContact CB-CG1 4.49Å; L229-V271 HydrophobicContact CD1-CG1 4.39Å; F258-V271 HydrophobicContact CZ-CG2 4.04Å; P267-V271 PolarHBondContact O-N 2.85Å; F268-V271 WeakPolarHBondContact O-CB 3.19Å; F268-V271 PolarHBondContact O-N 2.87Å; Y269-V271 VanDerWaalsContact C-N 3.26Å; Y269-V271 PolarHBondContact O-N 3.08Å; V271-Q273 VanDerWaalsContact C-N 3.3Å; V271-Q273 PolarHBondContact O-N 2Å; V271-V274 WeakPolarHBondContact O-CB 3.33Å; V271-V274 PolarHBondContact O-N 3.01Å; V271-Y275 WeakPolarHBondContact O-CE2 3.43Å
272	L	97.2	Very high	96.2	Very high	0 Å²	0	69 Å²	69	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-29.3	177	-66.7	-179.3	0	0	0	113.1	L229 F268 Y269 R270 V274 Y275 V280 L301	L229-L272 HydrophobicContact CD1-CD2 4.33Å; L229-L272 HydrophobicContact CD2-CD2 3.65Å; F268-L272 HydrophobicContact CD1-CD1 4.17Å; F268-L272 HydrophobicContact CE1-CD1 3.5Å; F268-L272 HydrophobicContact CE1-CG 4.09Å; F268-L272 HydrophobicContact CZ-CD1 3.9Å; F268-L272 HydrophobicContact CZ-CD2 4.19Å; F268-L272 HydrophobicContact CZ-CG 4.13Å; F268-L272 PolarHBondContact O-N 3.01Å; Y269-L272 WeakPolarHBondContact O-CB 3.4Å; Y269-L272 PolarHBondContact O-N 3.29Å; R270-L272 VanDerWaalsContact C-N 3.35Å; L272-V274 PolarHBondContact O-N 2.9Å; L272-V274 VanDerWaalsContact O-N 3.16Å; L272-Y275 PolarHBondContact O-N 2.77Å; L272-V280 HydrophobicContact CD1-CG2 4.33Å; L272-V280 HydrophobicContact CD2-CG1 4.42Å; L272-V280 HydrophobicContact CD2-CG2 3.98Å; L272-L301 HydrophobicContact CD1-CD1 3.69Å; L272-L301 HydrophobicContact CD1-CG 4.26Å
273	Q	95.8	Very high	96.4	Very high	84 Å²	84	64.5 Å²	64.5	39%	0.393	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62.4	-22.3	179.3	-62.3	-48.7	-76.1	0	0	113.7	Y269 R270 V271 Y275 E276	Y269-Q273 HydrophobicContact CD1-CG 4.46Å; Y269-Q273 HydrophobicContact CE1-CG 4.17Å; Y269-Q273 WeakPolarHBondContact O-CG 3.19Å; Y269-Q273 PolarHBondContact O-N 3.25Å; Y269-Q273 PolarHBondContact OH-NE2 3.25Å; R270-Q273 PolarHBondContact O-N 2.97Å; V271-Q273 VanDerWaalsContact C-N 3.3Å; V271-Q273 PolarHBondContact O-N 2Å; Q273-Y275 PolarHBondContact O-N 2.88Å; Q273-E276 PolarHBondContact O-N 3.23Å
274	V	95.6	Very high	96.6	Very high	67 Å²	67	56.4 Å²	56.4	41%	0.406	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.9	174.4	177.6	0	0	0	0	112	I232 V271 L272	I232-V274 HydrophobicContact CB-CG1 3.71Å; I232-V274 HydrophobicContact CG1-CG1 4.5Å; I232-V274 WeakPolarHBondContact O-CG1 3.43Å; V271-V274 WeakPolarHBondContact O-CB 3.33Å; V271-V274 PolarHBondContact O-N 3.01Å; L272-V274 PolarHBondContact O-N 2.9Å; L272-V274 VanDerWaalsContact O-N 3.16Å
275	Y	97	Very high	96.8	Very high	5 Å²	5	46 Å²	46	2%	0.02	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-102.6	15.5	-178.8	-51.2	-85.5	0	0	0	112.8	L229 P230 I232 T244 V247 V271 L272 Q273 N277 A278	L229-Y275 WeakPolarHBondContact CA-OH 3.34Å; L229-Y275 HydrophobicContact CD2-CD2 4.2Å; L229-Y275 HydrophobicContact CD2-CE2 3.65Å; L229-Y275 PolarHBondContact O-OH 3.44Å; P230-Y275 WeakPolarHBondContact CD-OH 3.49Å; P230-Y275 VanDerWaalsContact N-OH 3.1Å; P230-Y275 PolarHBondContact O-OH 2.88Å; I232-Y275 HydrophobicContact CD1-CD1 3.89Å; I232-Y275 HydrophobicContact CD1-CE1 3.6Å; I232-Y275 HydrophobicContact CG1-CE1 4.22Å; T244-Y275 HydrophobicContact CG2-CD1 3.76Å; T244-Y275 HydrophobicContact CG2-CG 4.46Å; V247-Y275 HydrophobicContact CB-CD1 4.2Å; V247-Y275 HydrophobicContact CB-CE1 4.37Å; V247-Y275 HydrophobicContact CB-CG 4.48Å; V247-Y275 HydrophobicContact CG1-CD1 4.28Å; V247-Y275 HydrophobicContact CG1-CD2 4.29Å; V247-Y275 HydrophobicContact CG1-CG 4.05Å; V247-Y275 HydrophobicContact CG2-CD1 4.25Å; V247-Y275 HydrophobicContact CG2-CE1 3.91Å; V271-Y275 WeakPolarHBondContact O-CE2 3.43Å; L272-Y275 PolarHBondContact O-N 2.77Å; Q273-Y275 PolarHBondContact O-N 2.88Å; Y275-N277 PolarHBondContact O-N 3.08Å; Y275-N277 VanDerWaalsContact O-N 3.14Å; Y275-A278 WeakPolarHBondContact O-CB 3.41Å; Y275-A278 PolarHBondContact O-N 3.35Å
276	E	93.2	Very high	96.6	Very high	142 Å²	142	44 Å²	44	66%	0.664	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	-118.1	177.1	-58.7	179	-179.5	0	0	112	Q273 Q308	Q273-E276 PolarHBondContact O-N 3.23Å; E276-Q308 WeakPolarHBondContact O-CG 3.45Å; E276-Q308 PolarHBondContact O-NE2 3.47Å
277	N	93.6	Very high	96.4	Very high	120 Å²	120	38.3 Å²	38.3	64%	0.642	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	10.9	-177.7	-63.1	-37.5	0	0	0	113.7	Y275	Y275-N277 PolarHBondContact O-N 3.08Å; Y275-N277 VanDerWaalsContact O-N 3.14Å
278	A	97.8	Very high	96	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-58.8	141.8	-179.5	0	0	0	0	0	111.5	T244 D245 Y275 Q308	T244-A278 HydrophobicContact CG2-CB 3.65Å; T244-A278 WeakPolarHBondContact O-CB 3.22Å; D245-A278 WeakPolarHBondContact O-CA 3.42Å; Y275-A278 WeakPolarHBondContact O-CB 3.41Å; Y275-A278 PolarHBondContact O-N 3.35Å; A278-Q308 WeakPolarHBondContact O-CG 3.48Å; A278-Q308 PolarHBondContact O-NE2 2.86Å
279	S	98.2	Very high	95.6	Very high	12 Å²	12	48 Å²	48	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.2	173.3	-61.6	0	0	0	0	110.9	D245 V246 V247 A309 Y311	D245-S279 PolarHBondContact O-N 3.48Å; V246-S279 WeakPolarHBondContact CA-O 2.97Å; V247-S279 PolarHBondContact N-O 3.1Å; S279-A309 CarbonylContact C-O 3.24Å; S279-A309 WeakPolarHBondContact CA-O 3.26Å; S279-Y311 WeakPolarHBondContact OG-CE2 3.22Å
280	V	98.5	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121	179.3	-171.7	0	0	0	0	109.4	V247 V249 L272 L282 V297 A309 V310 Y311	V247-V280 WeakPolarHBondContact O-CA 2.99Å; V249-V280 HydrophobicContact CG2-CG1 3.41Å; V249-V280 VanDerWaalsContact CG2-CG1 3.41Å; L272-V280 HydrophobicContact CD1-CG2 4.33Å; L272-V280 HydrophobicContact CD2-CG1 4.42Å; L272-V280 HydrophobicContact CD2-CG2 3.98Å; V280-L282 HydrophobicContact CG1-CD1 3.83Å; V280-V297 HydrophobicContact CG1-CG1 4.26Å; V280-A309 PolarHBondContact N-O 2.99Å; V280-V310 CarbonylContact O-C 3.43Å; V280-V310 WeakPolarHBondContact O-CA 3.41Å; V280-Y311 PolarHBondContact O-N 3.15Å
281	L	98.6	Very high	95.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	-174.1	177.4	56.8	0	0	0	112.3	F154 V246 V247 T248 V249 Y311 F313 L341	F154-L281 HydrophobicContact CD1-CD1 3.65Å; F154-L281 HydrophobicContact CD1-CD2 4.49Å; F154-L281 HydrophobicContact CE1-CD1 3.51Å; F154-L281 HydrophobicContact CE1-CD2 3.61Å; F154-L281 HydrophobicContact CE1-CG 4.18Å; F154-L281 HydrophobicContact CZ-CD1 4.5Å; F154-L281 HydrophobicContact CZ-CD2 4.33Å; V246-L281 HydrophobicContact CG1-CB 3.9Å; V246-L281 HydrophobicContact CG1-CD2 3.87Å; V247-L281 PolarHBondContact O-N 3.15Å; T248-L281 CarbonylContact C-O 3.54Å; T248-L281 WeakPolarHBondContact CA-O 3.42Å; T248-L281 HydrophobicContact CG2-CB 4.24Å; T248-L281 HydrophobicContact CG2-CD2 4.16Å; T248-L281 HydrophobicContact CG2-CG 4.27Å; V249-L281 PolarHBondContact N-O 3.25Å; L281-Y311 WeakPolarHBondContact CA-O 3.33Å; L281-F313 HydrophobicContact CD1-CD1 4.15Å; L281-F313 HydrophobicContact CD1-CD2 4Å; L281-F313 HydrophobicContact CD1-CE1 4.22Å; L281-F313 HydrophobicContact CD1-CE2 4.07Å; L281-F313 HydrophobicContact CD1-CG 4.05Å; L281-F313 HydrophobicContact CD1-CZ 4.19Å; L281-F313 HydrophobicContact CD2-CD1 4.25Å; L281-F313 HydrophobicContact CD2-CE1 3.5Å; L281-F313 HydrophobicContact CD2-CE2 3.85Å; L281-F313 HydrophobicContact CD2-CZ 3.27Å; L281-F313 HydrophobicContact CG-CD1 4.42Å; L281-F313 HydrophobicContact CG-CD2 4.01Å; L281-F313 HydrophobicContact CG-CE1 4.02Å; L281-F313 HydrophobicContact CG-CE2 3.57Å; L281-F313 HydrophobicContact CG-CG 4.43Å; L281-F313 HydrophobicContact CG-CZ 3.57Å; L281-L341 HydrophobicContact CD2-CD2 4.22Å
282	L	98.5	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144	-176.1	-57.9	102	0	0	0	113.4	V249 I254 V280 A284 V297 V310 Y311 Y312 F313	V249-L282 HydrophobicContact CB-CD2 3.82Å; V249-L282 HydrophobicContact CB-CG 4.05Å; V249-L282 HydrophobicContact CG1-CD2 4.39Å; V249-L282 HydrophobicContact CG2-CD2 4.42Å; V249-L282 HydrophobicContact CG2-CG 4.41Å; I254-L282 HydrophobicContact CD1-CD2 3.64Å; V280-L282 HydrophobicContact CG1-CD1 3.83Å; L282-A284 PolarHBondContact O-N 2.89Å; L282-V297 HydrophobicContact CD1-CB 4.43Å; L282-V297 HydrophobicContact CD1-CG1 4.14Å; L282-V297 HydrophobicContact CD2-CB 4.28Å; L282-V297 HydrophobicContact CD2-CG2 3.89Å; L282-V310 HydrophobicContact CD1-CG1 3.64Å; L282-Y311 PolarHBondContact N-O 3.42Å; L282-Y312 HydrophobicContact CB-CD1 4.11Å; L282-Y312 HydrophobicContact CB-CE1 4.44Å; L282-Y312 HydrophobicContact CD1-CE1 4.26Å; L282-Y312 VanDerWaalsContact O-CA 3.24Å; L282-Y312 WeakPolarHBondContact O-CA 3.18Å; L282-F313 PolarHBondContact O-N 2.96Å
283	P	96.8	Very high	95.3	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.091	21%	0.208	C	C	.	.			trans	-83.5	64.9	169.4	35.9	-34.8	0	0	0	110.4	V249 P251 F285 Y286 F313	V249-P283 WeakPolarHBondContact O-CD 3.22Å; P251-P283 HydrophobicContact CG-CG 4.09Å; P283-F285 VanDerWaalsContact C-N 3.34Å; P283-F285 PolarHBondContact O-N 3.35Å; P283-Y286 WeakPolarHBondContact O-CB 3.38Å; P283-Y286 PolarHBondContact O-N 2.9Å; P283-F313 HydrophobicContact CB-CD2 4.08Å
284	A	96.8	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.9	-47.9	-179	0	0	0	0	0	111.2	L282 Y286 N290 T291 S294 Y312	L282-A284 PolarHBondContact O-N 2.89Å; A284-Y286 PolarHBondContact O-N 2.97Å; A284-N290 CarbonylContact O-C 3.59Å; A284-T291 WeakPolarHBondContact O-CA 2.99Å; A284-T291 PolarHBondContact O-N 3.01Å; A284-T291 VanDerWaalsContact O-N 3.14Å; A284-T291 PolarHBondContact O-OG1 2.91Å; A284-S294 WeakPolarHBondContact CA-OG 3.12Å; A284-Y312 HydrophobicContact CB-CD1 3.42Å; A284-Y312 VanDerWaalsContact CB-CD1 3.42Å; A284-Y312 HydrophobicContact CB-CE1 4Å; A284-Y312 HydrophobicContact CB-CG 3.91Å
285	F	96.1	Very high	95.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-85.8	39.4	-176.4	-49.4	-67.5	0	0	0	113.6	T155 L166 Y168 E169 Y176 I178 I182 F186 P283 T291 Y312 P315	T155-F285 HydrophobicContact CG2-CD2 3.78Å; T155-F285 HydrophobicContact CG2-CE2 3.68Å; L166-F285 HydrophobicContact CD2-CB 4.03Å; L166-F285 HydrophobicContact CD2-CD1 3.72Å; L166-F285 HydrophobicContact CD2-CD2 3.65Å; L166-F285 HydrophobicContact CD2-CE1 4.08Å; L166-F285 HydrophobicContact CD2-CE2 4.02Å; L166-F285 HydrophobicContact CD2-CG 3.49Å; L166-F285 VanDerWaalsContact CD2-CG 3.49Å; L166-F285 HydrophobicContact CD2-CZ 4.23Å; Y168-F285 VanDerWaalsContact CD1-C 3.47Å; Y168-F285 HydrophobicContact CD1-CB 4.1Å; Y168-F285 WeakPolarHBondContact CD1-O 3.28Å; Y168-F285 HydrophobicContact CE1-CB 4.31Å; Y168-F285 HydrophobicContact CE1-CD1 4.21Å; E169-F285 PolarHBondContact N-O 3.05Å; Y176-F285 HydrophobicContact CD1-CD1 4.29Å; Y176-F285 AromaticContact CD1-CE1 3.74Å; Y176-F285 HydrophobicContact CD1-CE1 3.74Å; Y176-F285 HydrophobicContact CE1-CE1 4.01Å; Y176-F285 HydrophobicContact CG-CD1 4.42Å; Y176-F285 HydrophobicContact CG-CE1 4.27Å; I178-F285 HydrophobicContact CD1-CE1 4.44Å; I178-F285 HydrophobicContact CD1-CZ 4.39Å; I182-F285 HydrophobicContact CG2-CZ 4.31Å; F186-F285 HydrophobicContact CE1-CE2 4.01Å; F186-F285 AromaticContact CE1-CZ 3.94Å; F186-F285 HydrophobicContact CE1-CZ 3.94Å; F186-F285 AromaticContact CZ-CE2 3.85Å; F186-F285 HydrophobicContact CZ-CE2 3.85Å; F186-F285 AromaticContact CZ-CZ 3.66Å; F186-F285 HydrophobicContact CZ-CZ 3.66Å; P283-F285 VanDerWaalsContact C-N 3.34Å; P283-F285 PolarHBondContact O-N 3.35Å; F285-T291 HydrophobicContact CE1-CG2 4.3Å; F285-Y312 HydrophobicContact CE2-CG 4.37Å; F285-P315 HydrophobicContact CB-CB 4.39Å; F285-P315 HydrophobicContact CB-CG 4.04Å
286	Y	92.4	Very high	95.4	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.094	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-81.4	-44.9	169.9	176.3	-107	0	0	0	112.3	E169 V170 P283 A284 N290 R334	E169-Y286 HydrophobicContact CB-CD2 4.16Å; E169-Y286 HydrophobicContact CG-CD2 4.38Å; E169-Y286 WeakPolarHBondContact OE2-CD2 3.48Å; V170-Y286 HydrophobicContact CB-CD2 4.32Å; V170-Y286 HydrophobicContact CB-CE2 3.82Å; V170-Y286 HydrophobicContact CG2-CD2 3.89Å; V170-Y286 HydrophobicContact CG2-CE2 3.22Å; V170-Y286 PolarHBondContact N-O 2.79Å; P283-Y286 WeakPolarHBondContact O-CB 3.38Å; P283-Y286 PolarHBondContact O-N 2.9Å; A284-Y286 PolarHBondContact O-N 2.97Å; Y286-N290 VanDerWaalsContact CD1-ND2 3.3Å; Y286-N290 WeakPolarHBondContact CD1-ND2 3.45Å; Y286-R334 VanDerWaalsContact CE2-NE 3.29Å
287	N	92.3	Very high	95.7	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.134	15%	0.15	C	C	.	.	S	Bend	trans	-164.4	170.9	173.7	65.7	46.8	0	0	0	109	D171 R289 N290 T291	D171-N287 HydrophobicContact CB-CB 4.31Å; N287-R289 VanDerWaalsContact C-N 3.33Å; N287-R289 PolarHBondContact O-N 2.84Å; N287-R289 WeakPolarHBondContact OD1-CA 3.43Å; N287-R289 WeakPolarHBondContact OD1-CB 3.4Å; N287-R289 PolarHBondContact OD1-N 2.88Å; N287-N290 PolarHBondContact O-N 3.4Å; N287-N290 VanDerWaalsContact O-N 3.08Å; N287-N290 PolarHBondContact OD1-N 2.98Å; N287-N290 PolarHBondContact OD1-OD1 3.29Å; N287-T291 PolarHBondContact O-N 2.98Å; N287-T291 VanDerWaalsContact O-N 3.13Å; N287-T291 PolarHBondContact O-OG1 3.15Å; N287-T291 VanDerWaalsContact O-OG1 3.12Å
288	T	90.1	Very high	95.9	Very high	69 Å²	69	27.5 Å²	27.5	42%	0.423	13%	0.129	S	C	.	.	H	α-helix	trans	-55	-41.7	-178.3	-49.6	0	0	0	0	114.4	Y168 N290 T291 D292	Y168-T288 WeakPolarHBondContact CE2-OG1 3.3Å; Y168-T288 WeakPolarHBondContact OH-CA 3.49Å; T288-N290 VanDerWaalsContact C-N 3.29Å; T288-N290 PolarHBondContact O-N 3.4Å; T288-T291 WeakPolarHBondContact O-CB 3.28Å; T288-T291 PolarHBondContact O-N 2.7Å; T288-D292 PolarHBondContact O-N 2.9Å
289	R	89.8	Confident	95.8	Very high	201 Å²	201	30.7 Å²	30.7	76%	0.758	14%	0.141	S	C	*	.	H	α-helix	trans	-64.3	-36.1	180	-68.3	-174.1	-74	-141.2	-4.8	112.2	N287 V293	N287-R289 VanDerWaalsContact C-N 3.33Å; N287-R289 PolarHBondContact O-N 2.84Å; N287-R289 WeakPolarHBondContact OD1-CA 3.43Å; N287-R289 WeakPolarHBondContact OD1-CB 3.4Å; N287-R289 PolarHBondContact OD1-N 2.88Å; R289-V293 WeakPolarHBondContact O-CG2 3.37Å
290	N	94.3	Very high	95.8	Very high	26 Å²	26	30.1 Å²	30.1	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-73.4	-31.8	178.1	-77.4	24.9	0	0	0	111.9	P251 A284 Y286 N287 T288 S294	P251-N290 HydrophobicContact CB-CB 4.27Å; P251-N290 HydrophobicContact CG-CB 4.1Å; A284-N290 CarbonylContact O-C 3.59Å; Y286-N290 VanDerWaalsContact CD1-ND2 3.3Å; Y286-N290 WeakPolarHBondContact CD1-ND2 3.45Å; N287-N290 PolarHBondContact O-N 3.4Å; N287-N290 VanDerWaalsContact O-N 3.08Å; N287-N290 PolarHBondContact OD1-N 2.98Å; N287-N290 PolarHBondContact OD1-OD1 3.29Å; T288-N290 VanDerWaalsContact C-N 3.29Å; T288-N290 PolarHBondContact O-N 3.4Å; N290-S294 WeakPolarHBondContact O-CB 3.35Å; N290-S294 PolarHBondContact O-N 3.05Å; N290-S294 PolarHBondContact O-OG 3.07Å
291	T	95.4	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-57.1	178.1	-54.2	0	0	0	0	110.8	Y168 Y176 A284 F285 N287 T288 V293 S294 I295	Y168-T291 WeakPolarHBondContact CE1-OG1 3.44Å; Y168-T291 PolarHBondContact OH-OG1 2.71Å; Y176-T291 HydrophobicContact CD2-CG2 3.98Å; Y176-T291 HydrophobicContact CE2-CG2 3.52Å; A284-T291 WeakPolarHBondContact O-CA 2.99Å; A284-T291 PolarHBondContact O-N 3.01Å; A284-T291 VanDerWaalsContact O-N 3.14Å; A284-T291 PolarHBondContact O-OG1 2.91Å; F285-T291 HydrophobicContact CE1-CG2 4.3Å; N287-T291 PolarHBondContact O-N 2.98Å; N287-T291 VanDerWaalsContact O-N 3.13Å; N287-T291 PolarHBondContact O-OG1 3.15Å; N287-T291 VanDerWaalsContact O-OG1 3.12Å; T288-T291 WeakPolarHBondContact O-CB 3.28Å; T288-T291 PolarHBondContact O-N 2.7Å; T291-V293 VanDerWaalsContact C-N 3.33Å; T291-V293 PolarHBondContact O-N 3.01Å; T291-S294 PolarHBondContact O-N 2.69Å; T291-S294 VanDerWaalsContact O-N 3.16Å; T291-I295 HydrophobicContact CG2-CD1 3.47Å; T291-I295 VanDerWaalsContact CG2-CD1 3.47Å; T291-I295 HydrophobicContact CG2-CG1 4.43Å; T291-I295 WeakPolarHBondContact O-CD1 3.37Å; T291-I295 VanDerWaalsContact O-CG1 3.31Å; T291-I295 WeakPolarHBondContact O-CG1 3.44Å; T291-I295 PolarHBondContact O-N 2.92Å
292	D	93.9	Very high	95.6	Very high	82 Å²	82	34 Å²	34	44%	0.439	16%	0.157	S	C	.	.	H	α-helix	trans	-58.8	-45.3	-176.5	-60.4	-28	0	0	0	111.8	T288 S294 R296	T288-D292 PolarHBondContact O-N 2.9Å; D292-S294 PolarHBondContact O-N 2.53Å; D292-R296 VanDerWaalsContact O-CG 3.32Å; D292-R296 WeakPolarHBondContact O-CG 3.37Å; D292-R296 PolarHBondContact O-N 3.39Å; D292-R296 VanDerWaalsContact O-N 3.14Å
293	V	96.4	Very high	95.6	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-37.9	-179	175.5	0	0	0	0	111.6	P251 I254 K260 R289 T291	P251-V293 HydrophobicContact CB-CG1 4.36Å; I254-V293 HydrophobicContact CB-CG1 3.49Å; I254-V293 VanDerWaalsContact CB-CG1 3.49Å; I254-V293 HydrophobicContact CD1-CG1 3.94Å; I254-V293 HydrophobicContact CG1-CG1 4.34Å; I254-V293 HydrophobicContact CG2-CG1 3.41Å; I254-V293 VanDerWaalsContact CG2-CG1 3.41Å; K260-V293 HydrophobicContact CB-CG2 4.32Å; K260-V293 HydrophobicContact CG-CG2 4.4Å; R289-V293 WeakPolarHBondContact O-CG2 3.37Å; T291-V293 VanDerWaalsContact C-N 3.33Å; T291-V293 PolarHBondContact O-N 3.01Å
294	S	97.8	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-73.8	-38.3	-179.6	-55.9	0	0	0	0	111.9	A284 N290 T291 D292 R296 V297	A284-S294 WeakPolarHBondContact CA-OG 3.12Å; N290-S294 WeakPolarHBondContact O-CB 3.35Å; N290-S294 PolarHBondContact O-N 3.05Å; N290-S294 PolarHBondContact O-OG 3.07Å; T291-S294 PolarHBondContact O-N 2.69Å; T291-S294 VanDerWaalsContact O-N 3.16Å; D292-S294 PolarHBondContact O-N 2.53Å; S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.46Å; S294-V297 VanDerWaalsContact O-CB 3.31Å; S294-V297 WeakPolarHBondContact O-CB 3.47Å; S294-V297 PolarHBondContact O-N 2.87Å; S294-V297 VanDerWaalsContact O-N 3.14Å
295	I	96.9	Very high	95.6	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-38.3	176	-68.4	159.6	0	0	0	110.7	I182 M185 T291 V297 K298 Y299	I182-I295 HydrophobicContact CD1-CD1 3.42Å; I182-I295 VanDerWaalsContact CD1-CD1 3.42Å; I182-I295 HydrophobicContact CD1-CG1 3.92Å; I182-I295 HydrophobicContact CD1-CG2 4.28Å; M185-I295 HydrophobicContact CE-CG2 3.87Å; M185-I295 HydrophobicContact SD-CG2 4.01Å; T291-I295 HydrophobicContact CG2-CD1 3.47Å; T291-I295 VanDerWaalsContact CG2-CD1 3.47Å; T291-I295 HydrophobicContact CG2-CG1 4.43Å; T291-I295 WeakPolarHBondContact O-CD1 3.37Å; T291-I295 VanDerWaalsContact O-CG1 3.31Å; T291-I295 WeakPolarHBondContact O-CG1 3.44Å; T291-I295 PolarHBondContact O-N 2.92Å; I295-V297 PolarHBondContact O-N 3.37Å; I295-V297 VanDerWaalsContact O-N 3.14Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.49Å; I295-Y299 HydrophobicContact CG2-CD2 4.39Å; I295-Y299 HydrophobicContact CG2-CE1 4.01Å; I295-Y299 HydrophobicContact CG2-CE2 3.61Å; I295-Y299 WeakPolarHBondContact CG2-OH 3.33Å; I295-Y299 PolarHBondContact O-N 3.16Å
296	R	97.2	Very high	95.6	Very high	59 Å²	59	49.7 Å²	49.7	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-28.7	175	-73.5	172.9	-167.8	173.4	-1.1	113.2	K260 L261 E262 D292 S294 K298 Y299 V300	K260-R296 WeakPolarHBondContact O-CD 3.22Å; K260-R296 PolarHBondContact O-NH1 3Å; L261-R296 HydrophobicContact CB-CB 4.31Å; L261-R296 HydrophobicContact CD1-CB 4.46Å; E262-R296 IonicContact OE1-CZ 3.69Å; E262-R296 IonicContact OE1-NH1 2.68Å; E262-R296 PolarHBondContact OE1-NH1 3.25Å; E262-R296 IonicContact OE1-NH2 2.65Å; E262-R296 PolarHBondContact OE1-NH2 3.17Å; D292-R296 VanDerWaalsContact O-CG 3.32Å; D292-R296 WeakPolarHBondContact O-CG 3.37Å; D292-R296 PolarHBondContact O-N 3.39Å; D292-R296 VanDerWaalsContact O-N 3.14Å; S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.46Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 2.96Å; R296-Y299 HydrophobicContact CB-CD2 4.5Å; R296-Y299 HydrophobicContact CG-CD2 4.23Å; R296-Y299 PolarHBondContact O-N 3.36Å; R296-V300 WeakPolarHBondContact O-CG2 3.37Å; R296-V300 PolarHBondContact O-N 3.15Å
297	V	98	Very high	95.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-44.4	172.9	170.2	0	0	0	0	110.7	I254 L261 F268 V280 L282 S294 I295 Y299 V300 L301	I254-V297 HydrophobicContact CD1-CG2 3.37Å; I254-V297 HydrophobicContact CG1-CG2 4.23Å; L261-V297 HydrophobicContact CD1-CG2 3.84Å; F268-V297 HydrophobicContact CE1-CB 4.29Å; F268-V297 HydrophobicContact CE1-CG1 3.84Å; F268-V297 HydrophobicContact CE1-CG2 3.85Å; F268-V297 HydrophobicContact CZ-CB 4.44Å; F268-V297 HydrophobicContact CZ-CG1 3.96Å; F268-V297 HydrophobicContact CZ-CG2 3.71Å; V280-V297 HydrophobicContact CG1-CG1 4.26Å; L282-V297 HydrophobicContact CD1-CB 4.43Å; L282-V297 HydrophobicContact CD1-CG1 4.14Å; L282-V297 HydrophobicContact CD2-CB 4.28Å; L282-V297 HydrophobicContact CD2-CG2 3.89Å; S294-V297 VanDerWaalsContact O-CB 3.31Å; S294-V297 WeakPolarHBondContact O-CB 3.47Å; S294-V297 PolarHBondContact O-N 2.87Å; S294-V297 VanDerWaalsContact O-N 3.14Å; I295-V297 PolarHBondContact O-N 3.37Å; I295-V297 VanDerWaalsContact O-N 3.14Å; V297-Y299 VanDerWaalsContact C-N 3.33Å; V297-Y299 PolarHBondContact O-N 3.14Å; V297-V300 WeakPolarHBondContact O-CB 3.39Å; V297-V300 PolarHBondContact O-N 2.83Å; V297-V300 VanDerWaalsContact O-N 3.12Å; V297-L301 HydrophobicContact CG1-CD1 3.54Å; V297-L301 WeakPolarHBondContact O-CD1 3.44Å; V297-L301 PolarHBondContact O-N 3.33Å
298	K	97.4	Very high	95.9	Very high	44 Å²	44	52.6 Å²	52.6	19%	0.191	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-45	174.9	-179.7	57.9	167.4	75.8	0	111.7	M185 I295 R296 V300 L301 D302 V310 Y312	M185-K298 HydrophobicContact CG-CG 4.34Å; M185-K298 HydrophobicContact SD-CB 4.4Å; M185-K298 HydrophobicContact SD-CG 4.12Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.49Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 2.96Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.05Å; K298-L301 PolarHBondContact O-N 2.89Å; K298-L301 VanDerWaalsContact O-N 3.15Å; K298-D302 IonicContact NZ-OD1 2.89Å; K298-D302 PolarHBondContact NZ-OD1 2.74Å; K298-D302 IonicContact NZ-OD2 2.97Å; K298-D302 PolarHBondContact NZ-OD2 3.44Å; K298-D302 PolarHBondContact O-N 3.03Å; K298-V310 HydrophobicContact CB-CG2 4.45Å; K298-V310 HydrophobicContact CD-CB 4.08Å; K298-V310 HydrophobicContact CD-CG2 3.91Å; K298-Y312 WeakPolarHBondContact CB-OH 3.32Å
299	Y	97.1	Very high	96.2	Very high	70 Å²	70	50.9 Å²	50.9	28%	0.275	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-38.8	175.7	-54.8	-34.7	0	0	0	112.6	E181 M185 I295 R296 V297 D302 D303	E181-Y299 PolarHBondContact OE1-OH 2.92Å; M185-Y299 HydrophobicContact CE-CD1 4.49Å; M185-Y299 HydrophobicContact CE-CE1 3.52Å; I295-Y299 HydrophobicContact CG2-CD2 4.39Å; I295-Y299 HydrophobicContact CG2-CE1 4.01Å; I295-Y299 HydrophobicContact CG2-CE2 3.61Å; I295-Y299 WeakPolarHBondContact CG2-OH 3.33Å; I295-Y299 PolarHBondContact O-N 3.16Å; R296-Y299 HydrophobicContact CB-CD2 4.5Å; R296-Y299 HydrophobicContact CG-CD2 4.23Å; R296-Y299 PolarHBondContact O-N 3.36Å; V297-Y299 VanDerWaalsContact C-N 3.33Å; V297-Y299 PolarHBondContact O-N 3.14Å; Y299-D302 PolarHBondContact O-N 3.12Å; Y299-D303 WeakPolarHBondContact O-CB 3.29Å; Y299-D303 PolarHBondContact O-N 3.11Å
300	V	97.8	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-45.9	174.3	176.9	0	0	0	0	111.1	L261 R265 F268 R296 V297 K298 D302 D303 F304	L261-V300 HydrophobicContact CB-CG2 4.29Å; L261-V300 HydrophobicContact CD1-CG2 3.83Å; L261-V300 HydrophobicContact CD2-CG2 4.33Å; L261-V300 HydrophobicContact CG-CG2 4.36Å; R265-V300 HydrophobicContact CB-CG1 4.12Å; R265-V300 HydrophobicContact CB-CG2 3.81Å; R265-V300 HydrophobicContact CG-CG2 3.63Å; F268-V300 HydrophobicContact CD1-CB 4.49Å; F268-V300 HydrophobicContact CD1-CG1 4.11Å; R296-V300 WeakPolarHBondContact O-CG2 3.37Å; R296-V300 PolarHBondContact O-N 3.15Å; V297-V300 WeakPolarHBondContact O-CB 3.39Å; V297-V300 PolarHBondContact O-N 2.83Å; V297-V300 VanDerWaalsContact O-N 3.12Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.05Å; V300-D302 VanDerWaalsContact C-N 3.28Å; V300-D302 PolarHBondContact O-N 2.88Å; V300-D303 PolarHBondContact O-N 3.28Å; V300-F304 HydrophobicContact CG1-CD2 3.76Å; V300-F304 HydrophobicContact CG1-CE2 3.9Å; V300-F304 WeakPolarHBondContact O-CD2 3.41Å; V300-F304 PolarHBondContact O-N 3.02Å
301	L	97.3	Very high	96.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-37.2	178.4	-82.1	95.1	0	0	0	112	L272 V297 K298 F304 E305 S306 Q308 V310	L272-L301 HydrophobicContact CD1-CD1 3.69Å; L272-L301 HydrophobicContact CD1-CG 4.26Å; V297-L301 HydrophobicContact CG1-CD1 3.54Å; V297-L301 WeakPolarHBondContact O-CD1 3.44Å; V297-L301 PolarHBondContact O-N 3.33Å; K298-L301 PolarHBondContact O-N 2.89Å; K298-L301 VanDerWaalsContact O-N 3.15Å; L301-F304 PolarHBondContact O-N 2.78Å; L301-E305 PolarHBondContact O-N 2.83Å; L301-E305 VanDerWaalsContact O-N 3.16Å; L301-S306 WeakPolarHBondContact O-CB 3.47Å; L301-S306 PolarHBondContact O-N 3.33Å; L301-Q308 HydrophobicContact CD2-CB 3.53Å; L301-Q308 VanDerWaalsContact CD2-O 3.25Å; L301-Q308 WeakPolarHBondContact CD2-O 3.25Å; L301-V310 HydrophobicContact CD1-CG2 3.83Å; L301-V310 HydrophobicContact CD2-CG2 3.91Å; L301-V310 HydrophobicContact CG-CG2 4.32Å
302	D	96.4	Very high	97	Very high	79 Å²	79	42 Å²	42	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-45.3	176.3	-67.5	-20.8	0	0	0	112.4	K298 Y299 V300 F304 E305	K298-D302 IonicContact NZ-OD1 2.89Å; K298-D302 PolarHBondContact NZ-OD1 2.74Å; K298-D302 IonicContact NZ-OD2 2.97Å; K298-D302 PolarHBondContact NZ-OD2 3.44Å; K298-D302 PolarHBondContact O-N 3.03Å; Y299-D302 PolarHBondContact O-N 3.12Å; V300-D302 VanDerWaalsContact C-N 3.28Å; V300-D302 PolarHBondContact O-N 2.88Å; D302-F304 PolarHBondContact O-N 3.29Å; D302-F304 VanDerWaalsContact O-N 3.16Å; D302-E305 PolarHBondContact O-N 3.45Å
303	D	96.7	Very high	97.2	Very high	95 Å²	95	38.4 Å²	38.4	51%	0.508	20%	0.195	S	C	.	.	H	α-helix	trans	-58.6	-28.5	178.2	-70.4	-17.4	0	0	0	112.8	R265 Y299 V300	R265-D303 IonicContact CZ-OD2 3.08Å; R265-D303 IonicContact NH1-OD2 3.33Å; R265-D303 PolarHBondContact NH1-OD2 3.34Å; Y299-D303 WeakPolarHBondContact O-CB 3.29Å; Y299-D303 PolarHBondContact O-N 3.11Å; V300-D303 PolarHBondContact O-N 3.28Å
304	F	97.2	Very high	97.3	Very high	50 Å²	50	38.8 Å²	38.8	22%	0.219	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	12.1	179.4	-69	-69.2	0	0	0	113	R265 R266 Y269 V300 L301 D302 S306	R265-F304 HydrophobicContact CB-CE2 4.02Å; R266-F304 HydrophobicContact CB-CE1 4.47Å; R266-F304 HydrophobicContact CB-CZ 3.86Å; R266-F304 HydrophobicContact CG-CE1 4.43Å; R266-F304 HydrophobicContact CG-CZ 4.27Å; Y269-F304 HydrophobicContact CD1-CB 4.03Å; Y269-F304 HydrophobicContact CD1-CD1 4.11Å; Y269-F304 HydrophobicContact CD1-CD2 4.04Å; Y269-F304 AromaticContact CD1-CG 3.8Å; Y269-F304 HydrophobicContact CD1-CG 3.8Å; Y269-F304 HydrophobicContact CD2-CB 3.87Å; Y269-F304 HydrophobicContact CD2-CD2 4.03Å; Y269-F304 HydrophobicContact CD2-CG 4.14Å; Y269-F304 HydrophobicContact CE1-CB 3.84Å; Y269-F304 HydrophobicContact CE1-CD1 4.32Å; Y269-F304 HydrophobicContact CE1-CG 4.06Å; Y269-F304 HydrophobicContact CE2-CB 3.68Å; Y269-F304 HydrophobicContact CE2-CG 4.39Å; Y269-F304 HydrophobicContact CG-CB 4.04Å; Y269-F304 AromaticContact CG-CD2 3.66Å; Y269-F304 HydrophobicContact CG-CD2 3.66Å; Y269-F304 HydrophobicContact CG-CE2 4.29Å; Y269-F304 AromaticContact CG-CG 3.83Å; Y269-F304 HydrophobicContact CG-CG 3.83Å; V300-F304 HydrophobicContact CG1-CD2 3.76Å; V300-F304 HydrophobicContact CG1-CE2 3.9Å; V300-F304 WeakPolarHBondContact O-CD2 3.41Å; V300-F304 PolarHBondContact O-N 3.02Å; L301-F304 PolarHBondContact O-N 2.78Å; D302-F304 PolarHBondContact O-N 3.29Å; D302-F304 VanDerWaalsContact O-N 3.16Å; F304-S306 PolarHBondContact O-N 2.89Å; F304-S306 VanDerWaalsContact O-N 3.13Å
305	E	96.8	Very high	97.2	Very high	183 Å²	183	39 Å²	39	86%	0.855	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	38.8	178	-60.8	175.2	-146.9	0	0	112.9	L301 D302	L301-E305 PolarHBondContact O-N 2.83Å; L301-E305 VanDerWaalsContact O-N 3.16Å; D302-E305 PolarHBondContact O-N 3.45Å
306	S	96.6	Very high	97.2	Very high	18 Å²	18	42.7 Å²	42.7	13%	0.126	22%	0.215	C	C	.	.			trans	-70	136.2	-176.6	-167.2	0	0	0	0	111.6	L301 F304 Q308	L301-S306 WeakPolarHBondContact O-CB 3.47Å; L301-S306 PolarHBondContact O-N 3.33Å; F304-S306 PolarHBondContact O-N 2.89Å; F304-S306 VanDerWaalsContact O-N 3.13Å; S306-Q308 PolarHBondContact O-N 2.85Å; S306-Q308 PolarHBondContact OG-N 3.26Å; S306-Q308 PolarHBondContact OG-OE1 3.32Å
307	P	94.7	Very high	97.2	Very high	102 Å²	102	40 Å²	40	66%	0.662	21%	0.205	S	C	*	.			trans	-75.9	-12.7	173.9	32.3	-36.2	0	0	0	113.1	A309	P307-A309 PolarHBondContact O-N 3.46Å
308	Q	96.8	Very high	97.2	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.042	21%	0.205	C	C	.	.			trans	-66.7	130.4	-176.8	-66.2	177.1	-82.4	0	0	111.4	E276 A278 L301 S306	E276-Q308 WeakPolarHBondContact O-CG 3.45Å; E276-Q308 PolarHBondContact O-NE2 3.47Å; A278-Q308 WeakPolarHBondContact O-CG 3.48Å; A278-Q308 PolarHBondContact O-NE2 2.86Å; L301-Q308 HydrophobicContact CD2-CB 3.53Å; L301-Q308 VanDerWaalsContact CD2-O 3.25Å; L301-Q308 WeakPolarHBondContact CD2-O 3.25Å; S306-Q308 PolarHBondContact O-N 2.85Å; S306-Q308 PolarHBondContact OG-N 3.26Å; S306-Q308 PolarHBondContact OG-OE1 3.32Å
309	A	96.7	Very high	97.1	Very high	32 Å²	32	39.5 Å²	39.5	26%	0.264	21%	0.205	S	C	.	.			trans	-73.1	147.1	173.1	0	0	0	0	0	111.6	S279 V280 P307 Y311	S279-A309 CarbonylContact C-O 3.24Å; S279-A309 WeakPolarHBondContact CA-O 3.26Å; V280-A309 PolarHBondContact N-O 2.99Å; P307-A309 PolarHBondContact O-N 3.46Å; A309-Y311 HydrophobicContact CB-CE1 4.09Å; A309-Y311 HydrophobicContact CB-CE2 4Å
310	V	98	Very high	97.1	Very high	9 Å²	9	38 Å²	38	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.6	170.3	-175.2	0	0	0	0	109.1	V280 L282 K298 L301 Y312	V280-V310 CarbonylContact O-C 3.43Å; V280-V310 WeakPolarHBondContact O-CA 3.41Å; L282-V310 HydrophobicContact CD1-CG1 3.64Å; K298-V310 HydrophobicContact CB-CG2 4.45Å; K298-V310 HydrophobicContact CD-CB 4.08Å; K298-V310 HydrophobicContact CD-CG2 3.91Å; L301-V310 HydrophobicContact CD1-CG2 3.83Å; L301-V310 HydrophobicContact CD2-CG2 3.91Å; L301-V310 HydrophobicContact CG-CG2 4.32Å; V310-Y312 HydrophobicContact CG1-CE1 3.9Å
311	Y	98.4	Very high	97.1	Very high	30 Å²	30	38 Å²	38	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153	176.3	-58.7	-47.9	0	0	0	110.9	F154 P187 P191 S279 V280 L281 L282 A309	F154-Y311 HydrophobicContact CD2-CD1 4.27Å; F154-Y311 AromaticContact CD2-CD2 3.99Å; F154-Y311 HydrophobicContact CD2-CD2 3.99Å; F154-Y311 AromaticContact CD2-CG 3.84Å; F154-Y311 HydrophobicContact CD2-CG 3.84Å; F154-Y311 AromaticContact CE2-CD2 3.58Å; F154-Y311 HydrophobicContact CE2-CD2 3.58Å; F154-Y311 HydrophobicContact CE2-CE2 4.06Å; F154-Y311 AromaticContact CE2-CG 3.93Å; F154-Y311 HydrophobicContact CE2-CG 3.93Å; F154-Y311 HydrophobicContact CG-CG 4.26Å; F154-Y311 AromaticContact CZ-CD2 4Å; F154-Y311 HydrophobicContact CZ-CD2 4Å; F154-Y311 HydrophobicContact CZ-CG 4.43Å; P187-Y311 HydrophobicContact CB-CE1 3.98Å; P187-Y311 HydrophobicContact CG-CD1 3.87Å; P187-Y311 HydrophobicContact CG-CE1 3.79Å; P191-Y311 HydrophobicContact CG-CE2 4.12Å; S279-Y311 WeakPolarHBondContact OG-CE2 3.22Å; V280-Y311 PolarHBondContact O-N 3.15Å; L281-Y311 WeakPolarHBondContact CA-O 3.33Å; L282-Y311 PolarHBondContact N-O 3.42Å; A309-Y311 HydrophobicContact CB-CE1 4.09Å; A309-Y311 HydrophobicContact CB-CE2 4Å
312	Y	98.5	Very high	97.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	176.1	-51.2	-68.1	0	0	0	110	F154 T155 M185 F186 L282 A284 F285 K298 V310 H314	F154-Y312 CarbonylContact C-O 3.51Å; F154-Y312 WeakPolarHBondContact CA-O 3.43Å; T155-Y312 PolarHBondContact N-O 3.24Å; T155-Y312 PolarHBondContact OG1-O 2.71Å; M185-Y312 HydrophobicContact CB-CE2 4.46Å; F186-Y312 HydrophobicContact CD1-CD2 4.04Å; F186-Y312 HydrophobicContact CD1-CE2 4.47Å; F186-Y312 AromaticContact CE1-CD2 3.76Å; F186-Y312 HydrophobicContact CE1-CD2 3.76Å; F186-Y312 HydrophobicContact CE1-CE2 4.28Å; L282-Y312 HydrophobicContact CB-CD1 4.11Å; L282-Y312 HydrophobicContact CB-CE1 4.44Å; L282-Y312 HydrophobicContact CD1-CE1 4.26Å; L282-Y312 VanDerWaalsContact O-CA 3.24Å; L282-Y312 WeakPolarHBondContact O-CA 3.18Å; A284-Y312 HydrophobicContact CB-CD1 3.42Å; A284-Y312 VanDerWaalsContact CB-CD1 3.42Å; A284-Y312 HydrophobicContact CB-CE1 4Å; A284-Y312 HydrophobicContact CB-CG 3.91Å; F285-Y312 HydrophobicContact CE2-CG 4.37Å; K298-Y312 WeakPolarHBondContact CB-OH 3.32Å; V310-Y312 HydrophobicContact CG1-CE1 3.9Å; Y312-H314 PolarHBondContact O-N 3.43Å
313	F	98.4	Very high	97.1	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-61.2	137.4	174.4	-74.3	-71.9	0	0	0	110.9	L153 T248 L281 L282 P283 L318 I340 L341	L153-F313 HydrophobicContact CD1-CD1 4Å; L153-F313 HydrophobicContact CD1-CE1 3.83Å; L153-F313 WeakPolarHBondContact O-CA 3.49Å; T248-F313 HydrophobicContact CG2-CE2 4.3Å; T248-F313 HydrophobicContact CG2-CZ 4.2Å; L281-F313 HydrophobicContact CD1-CD1 4.15Å; L281-F313 HydrophobicContact CD1-CD2 4Å; L281-F313 HydrophobicContact CD1-CE1 4.22Å; L281-F313 HydrophobicContact CD1-CE2 4.07Å; L281-F313 HydrophobicContact CD1-CG 4.05Å; L281-F313 HydrophobicContact CD1-CZ 4.19Å; L281-F313 HydrophobicContact CD2-CD1 4.25Å; L281-F313 HydrophobicContact CD2-CE1 3.5Å; L281-F313 HydrophobicContact CD2-CE2 3.85Å; L281-F313 HydrophobicContact CD2-CZ 3.27Å; L281-F313 HydrophobicContact CG-CD1 4.42Å; L281-F313 HydrophobicContact CG-CD2 4.01Å; L281-F313 HydrophobicContact CG-CE1 4.02Å; L281-F313 HydrophobicContact CG-CE2 3.57Å; L281-F313 HydrophobicContact CG-CG 4.43Å; L281-F313 HydrophobicContact CG-CZ 3.57Å; L282-F313 PolarHBondContact O-N 2.96Å; P283-F313 HydrophobicContact CB-CD2 4.08Å; F313-L318 HydrophobicContact CB-CD1 3.72Å; F313-L318 HydrophobicContact CB-CD2 4.19Å; F313-L318 HydrophobicContact CB-CG 4.04Å; F313-L318 HydrophobicContact CD1-CD2 3.98Å; F313-L318 HydrophobicContact CE1-CD2 4.48Å; F313-L318 HydrophobicContact CG-CD1 4.2Å; F313-L318 HydrophobicContact CG-CD2 4.06Å; F313-L318 HydrophobicContact CG-CG 4.44Å; F313-I340 HydrophobicContact CD1-CG2 4.37Å; F313-I340 HydrophobicContact CE1-CG2 3.65Å; F313-I340 HydrophobicContact CZ-CG2 3.89Å; F313-L341 HydrophobicContact CE1-CD2 4.47Å; F313-L341 HydrophobicContact CZ-CD2 4.02Å
314	H	98.1	Very high	97.2	Very high	16 Å²	16	40.2 Å²	40.2	7%	0.074	20%	0.203	C	C	.	.			trans	-73.6	127.2	168.8	-163.9	-76.6	0	0	0	109.7	F152 L153 T155 T160 Y312 Q316 Y317 L318	F152-H314 WeakPolarHBondContact O-CB 3.03Å; L153-H314 PolarHBondContact O-N 3.15Å; L153-H314 VanDerWaalsContact O-N 3.16Å; T155-H314 HydrophobicContact CG2-CB 4.15Å; T160-H314 PolarHBondContact OG1-CD2 3.23Å; Y312-H314 PolarHBondContact O-N 3.43Å; H314-Q316 VanDerWaalsContact C-N 3.28Å; H314-Q316 VanDerWaalsContact CE1-CB 3.44Å; H314-Q316 WeakPolarHBondContact CE1-CB 3.24Å; H314-Q316 VanDerWaalsContact ND1-CB 3.25Å; H314-Q316 WeakPolarHBondContact ND1-CB 3.44Å; H314-Q316 PolarHBondContact ND1-N 3.18Å; H314-Q316 VanDerWaalsContact ND1-N 3.16Å; H314-Q316 PolarHBondContact O-N 2.92Å; H314-Y317 WeakPolarHBondContact O-CB 3.21Å; H314-Y317 PolarHBondContact O-N 3.14Å; H314-L318 PolarHBondContact O-N 3.26Å
315	P	96.8	Very high	97.2	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.032	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-35.1	-175.5	21.8	-31.5	0	0	0	112.6	L166 K167 E169 F285 Y317 L318 V319	L166-P315 HydrophobicContact CD1-CG 3.65Å; L166-P315 HydrophobicContact CD2-CG 4.09Å; L166-P315 HydrophobicContact CG-CG 3.84Å; K167-P315 WeakPolarHBondContact O-CB 3.21Å; K167-P315 WeakPolarHBondContact O-CG 3.39Å; E169-P315 HydrophobicContact CB-CB 4.28Å; F285-P315 HydrophobicContact CB-CB 4.39Å; F285-P315 HydrophobicContact CB-CG 4.04Å; P315-Y317 VanDerWaalsContact C-N 3.31Å; P315-Y317 PolarHBondContact O-N 3.01Å; P315-L318 PolarHBondContact O-N 3.26Å; P315-V319 WeakPolarHBondContact O-CG2 3.12Å; P315-V319 PolarHBondContact O-N 2.89Å
316	Q	95.7	Very high	97.2	Very high	86 Å²	86	33.7 Å²	33.7	40%	0.402	18%	0.176	S	C	.	.	H	α-helix	trans	-59.5	-38.3	175	-170.9	61.2	47.6	0	0	113.2	H314 V319 N320	H314-Q316 VanDerWaalsContact C-N 3.28Å; H314-Q316 VanDerWaalsContact CE1-CB 3.44Å; H314-Q316 WeakPolarHBondContact CE1-CB 3.24Å; H314-Q316 VanDerWaalsContact ND1-CB 3.25Å; H314-Q316 WeakPolarHBondContact ND1-CB 3.44Å; H314-Q316 PolarHBondContact ND1-N 3.18Å; H314-Q316 VanDerWaalsContact ND1-N 3.16Å; H314-Q316 PolarHBondContact O-N 2.92Å; Q316-V319 PolarHBondContact O-N 3.24Å; Q316-N320 PolarHBondContact NE2-OD1 3.47Å; Q316-N320 WeakPolarHBondContact O-CB 3.19Å; Q316-N320 VanDerWaalsContact O-CG 3.25Å; Q316-N320 PolarHBondContact O-N 3.1Å; Q316-N320 PolarHBondContact O-OD1 3.39Å
317	Y	97.9	Very high	97.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-46.8	177.4	179.6	-97.7	0	0	0	110.4	C147 A149 F152 L153 H314 P315 V319 N320 V321 I340 A344 E347	C147-Y317 HydrophobicContact CB-CD2 3.97Å; C147-Y317 HydrophobicContact CB-CE2 3.58Å; C147-Y317 WeakPolarHBondContact O-CD2 3.3Å; A149-Y317 HydrophobicContact CB-CE2 3.68Å; F152-Y317 HydrophobicContact CB-CD2 4.39Å; F152-Y317 WeakPolarHBondContact O-CB 3.42Å; L153-Y317 HydrophobicContact CD1-CD1 3.72Å; L153-Y317 HydrophobicContact CD1-CE1 3.32Å; H314-Y317 WeakPolarHBondContact O-CB 3.21Å; H314-Y317 PolarHBondContact O-N 3.14Å; P315-Y317 VanDerWaalsContact C-N 3.31Å; P315-Y317 PolarHBondContact O-N 3.01Å; Y317-V319 VanDerWaalsContact C-N 3.34Å; Y317-V319 PolarHBondContact O-N 2.82Å; Y317-N320 PolarHBondContact O-N 2.99Å; Y317-N320 VanDerWaalsContact O-N 3.17Å; Y317-V321 HydrophobicContact CD1-CG2 4.02Å; Y317-V321 HydrophobicContact CD2-CG2 4.39Å; Y317-V321 HydrophobicContact CE1-CG2 3.59Å; Y317-V321 HydrophobicContact CE2-CG2 3.98Å; Y317-V321 HydrophobicContact CG-CG2 4.38Å; Y317-V321 VanDerWaalsContact O-CG2 3.32Å; Y317-V321 WeakPolarHBondContact O-CG2 3.22Å; Y317-V321 PolarHBondContact O-N 3.46Å; Y317-I340 HydrophobicContact CE1-CG2 4.41Å; Y317-A344 WeakPolarHBondContact OH-CA 3.47Å; Y317-A344 PolarHBondContact OH-N 3.38Å; Y317-E347 WeakPolarHBondContact CE2-OE1 3.41Å; Y317-E347 PolarHBondContact OH-OE1 3.37Å
318	L	97.2	Very high	97.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-42.3	178.7	-59.5	-175.8	0	0	0	112.2	E169 F313 H314 P315 S322 I340	E169-L318 HydrophobicContact CG-CB 4.04Å; E169-L318 WeakPolarHBondContact OE2-CD1 3.3Å; F313-L318 HydrophobicContact CB-CD1 3.72Å; F313-L318 HydrophobicContact CB-CD2 4.19Å; F313-L318 HydrophobicContact CB-CG 4.04Å; F313-L318 HydrophobicContact CD1-CD2 3.98Å; F313-L318 HydrophobicContact CE1-CD2 4.48Å; F313-L318 HydrophobicContact CG-CD1 4.2Å; F313-L318 HydrophobicContact CG-CD2 4.06Å; F313-L318 HydrophobicContact CG-CG 4.44Å; H314-L318 PolarHBondContact O-N 3.26Å; P315-L318 PolarHBondContact O-N 3.26Å; L318-S322 WeakPolarHBondContact O-CB 3.39Å; L318-S322 PolarHBondContact O-N 3.39Å; L318-I340 HydrophobicContact CD2-CD1 3.79Å; L318-I340 HydrophobicContact CD2-CG1 4.06Å; L318-I340 HydrophobicContact CD2-CG2 3.7Å
319	V	96	Very high	96.9	Very high	31 Å²	31	37 Å²	37	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-44.1	175.2	171.2	0	0	0	0	111.4	E169 P315 Q316 Y317 S322 R323	E169-V319 HydrophobicContact CG-CG2 4.15Å; P315-V319 WeakPolarHBondContact O-CG2 3.12Å; P315-V319 PolarHBondContact O-N 2.89Å; Q316-V319 PolarHBondContact O-N 3.24Å; Y317-V319 VanDerWaalsContact C-N 3.34Å; Y317-V319 PolarHBondContact O-N 2.82Å; V319-S322 PolarHBondContact O-N 3.03Å; V319-R323 WeakPolarHBondContact O-CG 3.5Å; V319-R323 PolarHBondContact O-N 2.67Å
320	N	97.4	Very high	96.9	Very high	40 Å²	40	35.6 Å²	35.6	21%	0.214	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-44.7	-180	-75.5	-0.7	0	0	0	112.1	C146 C147 Q316 Y317 S322 R323 Y324	C146-N320 VanDerWaalsContact O-CB 3.3Å; C146-N320 WeakPolarHBondContact O-CB 3.13Å; C146-N320 PolarHBondContact O-ND2 3.15Å; C147-N320 HydrophobicContact CB-CB 4.44Å; Q316-N320 PolarHBondContact NE2-OD1 3.47Å; Q316-N320 WeakPolarHBondContact O-CB 3.19Å; Q316-N320 VanDerWaalsContact O-CG 3.25Å; Q316-N320 PolarHBondContact O-N 3.1Å; Q316-N320 PolarHBondContact O-OD1 3.39Å; Y317-N320 PolarHBondContact O-N 2.99Å; Y317-N320 VanDerWaalsContact O-N 3.17Å; N320-S322 VanDerWaalsContact C-N 3.32Å; N320-S322 PolarHBondContact O-N 3.35Å; N320-R323 PolarHBondContact O-N 3.29Å; N320-Y324 WeakPolarHBondContact O-CB 3.26Å; N320-Y324 PolarHBondContact O-N 3.32Å
321	V	97.9	Very high	96.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-44.9	174.3	174.9	0	0	0	0	110	C147 Y317 R323 Y324 W325 I335 T343	C147-V321 HydrophobicContact CB-CG2 3.89Å; Y317-V321 HydrophobicContact CD1-CG2 4.02Å; Y317-V321 HydrophobicContact CD2-CG2 4.39Å; Y317-V321 HydrophobicContact CE1-CG2 3.59Å; Y317-V321 HydrophobicContact CE2-CG2 3.98Å; Y317-V321 HydrophobicContact CG-CG2 4.38Å; Y317-V321 VanDerWaalsContact O-CG2 3.32Å; Y317-V321 WeakPolarHBondContact O-CG2 3.22Å; Y317-V321 PolarHBondContact O-N 3.46Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.43Å; V321-Y324 PolarHBondContact O-N 2.96Å; V321-W325 VanDerWaalsContact CG1-CD1 3.5Å; V321-W325 PolarHBondContact O-N 3Å; V321-I335 HydrophobicContact CB-CD1 4.12Å; V321-I335 HydrophobicContact CG1-CD1 3.51Å; V321-T343 HydrophobicContact CG1-CG2 4.11Å; V321-T343 HydrophobicContact CG2-CG2 4.03Å
322	S	97	Very high	96.5	Very high	38 Å²	38	45.3 Å²	45.3	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-41.4	177	-171.8	0	0	0	0	112.7	L318 V319 N320 L326	L318-S322 WeakPolarHBondContact O-CB 3.39Å; L318-S322 PolarHBondContact O-N 3.39Å; V319-S322 PolarHBondContact O-N 3.03Å; N320-S322 VanDerWaalsContact C-N 3.32Å; N320-S322 PolarHBondContact O-N 3.35Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.16Å; S322-L326 PolarHBondContact O-N 3.26Å
323	R	96.8	Very high	96.2	Very high	155 Å²	155	52.6 Å²	52.6	59%	0.585	27%	0.265	S	S	*	.	H	α-helix	trans	-67.8	-41.5	176.7	-73	175.6	-174.5	147.2	-1.4	112.1	V319 N320 V321 L326 S327	V319-R323 WeakPolarHBondContact O-CG 3.5Å; V319-R323 PolarHBondContact O-N 2.67Å; N320-R323 PolarHBondContact O-N 3.29Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.43Å; R323-L326 PolarHBondContact O-N 3.44Å; R323-S327 PolarHBondContact O-N 2.89Å; R323-S327 VanDerWaalsContact O-N 3.11Å
324	Y	97.8	Very high	95.9	Very high	29 Å²	29	53.5 Å²	53.5	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-52.2	177.5	177.5	-101.5	0	0	0	110.9	F139 T142 L143 C146 N320 V321 L326 S327 L328	F139-Y324 WeakPolarHBondContact CE2-OH 3.44Å; F139-Y324 HydrophobicContact CZ-CE1 4.06Å; F139-Y324 WeakPolarHBondContact CZ-OH 3.44Å; T142-Y324 HydrophobicContact CG2-CE2 3.68Å; L143-Y324 HydrophobicContact CD2-CD1 3.81Å; L143-Y324 HydrophobicContact CD2-CE1 3.42Å; L143-Y324 VanDerWaalsContact CD2-CE1 3.42Å; L143-Y324 HydrophobicContact CD2-CE2 4.42Å; L143-Y324 HydrophobicContact CD2-CG 4.44Å; C146-Y324 HydrophobicContact CB-CD2 4.11Å; C146-Y324 HydrophobicContact CB-CG 4.41Å; N320-Y324 WeakPolarHBondContact O-CB 3.26Å; N320-Y324 PolarHBondContact O-N 3.32Å; V321-Y324 PolarHBondContact O-N 2.96Å; Y324-L326 VanDerWaalsContact C-N 3.33Å; Y324-L326 PolarHBondContact O-N 3.41Å; Y324-S327 WeakPolarHBondContact O-CB 3.38Å; Y324-S327 PolarHBondContact O-N 2.9Å; Y324-S327 VanDerWaalsContact O-N 3.09Å; Y324-S327 PolarHBondContact O-OG 2.81Å; Y324-L328 HydrophobicContact CD1-CD1 4.25Å; Y324-L328 HydrophobicContact CE1-CD1 3.55Å; Y324-L328 HydrophobicContact CE1-CG 4.49Å; Y324-L328 PolarHBondContact O-N 3.36Å
325	W	97.7	Very high	95.7	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-69.3	-29.5	179.8	-72.2	108.2	0	0	0	113.7	F139 V321 S327 L328 G329 V330 L339 T343 N392 F393 L396	F139-W325 HydrophobicContact CZ-CH2 4.35Å; V321-W325 VanDerWaalsContact CG1-CD1 3.5Å; V321-W325 PolarHBondContact O-N 3Å; W325-S327 VanDerWaalsContact C-N 3.27Å; W325-S327 PolarHBondContact O-N 3.36Å; W325-L328 HydrophobicContact CD2-CD1 4.42Å; W325-L328 HydrophobicContact CE3-CB 4.29Å; W325-L328 HydrophobicContact CE3-CD1 3.69Å; W325-L328 HydrophobicContact CZ3-CD1 3.76Å; W325-L328 CarbonylContact O-C 3.56Å; W325-L328 WeakPolarHBondContact O-CA 3.29Å; W325-L328 PolarHBondContact O-N 3.29Å; W325-G329 PolarHBondContact O-N 2.96Å; W325-V330 HydrophobicContact CB-CB 4.04Å; W325-V330 HydrophobicContact CB-CG2 4.14Å; W325-V330 HydrophobicContact CE3-CG2 4.11Å; W325-V330 WeakPolarHBondContact O-CB 3.34Å; W325-V330 PolarHBondContact O-N 3.34Å; W325-L339 HydrophobicContact CB-CD2 4.06Å; W325-L339 HydrophobicContact CD2-CD1 3.75Å; W325-L339 HydrophobicContact CD2-CD2 4.04Å; W325-L339 HydrophobicContact CD2-CG 4.23Å; W325-L339 VanDerWaalsContact CE2-CD1 3.41Å; W325-L339 HydrophobicContact CE3-CD1 4.23Å; W325-L339 HydrophobicContact CG-CD1 4.22Å; W325-L339 HydrophobicContact CG-CD2 3.73Å; W325-L339 HydrophobicContact CG-CG 4.17Å; W325-L339 HydrophobicContact CH2-CD1 4.04Å; W325-L339 HydrophobicContact CZ2-CD1 3.56Å; W325-L339 HydrophobicContact CZ3-CD1 4.37Å; W325-T343 PolarHBondContact NE1-OG1 3.36Å; W325-N392 HydrophobicContact CE3-CB 4.47Å; W325-N392 HydrophobicContact CZ3-CB 3.8Å; W325-F393 HydrophobicContact CH2-CE1 4.15Å; W325-F393 HydrophobicContact CZ2-CE1 4.4Å; W325-L396 HydrophobicContact CH2-CD1 3.83Å
326	L	96.9	Very high	95.8	Very high	94 Å²	94	53.3 Å²	53.3	49%	0.492	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-39.6	169.9	178.9	64.5	0	0	0	111.5	S322 R323 Y324 L328 G329 R331	S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.16Å; S322-L326 PolarHBondContact O-N 3.26Å; R323-L326 PolarHBondContact O-N 3.44Å; Y324-L326 VanDerWaalsContact C-N 3.33Å; Y324-L326 PolarHBondContact O-N 3.41Å; L326-L328 PolarHBondContact O-N 3.34Å; L326-G329 PolarHBondContact O-N 3.34Å; L326-R331 HydrophobicContact CD1-CG 3.9Å
327	S	95.4	Very high	95.8	Very high	92 Å²	92	50.5 Å²	50.5	64%	0.643	26%	0.258	S	S	*	.	H	α-helix	trans	-65.3	-23.1	175.7	81	0	0	0	0	113.1	R323 Y324 W325 G329	R323-S327 PolarHBondContact O-N 2.89Å; R323-S327 VanDerWaalsContact O-N 3.11Å; Y324-S327 WeakPolarHBondContact O-CB 3.38Å; Y324-S327 PolarHBondContact O-N 2.9Å; Y324-S327 VanDerWaalsContact O-N 3.09Å; Y324-S327 PolarHBondContact O-OG 2.81Å; W325-S327 VanDerWaalsContact C-N 3.27Å; W325-S327 PolarHBondContact O-N 3.36Å; S327-G329 VanDerWaalsContact C-N 3.31Å
328	L	94.1	Very high	95.8	Very high	67 Å²	67	50.8 Å²	50.8	35%	0.351	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	13.8	173.4	-58.1	-179.5	0	0	0	112.9	Y324 W325 L326	Y324-L328 HydrophobicContact CD1-CD1 4.25Å; Y324-L328 HydrophobicContact CE1-CD1 3.55Å; Y324-L328 HydrophobicContact CE1-CG 4.49Å; Y324-L328 PolarHBondContact O-N 3.36Å; W325-L328 HydrophobicContact CD2-CD1 4.42Å; W325-L328 HydrophobicContact CE3-CB 4.29Å; W325-L328 HydrophobicContact CE3-CD1 3.69Å; W325-L328 HydrophobicContact CZ3-CD1 3.76Å; W325-L328 CarbonylContact O-C 3.56Å; W325-L328 WeakPolarHBondContact O-CA 3.29Å; W325-L328 PolarHBondContact O-N 3.29Å; L326-L328 PolarHBondContact O-N 3.34Å
329	G	93.2	Very high	95.9	Very high	39 Å²	39	50.7 Å²	50.7	40%	0.402	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.7	174.7	0	0	0	0	0	115.4	W325 L326 S327 R331	W325-G329 PolarHBondContact O-N 2.96Å; L326-G329 PolarHBondContact O-N 3.34Å; S327-G329 VanDerWaalsContact C-N 3.31Å; G329-R331 PolarHBondContact O-N 2.87Å
330	V	95.8	Very high	96	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.253	C	S	.	.			trans	-76.6	88.6	174	-175.4	0	0	0	0	109.7	W325 A332 I335 L339 E389 N392	W325-V330 HydrophobicContact CB-CB 4.04Å; W325-V330 HydrophobicContact CB-CG2 4.14Å; W325-V330 HydrophobicContact CE3-CG2 4.11Å; W325-V330 WeakPolarHBondContact O-CB 3.34Å; W325-V330 PolarHBondContact O-N 3.34Å; V330-A332 PolarHBondContact O-N 3.11Å; V330-I335 HydrophobicContact CG1-CG2 4.47Å; V330-L339 HydrophobicContact CG1-CD2 4.26Å; V330-E389 HydrophobicContact CG1-CG 3.85Å; V330-N392 WeakPolarHBondContact CG2-ND2 3.36Å
331	R	94.3	Very high	96.1	Very high	209 Å²	209	47.5 Å²	47.5	79%	0.789	24%	0.243	S	C	*	.			trans	-91.3	94.9	178.7	-63.7	-179.2	-176.4	-175.2	1.8	110.5	L326 G329 A385	L326-R331 HydrophobicContact CD1-CG 3.9Å; G329-R331 PolarHBondContact O-N 2.87Å; R331-A385 WeakPolarHBondContact O-CB 3.3Å
332	A	93	Very high	96.1	Very high	34 Å²	34	47.5 Å²	47.5	28%	0.281	24%	0.243	S	C	.	.			trans	-131.1	156.5	178.2	0	0	0	0	0	111.5	V330 R334 A385	V330-A332 PolarHBondContact O-N 3.11Å; A332-R334 VanDerWaalsContact C-N 3.28Å; A332-R334 WeakPolarHBondContact CB-O 3.29Å; A332-A385 HydrophobicContact CB-CB 3.75Å
333	K	92	Very high	96.2	Very high	155 Å²	155	45.7 Å²	45.7	67%	0.674	23%	0.23	S	C	*	.	S	Bend	trans	-65.1	-37.4	168.9	-179.9	172.9	-178.6	169.6	0	111.1	F383	K333-F383 WeakPolarHBondContact CB-O 3.42Å; K333-F383 HydrophobicContact CD-CD2 4.04Å; K333-F383 HydrophobicContact CD-CE2 4.19Å; K333-F383 PolarHBondContact N-O 3.1Å
334	R	92.1	Very high	96.3	Very high	25 Å²	25	38.3 Å²	38.3	9%	0.094	20%	0.202	C	C	.	.	S	Bend	trans	-148.1	140.4	168.3	-163.9	-176.9	-172.3	-167.9	-3.2	109.1	E169 Y286 A332 F383 H384	E169-R334 IonicContact OE1-CZ 3.49Å; E169-R334 IonicContact OE1-NE 2.74Å; E169-R334 PolarHBondContact OE1-NE 3.14Å; E169-R334 IonicContact OE1-NH2 2.83Å; E169-R334 PolarHBondContact OE1-NH2 3.3Å; E169-R334 IonicContact OE2-CZ 3.22Å; E169-R334 IonicContact OE2-NE 3.89Å; E169-R334 IonicContact OE2-NH2 3.85Å; E169-R334 PolarHBondContact OE2-NH2 3.06Å; Y286-R334 VanDerWaalsContact CE2-NE 3.29Å; A332-R334 VanDerWaalsContact C-N 3.28Å; A332-R334 WeakPolarHBondContact CB-O 3.29Å; R334-F383 HydrophobicContact CB-CD1 4.31Å; R334-F383 HydrophobicContact CB-CE1 3.71Å; R334-F383 HydrophobicContact CB-CZ 3.99Å; R334-F383 HydrophobicContact CG-CE1 4.41Å; R334-F383 PolarHBondContact N-O 3.39Å; R334-H384 PolarHBondContact O-ND1 3.31Å
335	I	95.6	Very high	96.3	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.197	C	C	.	.			trans	-65.6	153.1	170.2	55.4	172.7	0	0	0	111.5	V321 V330 L339 I340 H384	V321-I335 HydrophobicContact CB-CD1 4.12Å; V321-I335 HydrophobicContact CG1-CD1 3.51Å; V330-I335 HydrophobicContact CG1-CG2 4.47Å; I335-L339 HydrophobicContact CB-CD2 3.89Å; I335-L339 HydrophobicContact CG2-CD2 3.73Å; I335-I340 HydrophobicContact CD1-CD1 4.2Å; I335-I340 HydrophobicContact CD1-CG1 3.54Å; I335-I340 HydrophobicContact CG1-CD1 4.13Å; I335-I340 HydrophobicContact CG1-CG1 3.95Å; I335-H384 PolarHBondContact O-CE1 3.45Å; I335-H384 PolarHBondContact O-ND1 2.91Å
336	S	97.1	Very high	96.4	Very high	13 Å²	13	37.4 Å²	37.4	9%	0.091	20%	0.199	C	C	.	.			trans	-72.1	158	178.3	81.3	0	0	0	0	112.8	G338 L339 I340 E389	S336-G338 PolarHBondContact O-N 3.01Å; S336-G338 PolarHBondContact OG-N 3.21Å; S336-L339 PolarHBondContact O-N 3.15Å; S336-L339 PolarHBondContact OG-N 3.38Å; S336-L339 VanDerWaalsContact OG-N 3.07Å; S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 2.92Å; S336-I340 VanDerWaalsContact O-N 3.15Å; S336-E389 WeakPolarHBondContact CB-OE2 3.37Å; S336-E389 PolarHBondContact N-OE1 2.94Å; S336-E389 PolarHBondContact OG-OE2 3.39Å
337	T	97.3	Very high	96.4	Very high	27 Å²	27	32.9 Å²	32.9	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-37.7	169.4	-52	0	0	0	0	111.8	C227 N228 T248 L339 I340 L341	C227-T337 HydrophobicContact CB-CG2 4.49Å; N228-T337 PolarHBondContact ND2-OG1 3.26Å; T248-T337 HydrophobicContact CG2-CG2 3.83Å; T248-T337 VanDerWaalsContact OG1-CG2 3.27Å; T248-T337 WeakPolarHBondContact OG1-CG2 3.45Å; T337-L339 PolarHBondContact O-N 3.26Å; T337-I340 PolarHBondContact O-N 3.22Å; T337-L341 HydrophobicContact CG2-CD1 4.31Å; T337-L341 HydrophobicContact CG2-CG 4.39Å; T337-L341 WeakPolarHBondContact O-CG 3.29Å; T337-L341 PolarHBondContact O-N 2.87Å
338	G	98.1	Very high	96.5	Very high	7 Å²	7	28.5 Å²	28.5	7%	0.072	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-42.9	177.8	0	0	0	0	0	112	S336 L341 A342	S336-G338 PolarHBondContact O-N 3.01Å; S336-G338 PolarHBondContact OG-N 3.21Å; G338-L341 PolarHBondContact O-N 3.43Å; G338-A342 VanDerWaalsContact O-CB 3.28Å; G338-A342 WeakPolarHBondContact O-CB 3.14Å; G338-A342 PolarHBondContact O-N 2.82Å
339	L	98.5	Very high	96.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-39.6	176.7	-175.2	59.1	0	0	0	112.3	W325 V330 I335 S336 T337 T343 E389 F393	W325-L339 HydrophobicContact CB-CD2 4.06Å; W325-L339 HydrophobicContact CD2-CD1 3.75Å; W325-L339 HydrophobicContact CD2-CD2 4.04Å; W325-L339 HydrophobicContact CD2-CG 4.23Å; W325-L339 VanDerWaalsContact CE2-CD1 3.41Å; W325-L339 HydrophobicContact CE3-CD1 4.23Å; W325-L339 HydrophobicContact CG-CD1 4.22Å; W325-L339 HydrophobicContact CG-CD2 3.73Å; W325-L339 HydrophobicContact CG-CG 4.17Å; W325-L339 HydrophobicContact CH2-CD1 4.04Å; W325-L339 HydrophobicContact CZ2-CD1 3.56Å; W325-L339 HydrophobicContact CZ3-CD1 4.37Å; V330-L339 HydrophobicContact CG1-CD2 4.26Å; I335-L339 HydrophobicContact CB-CD2 3.89Å; I335-L339 HydrophobicContact CG2-CD2 3.73Å; S336-L339 PolarHBondContact O-N 3.15Å; S336-L339 PolarHBondContact OG-N 3.38Å; S336-L339 VanDerWaalsContact OG-N 3.07Å; T337-L339 PolarHBondContact O-N 3.26Å; L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.08Å; L339-T343 PolarHBondContact O-OG1 2.91Å; L339-E389 HydrophobicContact CD2-CB 4.4Å; L339-E389 HydrophobicContact CD2-CG 3.81Å; L339-F393 HydrophobicContact CB-CZ 4.49Å; L339-F393 HydrophobicContact CD1-CE1 3.64Å; L339-F393 HydrophobicContact CD1-CE2 4.35Å; L339-F393 HydrophobicContact CD1-CZ 3.35Å
340	I	98.6	Very high	96.9	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-50.4	175.1	-65.9	159.4	0	0	0	110.7	F313 Y317 L318 I335 S336 T337 T343 A344	F313-I340 HydrophobicContact CD1-CG2 4.37Å; F313-I340 HydrophobicContact CE1-CG2 3.65Å; F313-I340 HydrophobicContact CZ-CG2 3.89Å; Y317-I340 HydrophobicContact CE1-CG2 4.41Å; L318-I340 HydrophobicContact CD2-CD1 3.79Å; L318-I340 HydrophobicContact CD2-CG1 4.06Å; L318-I340 HydrophobicContact CD2-CG2 3.7Å; I335-I340 HydrophobicContact CD1-CD1 4.2Å; I335-I340 HydrophobicContact CD1-CG1 3.54Å; I335-I340 HydrophobicContact CG1-CD1 4.13Å; I335-I340 HydrophobicContact CG1-CG1 3.95Å; S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 2.92Å; S336-I340 VanDerWaalsContact O-N 3.15Å; T337-I340 PolarHBondContact O-N 3.22Å; I340-T343 PolarHBondContact O-N 3.27Å; I340-A344 PolarHBondContact O-N 3.27Å
341	L	98.8	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-36.8	-178.5	-63.9	-176.1	0	0	0	112.8	V202 F225 T248 L281 F313 T337 G338 T343 A344 A345	V202-L341 HydrophobicContact CG1-CB 3.87Å; F225-L341 HydrophobicContact CB-CB 4.41Å; F225-L341 HydrophobicContact CB-CD1 4.11Å; F225-L341 HydrophobicContact CD1-CD2 4.15Å; T248-L341 HydrophobicContact CG2-CD1 3.65Å; T248-L341 HydrophobicContact CG2-CD2 3.87Å; T248-L341 HydrophobicContact CG2-CG 4.12Å; L281-L341 HydrophobicContact CD2-CD2 4.22Å; F313-L341 HydrophobicContact CE1-CD2 4.47Å; F313-L341 HydrophobicContact CZ-CD2 4.02Å; T337-L341 HydrophobicContact CG2-CD1 4.31Å; T337-L341 HydrophobicContact CG2-CG 4.39Å; T337-L341 WeakPolarHBondContact O-CG 3.29Å; T337-L341 PolarHBondContact O-N 2.87Å; G338-L341 PolarHBondContact O-N 3.43Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.5Å; L341-A344 PolarHBondContact O-N 3.44Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 3.21Å
342	A	98.8	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-41.2	173	0	0	0	0	0	111.4	G338 A345 L346 L354 F393	G338-A342 VanDerWaalsContact O-CB 3.28Å; G338-A342 WeakPolarHBondContact O-CB 3.14Å; G338-A342 PolarHBondContact O-N 2.82Å; A342-A345 PolarHBondContact O-N 3.21Å; A342-L346 WeakPolarHBondContact O-CD1 3.29Å; A342-L346 VanDerWaalsContact O-CG 3.3Å; A342-L346 WeakPolarHBondContact O-CG 2.93Å; A342-L346 PolarHBondContact O-N 3.02Å; A342-L346 VanDerWaalsContact O-N 3.08Å; A342-L354 HydrophobicContact CB-CD1 4.42Å; A342-L354 HydrophobicContact CB-CD2 3.93Å; A342-F393 HydrophobicContact CB-CE1 3.98Å; A342-F393 HydrophobicContact CB-CZ 3.74Å
343	T	98.6	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-45.7	176.1	-50.9	0	0	0	0	111.2	L143 V321 W325 L339 I340 L341 A345 L346 E347	L143-T343 HydrophobicContact CD1-CG2 3.93Å; L143-T343 HydrophobicContact CD2-CG2 3.92Å; L143-T343 HydrophobicContact CG-CG2 4.47Å; V321-T343 HydrophobicContact CG1-CG2 4.11Å; V321-T343 HydrophobicContact CG2-CG2 4.03Å; W325-T343 PolarHBondContact NE1-OG1 3.36Å; L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.08Å; L339-T343 PolarHBondContact O-OG1 2.91Å; I340-T343 PolarHBondContact O-N 3.27Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.5Å; T343-A345 PolarHBondContact O-N 3.09Å; T343-L346 PolarHBondContact O-N 3.48Å; T343-E347 PolarHBondContact O-N 3.25Å
344	A	98.4	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.5	-43.1	176.8	0	0	0	0	0	112.2	L153 Y317 I340 L341 L346 E347 L348	L153-A344 HydrophobicContact CD1-CB 3.73Å; L153-A344 HydrophobicContact CD2-CB 3.85Å; L153-A344 HydrophobicContact CG-CB 4.46Å; Y317-A344 WeakPolarHBondContact OH-CA 3.47Å; Y317-A344 PolarHBondContact OH-N 3.38Å; I340-A344 PolarHBondContact O-N 3.27Å; L341-A344 PolarHBondContact O-N 3.44Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3.03Å; A344-E347 PolarHBondContact O-N 2.97Å; A344-E347 VanDerWaalsContact O-N 3.1Å; A344-L348 WeakPolarHBondContact O-CG 3.46Å; A344-L348 PolarHBondContact O-N 3.02Å
345	A	98.7	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.6	-39.5	177.2	0	0	0	0	0	112.1	C200 V202 F225 L341 A342 T343 E347 L348 C349 V352	C200-A345 HydrophobicContact CB-CB 4.46Å; V202-A345 HydrophobicContact CG2-CB 3.54Å; F225-A345 HydrophobicContact CD2-CB 4.18Å; F225-A345 HydrophobicContact CE2-CB 3.86Å; L341-A345 WeakPolarHBondContact O-CB 3.38Å; L341-A345 PolarHBondContact O-N 3.21Å; A342-A345 PolarHBondContact O-N 3.21Å; T343-A345 PolarHBondContact O-N 3.09Å; A345-E347 PolarHBondContact O-N 2.95Å; A345-L348 PolarHBondContact O-N 3.46Å; A345-C349 VanDerWaalsContact O-CB 3.22Å; A345-C349 WeakPolarHBondContact O-CB 3.22Å; A345-C349 PolarHBondContact O-N 2.94Å; A345-C349 PolarHBondContact O-SG 2.98Å; A345-V352 HydrophobicContact CB-CG1 3.95Å; A345-V352 HydrophobicContact CB-CG2 4.03Å
346	L	98.4	Very high	98.3	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.052	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-23.2	176	-72.9	163.9	0	0	0	113.4	F139 K140 L143 A342 T343 A344 V352 I401 L402	F139-L346 HydrophobicContact CD1-CD1 4.22Å; F139-L346 HydrophobicContact CE1-CD1 3.79Å; K140-L346 WeakPolarHBondContact CE-O 3.34Å; K140-L346 WeakPolarHBondContact CG-O 3.3Å; L143-L346 HydrophobicContact CD1-CB 3.57Å; L143-L346 HydrophobicContact CD1-CD1 4.17Å; A342-L346 WeakPolarHBondContact O-CD1 3.29Å; A342-L346 VanDerWaalsContact O-CG 3.3Å; A342-L346 WeakPolarHBondContact O-CG 2.93Å; A342-L346 PolarHBondContact O-N 3.02Å; A342-L346 VanDerWaalsContact O-N 3.08Å; T343-L346 PolarHBondContact O-N 3.48Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3.03Å; L346-V352 HydrophobicContact CD2-CB 4.19Å; L346-V352 HydrophobicContact CD2-CG2 3.98Å; L346-V352 HydrophobicContact CG-CG2 4.26Å; L346-I401 HydrophobicContact CD2-CG2 4.11Å; L346-L402 HydrophobicContact CD1-CD2 4Å; L346-L402 HydrophobicContact CD2-CB 4.21Å; L346-L402 HydrophobicContact CD2-CD2 4.27Å
347	E	97.4	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-89	-32.3	175.7	-65.7	-178.5	-100.1	0	0	112.9	L143 N148 A149 Y317 T343 A344 A345	L143-E347 HydrophobicContact CB-CG 3.52Å; L143-E347 HydrophobicContact CD1-CG 3.99Å; L143-E347 HydrophobicContact CG-CG 4.44Å; N148-E347 WeakPolarHBondContact CA-OE2 3.5Å; N148-E347 PolarHBondContact N-OE2 3.37Å; A149-E347 HydrophobicContact CB-CB 3.83Å; A149-E347 HydrophobicContact CB-CG 4.29Å; A149-E347 WeakPolarHBondContact CB-OE1 3.4Å; A149-E347 PolarHBondContact N-OE2 3.21Å; Y317-E347 WeakPolarHBondContact CE2-OE1 3.41Å; Y317-E347 PolarHBondContact OH-OE1 3.37Å; T343-E347 PolarHBondContact O-N 3.25Å; A344-E347 PolarHBondContact O-N 2.97Å; A344-E347 VanDerWaalsContact O-N 3.1Å; A345-E347 PolarHBondContact O-N 2.95Å
348	L	97.9	Very high	98.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-95.8	-19	-173.2	-64	175.8	0	0	0	114.1	A149 P150 L153 Y192 S195 Q196 F225 A344 A345	A149-L348 HydrophobicContact CB-CG 4.5Å; P150-L348 HydrophobicContact CG-CD2 4.03Å; L153-L348 HydrophobicContact CD2-CD1 3.99Å; Y192-L348 HydrophobicContact CD2-CD1 4.38Å; S195-L348 CarbonylContact C-O 3.44Å; S195-L348 WeakPolarHBondContact CA-O 3.24Å; S195-L348 PolarHBondContact N-O 3.01Å; S195-L348 VanDerWaalsContact N-O 3.12Å; Q196-L348 PolarHBondContact N-O 3.36Å; F225-L348 HydrophobicContact CZ-CD1 4.26Å; A344-L348 WeakPolarHBondContact O-CG 3.46Å; A344-L348 PolarHBondContact O-N 3.02Å; A345-L348 PolarHBondContact O-N 3.46Å
349	C	98.4	Very high	98.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.3	-170.9	-43.1	0	0	0	0	112.1	K140 F197 C200 A345 V352	K140-C349 WeakPolarHBondContact CE-O 3.49Å; K140-C349 PolarHBondContact NZ-O 3.35Å; F197-C349 HydrophobicContact CB-CB 4.4Å; F197-C349 CarbonylContact O-C 3.15Å; F197-C349 VanDerWaalsContact O-CA 3.22Å; F197-C349 WeakPolarHBondContact O-CA 3.22Å; C200-C349 HydrophobicContact CB-CB 3.61Å; C200-C349 WeakPolarHBondContact CB-SG 3.43Å; C200-C349 WeakPolarHBondContact SG-CB 3.44Å; C200-C349 CovalentContact SG-SG 2Å; C200-C349 PolarHBondContact SG-SG 2.79Å; A345-C349 VanDerWaalsContact O-CB 3.22Å; A345-C349 WeakPolarHBondContact O-CB 3.22Å; A345-C349 PolarHBondContact O-N 2.94Å; A345-C349 PolarHBondContact O-SG 2.98Å; C349-V352 HydrophobicContact CB-CG2 4.1Å
350	E	97.5	Very high	97.9	Very high	98 Å²	98	11.8 Å²	11.8	46%	0.458	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-54.1	172.4	-60.4	-178.9	170.9	0	0	110.5	M131 F197 K198	M131-E350 WeakPolarHBondContact CE-O 3.34Å; F197-E350 PolarHBondContact O-N 3.09Å; K198-E350 WeakPolarHBondContact O-CB 3.45Å
351	E	98.3	Very high	97.6	Very high	60 Å²	60	14.2 Å²	14.2	28%	0.28	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.8	-179.1	-173	177	164.1	0	0	111.2	W129 M131 K198 K199 C200 H353	W129-E351 HydrophobicContact CH2-CG 4.25Å; W129-E351 HydrophobicContact CZ3-CG 4.47Å; W129-E351 WeakPolarHBondContact CZ3-OE1 3.32Å; M131-E351 HydrophobicContact SD-CB 4.03Å; M131-E351 HydrophobicContact SD-CG 4.13Å; K198-E351 WeakPolarHBondContact O-CB 3.46Å; K198-E351 PolarHBondContact O-N 2.94Å; K199-E351 WeakPolarHBondContact CA-O 3.32Å; C200-E351 PolarHBondContact N-O 3.19Å; E351-H353 IonicContact OE1-CD2 3.49Å; E351-H353 IonicContact OE1-CE1 3.46Å; E351-H353 IonicContact OE1-NE2 2.94Å; E351-H353 PolarHBondContact OE1-NE2 3.26Å
352	V	98.8	Very high	97.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.8	-175.9	-178.7	0	0	0	0	111.3	V202 A345 L346 C349 L354 L402 R403	V202-V352 HydrophobicContact CG2-CG1 4.2Å; A345-V352 HydrophobicContact CB-CG1 3.95Å; A345-V352 HydrophobicContact CB-CG2 4.03Å; L346-V352 HydrophobicContact CD2-CB 4.19Å; L346-V352 HydrophobicContact CD2-CG2 3.98Å; L346-V352 HydrophobicContact CG-CG2 4.26Å; C349-V352 HydrophobicContact CB-CG2 4.1Å; V352-L354 HydrophobicContact CG1-CD2 3.93Å; V352-L402 HydrophobicContact CB-CB 4.26Å; V352-L402 WeakPolarHBondContact O-CA 3.43Å; V352-R403 PolarHBondContact O-N 3.01Å
353	H	98.8	Very high	97.2	Very high	2 Å²	2	18 Å²	18	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128	174.3	-73.9	-144.6	0	0	0	110.1	K199 C200 A201 V202 E217 E351 F355 H405	K199-H353 WeakPolarHBondContact CE-CE1 3.39Å; K199-H353 WeakPolarHBondContact CE-ND1 3.45Å; C200-H353 PolarHBondContact O-N 2.99Å; A201-H353 CarbonylContact C-O 3.44Å; A201-H353 WeakPolarHBondContact CA-O 3.48Å; V202-H353 PolarHBondContact N-O 2.95Å; E217-H353 IonicContact OE1-CE1 3.19Å; E217-H353 PolarHBondContact OE1-CE1 2.81Å; E217-H353 IonicContact OE1-ND1 2.64Å; E217-H353 PolarHBondContact OE1-ND1 2.83Å; E351-H353 IonicContact OE1-CD2 3.49Å; E351-H353 IonicContact OE1-CE1 3.46Å; E351-H353 IonicContact OE1-NE2 2.94Å; E351-H353 PolarHBondContact OE1-NE2 3.26Å; H353-F355 HydrophobicContact CB-CD2 4.25Å; H353-F355 HydrophobicContact CB-CE2 3.49Å; H353-F355 VanDerWaalsContact CB-CE2 3.49Å; H353-F355 HydrophobicContact CB-CZ 4.05Å; H353-H405 AromaticContact CE1-NE2 3.79Å; H353-H405 AromaticContact CG-NE2 3.66Å; H353-H405 AromaticContact ND1-CE1 3.82Å; H353-H405 AromaticContact ND1-NE2 3.01Å; H353-H405 PolarHBondContact ND1-NE2 3.22Å
354	L	98.9	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.7	176.4	-57.9	-169.2	0	0	0	110.3	V202 A342 V352 F357 F393 L402 R403 V404 H405	V202-L354 HydrophobicContact CB-CD2 3.67Å; V202-L354 HydrophobicContact CG1-CD2 4.43Å; V202-L354 HydrophobicContact CG2-CD2 3.97Å; A342-L354 HydrophobicContact CB-CD1 4.42Å; A342-L354 HydrophobicContact CB-CD2 3.93Å; V352-L354 HydrophobicContact CG1-CD2 3.93Å; L354-F357 HydrophobicContact CB-CB 4.46Å; L354-F357 HydrophobicContact CB-CD2 3.68Å; L354-F357 HydrophobicContact CB-CE2 4.18Å; L354-F357 HydrophobicContact CB-CG 4.18Å; L354-F357 HydrophobicContact CD1-CD2 4.47Å; L354-F357 HydrophobicContact CD1-CG 4.37Å; L354-F357 HydrophobicContact CD2-CD2 4.43Å; L354-F357 HydrophobicContact CD2-CE2 4.11Å; L354-F357 HydrophobicContact CD2-CZ 4.4Å; L354-F357 HydrophobicContact CG-CD2 4.42Å; L354-F393 HydrophobicContact CD1-CB 4.13Å; L354-F393 HydrophobicContact CD1-CD1 3.86Å; L354-F393 HydrophobicContact CD1-CD2 3.79Å; L354-F393 HydrophobicContact CD1-CE1 4.15Å; L354-F393 HydrophobicContact CD1-CE2 4.1Å; L354-F393 HydrophobicContact CD1-CG 3.67Å; L354-F393 HydrophobicContact CD1-CZ 4.24Å; L354-L402 HydrophobicContact CD1-CD1 3.8Å; L354-L402 HydrophobicContact CD1-CD2 3.95Å; L354-L402 HydrophobicContact CD1-CG 4.5Å; L354-L402 HydrophobicContact CG-CD1 4.1Å; L354-L402 HydrophobicContact CG-CD2 4.45Å; L354-R403 PolarHBondContact N-O 2.94Å; L354-V404 HydrophobicContact CB-CG2 4.47Å; L354-V404 HydrophobicContact CD1-CG2 4.32Å; L354-H405 PolarHBondContact O-N 3.15Å
355	F	98.8	Very high	96.4	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.1	178.4	-65.5	-86.2	0	0	0	109.9	A201 V202 V203 G204 L209 C214 E217 I218 H353 F357 H405	A201-F355 HydrophobicContact CB-CD2 4.05Å; A201-F355 HydrophobicContact CB-CE2 3.87Å; V202-F355 PolarHBondContact O-N 3.31Å; V203-F355 HydrophobicContact CG1-CB 4.45Å; V203-F355 HydrophobicContact CG2-CB 4.46Å; G204-F355 PolarHBondContact N-O 3.13Å; L209-F355 HydrophobicContact CD2-CB 4.05Å; C214-F355 HydrophobicContact CB-CD1 3.97Å; C214-F355 HydrophobicContact CB-CE1 3.99Å; E217-F355 HydrophobicContact CB-CZ 4.42Å; E217-F355 HydrophobicContact CG-CZ 4.04Å; I218-F355 HydrophobicContact CD1-CB 4.11Å; I218-F355 HydrophobicContact CD1-CD1 4.06Å; I218-F355 HydrophobicContact CD1-CD2 4.36Å; I218-F355 HydrophobicContact CD1-CG 3.93Å; I218-F355 HydrophobicContact CG1-CB 4.38Å; I218-F355 HydrophobicContact CG1-CD1 3.88Å; I218-F355 HydrophobicContact CG1-CD2 3.7Å; I218-F355 HydrophobicContact CG1-CE1 4.01Å; I218-F355 HydrophobicContact CG1-CE2 3.81Å; I218-F355 HydrophobicContact CG1-CG 3.72Å; I218-F355 HydrophobicContact CG1-CZ 3.97Å; H353-F355 HydrophobicContact CB-CD2 4.25Å; H353-F355 HydrophobicContact CB-CE2 3.49Å; H353-F355 VanDerWaalsContact CB-CE2 3.49Å; H353-F355 HydrophobicContact CB-CZ 4.05Å; F355-F357 VanDerWaalsContact C-N 3.25Å; F355-F357 VanDerWaalsContact O-CD2 3.22Å; F355-F357 WeakPolarHBondContact O-CD2 3.33Å; F355-F357 PolarHBondContact O-N 3.38Å; F355-H405 HydrophobicContact CD1-CB 3.69Å; F355-H405 AromaticContact CD1-CD2 3.88Å; F355-H405 AromaticContact CD1-CG 3.8Å; F355-H405 HydrophobicContact CE1-CB 3.84Å; F355-H405 AromaticContact CE1-CD2 3.41Å; F355-H405 VanDerWaalsContact CE1-CD2 3.41Å; F355-H405 WeakPolarHBondContact CE1-CD2 3.34Å; F355-H405 AromaticContact CE1-CE1 3.91Å; F355-H405 AromaticContact CE1-CG 3.43Å; F355-H405 VanDerWaalsContact CE1-CG 3.43Å; F355-H405 AromaticContact CE1-ND1 3.81Å; F355-H405 AromaticContact CE1-NE2 3.74Å; F355-H405 HydrophobicContact CG-CB 4.49Å; F355-H405 AromaticContact CZ-CD2 3.52Å; F355-H405 AromaticContact CZ-NE2 3.54Å
356	G	98.2	Very high	96	Very high	4 Å²	4	24.5 Å²	24.5	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	73.3	15	178.3	0	0	0	0	0	114.9	G206 W358	G206-G356 VanDerWaalsContact CA-O 3.23Å; G206-G356 WeakPolarHBondContact CA-O 3.47Å; G206-G356 PolarHBondContact N-O 2.94Å; G356-W358 PolarHBondContact O-N 2.92Å
357	F	98.1	Very high	95.7	Very high	18 Å²	18	29.4 Å²	29.4	8%	0.079	17%	0.173	C	C	.	.			trans	-91	82.6	174.3	-76.1	-97.6	0	0	0	109.7	V202 L354 F355 I390 F393	V202-F357 HydrophobicContact CB-CE2 4.17Å; V202-F357 HydrophobicContact CB-CZ 4.42Å; V202-F357 HydrophobicContact CG1-CE2 3.84Å; V202-F357 HydrophobicContact CG1-CZ 3.7Å; V202-F357 WeakPolarHBondContact O-CE2 3.27Å; L354-F357 HydrophobicContact CB-CB 4.46Å; L354-F357 HydrophobicContact CB-CD2 3.68Å; L354-F357 HydrophobicContact CB-CE2 4.18Å; L354-F357 HydrophobicContact CB-CG 4.18Å; L354-F357 HydrophobicContact CD1-CD2 4.47Å; L354-F357 HydrophobicContact CD1-CG 4.37Å; L354-F357 HydrophobicContact CD2-CD2 4.43Å; L354-F357 HydrophobicContact CD2-CE2 4.11Å; L354-F357 HydrophobicContact CD2-CZ 4.4Å; L354-F357 HydrophobicContact CG-CD2 4.42Å; F355-F357 VanDerWaalsContact C-N 3.25Å; F355-F357 VanDerWaalsContact O-CD2 3.22Å; F355-F357 WeakPolarHBondContact O-CD2 3.33Å; F355-F357 PolarHBondContact O-N 3.38Å; F357-I390 HydrophobicContact CB-CD1 4.2Å; F357-I390 WeakPolarHBondContact O-CD1 3.35Å; F357-F393 HydrophobicContact CB-CD2 4.5Å; F357-F393 AromaticContact CD1-CD2 3.91Å; F357-F393 HydrophobicContact CD1-CD2 3.91Å; F357-F393 AromaticContact CD1-CE2 3.46Å; F357-F393 HydrophobicContact CD1-CE2 3.46Å; F357-F393 VanDerWaalsContact CD1-CE2 3.46Å; F357-F393 HydrophobicContact CD1-CZ 4.43Å; F357-F393 AromaticContact CE1-CE2 3.74Å; F357-F393 HydrophobicContact CE1-CE2 3.74Å; F357-F393 HydrophobicContact CE1-CZ 4.31Å; F357-F393 HydrophobicContact CG-CD2 4.48Å; F357-F393 HydrophobicContact CG-CE2 4.4Å
358	W	96.5	Very high	95.6	Very high	12 Å²	12	38 Å²	38	5%	0.045	21%	0.206	C	C	.	.			trans	-148.3	102.9	176.4	-169.3	-99.1	0	0	0	110.2	F118 I208 G356 F360 M362 P364 I390 T406	F118-W358 AromaticContact CD1-CH2 3.73Å; F118-W358 HydrophobicContact CD1-CH2 3.73Å; F118-W358 AromaticContact CD1-CZ2 3.72Å; F118-W358 HydrophobicContact CD1-CZ2 3.72Å; F118-W358 AromaticContact CE1-CH2 3.8Å; F118-W358 HydrophobicContact CE1-CH2 3.8Å; F118-W358 AromaticContact CE1-CZ2 3.51Å; F118-W358 HydrophobicContact CE1-CZ2 3.51Å; F118-W358 HydrophobicContact CG-CZ2 4.4Å; F118-W358 HydrophobicContact CZ-CZ2 4.02Å; I208-W358 HydrophobicContact CB-CB 3.77Å; I208-W358 HydrophobicContact CB-CG 4.21Å; I208-W358 HydrophobicContact CD1-CG 4.46Å; I208-W358 HydrophobicContact CG1-CB 4.18Å; I208-W358 HydrophobicContact CG1-CG 4.27Å; I208-W358 HydrophobicContact CG2-CB 3.62Å; G356-W358 PolarHBondContact O-N 2.92Å; W358-F360 AromaticContact CD2-CD2 3.88Å; W358-F360 HydrophobicContact CD2-CD2 3.88Å; W358-F360 AromaticContact CE2-CD2 3.61Å; W358-F360 HydrophobicContact CE3-CD2 4.08Å; W358-F360 HydrophobicContact CE3-CE2 4.44Å; W358-F360 AromaticContact CH2-CD2 3.81Å; W358-F360 HydrophobicContact CH2-CD2 3.81Å; W358-F360 HydrophobicContact CH2-CE2 4.13Å; W358-F360 HydrophobicContact CZ2-CB 4.28Å; W358-F360 AromaticContact CZ2-CD2 3.59Å; W358-F360 HydrophobicContact CZ2-CD2 3.59Å; W358-F360 HydrophobicContact CZ2-CE2 4.36Å; W358-F360 HydrophobicContact CZ2-CG 4.31Å; W358-F360 HydrophobicContact CZ3-CD2 4.04Å; W358-F360 HydrophobicContact CZ3-CE2 4.17Å; W358-M362 PolarHBondContact NE1-O 3.4Å; W358-P364 HydrophobicContact CH2-CG 3.85Å; W358-P364 HydrophobicContact CZ2-CG 3.84Å; W358-P364 HydrophobicContact CZ3-CG 4.38Å; W358-I390 HydrophobicContact CE3-CG1 4.27Å; W358-T406 HydrophobicContact CD2-CG2 4.45Å; W358-T406 HydrophobicContact CE3-CG2 3.64Å; W358-T406 HydrophobicContact CZ3-CG2 3.97Å
359	A	93.5	Very high	95.6	Very high	28 Å²	28	39.8 Å²	39.8	23%	0.231	22%	0.215	C	C	.	.			trans	-98.4	18.3	-171.6	0	0	0	0	0	113.5	M386 P387 I390	A359-M386 HydrophobicContact CB-CB 3.49Å; A359-M386 VanDerWaalsContact CB-CB 3.49Å; A359-P387 HydrophobicContact CB-CG 4.45Å; A359-I390 HydrophobicContact CB-CG2 4.05Å
360	F	94.4	Very high	95.5	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.226	C	C	.	.	S	Bend	trans	-100.7	152.3	177	-57.5	-72.6	0	0	0	111.2	L109 L117 F118 W358 M362 P387 I390	L109-F360 HydrophobicContact CD1-CZ 4.48Å; L117-F360 HydrophobicContact CD2-CZ 4.05Å; F118-F360 HydrophobicContact CE1-CB 4.06Å; F118-F360 HydrophobicContact CE1-CD1 4.07Å; F118-F360 AromaticContact CE1-CD2 3.67Å; F118-F360 HydrophobicContact CE1-CD2 3.67Å; F118-F360 HydrophobicContact CE1-CE1 4.44Å; F118-F360 HydrophobicContact CE1-CE2 4.07Å; F118-F360 AromaticContact CE1-CG 3.66Å; F118-F360 HydrophobicContact CE1-CG 3.66Å; F118-F360 HydrophobicContact CE1-CZ 4.45Å; F118-F360 HydrophobicContact CZ-CB 3.61Å; F118-F360 HydrophobicContact CZ-CD1 4.06Å; F118-F360 HydrophobicContact CZ-CD2 4.14Å; F118-F360 AromaticContact CZ-CG 3.68Å; F118-F360 HydrophobicContact CZ-CG 3.68Å; W358-F360 AromaticContact CD2-CD2 3.88Å; W358-F360 HydrophobicContact CD2-CD2 3.88Å; W358-F360 AromaticContact CE2-CD2 3.61Å; W358-F360 HydrophobicContact CE3-CD2 4.08Å; W358-F360 HydrophobicContact CE3-CE2 4.44Å; W358-F360 AromaticContact CH2-CD2 3.81Å; W358-F360 HydrophobicContact CH2-CD2 3.81Å; W358-F360 HydrophobicContact CH2-CE2 4.13Å; W358-F360 HydrophobicContact CZ2-CB 4.28Å; W358-F360 AromaticContact CZ2-CD2 3.59Å; W358-F360 HydrophobicContact CZ2-CD2 3.59Å; W358-F360 HydrophobicContact CZ2-CE2 4.36Å; W358-F360 HydrophobicContact CZ2-CG 4.31Å; W358-F360 HydrophobicContact CZ3-CD2 4.04Å; W358-F360 HydrophobicContact CZ3-CE2 4.17Å; F360-M362 VanDerWaalsContact C-N 3.27Å; F360-M362 PolarHBondContact O-N 3.09Å; F360-P387 HydrophobicContact CE1-CB 4.15Å; F360-I390 HydrophobicContact CD2-CG2 4.29Å; F360-I390 HydrophobicContact CE2-CG1 4.35Å; F360-I390 HydrophobicContact CE2-CG2 3.57Å; F360-I390 HydrophobicContact CZ-CG2 3.83Å
361	P	92.3	Very high	95.4	Very high	56 Å²	56	38.5 Å²	38.5	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-71.9	-19.8	-178.2	29.1	-35.8	0	0	0	113.8	Y368 I369	P361-Y368 HydrophobicContact CB-CD1 4.33Å; P361-Y368 HydrophobicContact CB-CE1 4.39Å; P361-Y368 WeakPolarHBondContact O-CA 3.29Å; P361-I369 PolarHBondContact O-N 3.31Å
362	M	94.6	Very high	95.4	Very high	49 Å²	49	37.2 Å²	37.2	24%	0.241	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-118.4	148.3	178.1	-62.7	162.7	-176	0	0	109.7	F118 W358 F360 L367 Y368	F118-M362 HydrophobicContact CE2-CB 4.11Å; W358-M362 PolarHBondContact NE1-O 3.4Å; F360-M362 VanDerWaalsContact C-N 3.27Å; F360-M362 PolarHBondContact O-N 3.09Å; M362-L367 CarbonylContact C-O 3.47Å; M362-L367 WeakPolarHBondContact CA-O 3.45Å; M362-Y368 HydrophobicContact CE-CD1 4.31Å; M362-Y368 HydrophobicContact CE-CD2 4.41Å; M362-Y368 HydrophobicContact CE-CE1 3.56Å; M362-Y368 HydrophobicContact CE-CE2 3.68Å; M362-Y368 WeakPolarHBondContact CE-OH 3.48Å; M362-Y368 HydrophobicContact CG-CD1 3.87Å; M362-Y368 HydrophobicContact CG-CE1 4Å; M362-Y368 HydrophobicContact CG-CG 4.18Å
363	N	93.8	Very high	95.3	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	21%	0.206	C	C	.	.			trans	-68.1	172.5	167.9	73.1	5.2	0	0	0	111.2	I208 S365 G366 L367 I369	I208-N363 HydrophobicContact CD1-CB 3.62Å; N363-S365 PolarHBondContact O-N 2.6Å; N363-S365 WeakPolarHBondContact OD1-CA 3.43Å; N363-S365 WeakPolarHBondContact OD1-CB 3.48Å; N363-S365 PolarHBondContact OD1-N 3.15Å; N363-G366 PolarHBondContact O-N 3.48Å; N363-G366 PolarHBondContact OD1-N 3Å; N363-G366 VanDerWaalsContact OD1-N 3.15Å; N363-L367 PolarHBondContact N-O 2.98Å; N363-L367 PolarHBondContact OD1-N 2.98Å; N363-L367 PolarHBondContact OD1-O 3.02Å; N363-I369 HydrophobicContact CB-CG2 3.93Å
364	P	92.3	Very high	95.3	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.084	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19	177.2	-27.3	36.2	0	0	0	115.3	K122 W358 G366	K122-P364 VanDerWaalsContact CE-O 3.26Å; K122-P364 WeakPolarHBondContact CE-O 3.38Å; W358-P364 HydrophobicContact CH2-CG 3.85Å; W358-P364 HydrophobicContact CZ2-CG 3.84Å; W358-P364 HydrophobicContact CZ3-CG 4.38Å; P364-G366 VanDerWaalsContact C-N 3.31Å
365	S	89.4	Confident	95.1	Very high	88 Å²	88	42.1 Å²	42.1	62%	0.615	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.3	174.7	-50.5	0	0	0	0	113.5	N363 L367	N363-S365 PolarHBondContact O-N 2.6Å; N363-S365 WeakPolarHBondContact OD1-CA 3.43Å; N363-S365 WeakPolarHBondContact OD1-CB 3.48Å; N363-S365 PolarHBondContact OD1-N 3.15Å; S365-L367 VanDerWaalsContact C-N 3.34Å
366	G	89.8	Confident	95	Very high	36 Å²	36	46.3 Å²	46.3	37%	0.371	25%	0.251	S	S	.	.	S	Bend	trans	82.1	5.5	-179.6	0	0	0	0	0	114.9	N363 P364	N363-G366 PolarHBondContact O-N 3.48Å; N363-G366 PolarHBondContact OD1-N 3Å; N363-G366 VanDerWaalsContact OD1-N 3.15Å; P364-G366 VanDerWaalsContact C-N 3.31Å
367	L	92.6	Very high	94.7	Very high	113 Å²	113	50.5 Å²	50.5	59%	0.592	28%	0.275	S	S	*	.			trans	-85.5	132	178.3	-60	176	0	0	0	110.6	M362 N363 S365 I369	M362-L367 CarbonylContact C-O 3.47Å; M362-L367 WeakPolarHBondContact CA-O 3.45Å; N363-L367 PolarHBondContact N-O 2.98Å; N363-L367 PolarHBondContact OD1-N 2.98Å; N363-L367 PolarHBondContact OD1-O 3.02Å; S365-L367 VanDerWaalsContact C-N 3.34Å; L367-I369 PolarHBondContact O-N 3.33Å
368	Y	95.4	Very high	94.4	Very high	181 Å²	181	55.1 Å²	55.1	71%	0.71	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-60.9	135.1	176.7	-75.5	-77.9	0	0	0	111.9	P361 M362	P361-Y368 HydrophobicContact CB-CD1 4.33Å; P361-Y368 HydrophobicContact CB-CE1 4.39Å; P361-Y368 WeakPolarHBondContact O-CA 3.29Å; M362-Y368 HydrophobicContact CE-CD1 4.31Å; M362-Y368 HydrophobicContact CE-CD2 4.41Å; M362-Y368 HydrophobicContact CE-CE1 3.56Å; M362-Y368 HydrophobicContact CE-CE2 3.68Å; M362-Y368 WeakPolarHBondContact CE-OH 3.48Å; M362-Y368 HydrophobicContact CG-CD1 3.87Å; M362-Y368 HydrophobicContact CG-CE1 4Å; M362-Y368 HydrophobicContact CG-CG 4.18Å
369	I	96.3	Very high	94	Very high	36 Å²	36	57 Å²	57	19%	0.185	31%	0.309	C	S	.	.			trans	-125	157.9	177.1	63.3	172.7	0	0	0	111	I208 P361 N363 L367	I208-I369 HydrophobicContact CB-CD1 4.11Å; I208-I369 HydrophobicContact CD1-CD1 4.23Å; P361-I369 PolarHBondContact O-N 3.31Å; N363-I369 HydrophobicContact CB-CG2 3.93Å; L367-I369 PolarHBondContact O-N 3.33Å
370	T	96.9	Very high	93.6	Very high	37 Å²	37	65.3 Å²	65.3	23%	0.227	34%	0.335	C	S	.	.			trans	-70.1	160.1	173.8	53.1	0	0	0	0	111.3	G207 K210 H372 D375 N376	G207-T370 WeakPolarHBondContact CA-O 3.34Å; K210-T370 VanDerWaalsContact CE-OG1 3.29Å; K210-T370 WeakPolarHBondContact CE-OG1 3.44Å; K210-T370 PolarHBondContact NZ-OG1 3.46Å; T370-H372 WeakPolarHBondContact CB-O 3.36Å; T370-H372 PolarHBondContact OG1-O 3.06Å; T370-D375 WeakPolarHBondContact CB-O 3.38Å; T370-N376 WeakPolarHBondContact CA-OD1 3.48Å; T370-N376 HydrophobicContact CG2-CB 3.97Å
371	H	96	Very high	93.3	Very high	35 Å²	35	70.6 Å²	70.6	16%	0.162	37%	0.37	C	S	.	.	S	Bend	trans	-62.7	-49.9	176.4	-169.5	50.5	0	0	0	112	G206 G207 N376 V377 K378	G206-H371 WeakPolarHBondContact CA-O 3.37Å; G207-H371 PolarHBondContact N-O 3.41Å; H371-N376 PolarHBondContact N-OD1 2.03Å; H371-V377 PolarHBondContact CD2-O 3Å; H371-K378 HydrophobicContact CB-CD 3.92Å
372	H	97.7	Very high	93.1	Very high	33 Å²	33	71.4 Å²	71.4	15%	0.153	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-106.3	162.5	177.2	-58.9	126.8	0	0	0	111.6	N205 G207 T370 Y374 D375 V377	N205-H372 CarbonylContact O-C 3.41Å; N205-H372 WeakPolarHBondContact O-CA 3.48Å; G207-H372 VanDerWaalsContact CA-C 3.47Å; G207-H372 WeakPolarHBondContact CA-O 3.4Å; T370-H372 WeakPolarHBondContact CB-O 3.36Å; T370-H372 PolarHBondContact OG1-O 3.06Å; H372-Y374 HydrophobicContact CB-CD1 4.07Å; H372-Y374 HydrophobicContact CB-CD2 4.06Å; H372-Y374 HydrophobicContact CB-CE1 3.87Å; H372-Y374 HydrophobicContact CB-CE2 3.82Å; H372-Y374 HydrophobicContact CB-CG 4.18Å; H372-Y374 AromaticContact CG-CE2 3.87Å; H372-Y374 AromaticContact CG-CZ 3.67Å; H372-Y374 AromaticContact ND1-CE2 3.81Å; H372-Y374 AromaticContact ND1-CZ 3.95Å; H372-Y374 PolarHBondContact O-N 3.45Å; H372-D375 CarbonylContact C-O 3.58Å; H372-D375 IonicContact CE1-OD1 3.9Å; H372-D375 IonicContact CG-OD1 2.58Å; H372-D375 PolarHBondContact N-O 3.2Å; H372-D375 VanDerWaalsContact N-O 3.16Å; H372-D375 IonicContact ND1-OD1 3.75Å; H372-D375 PolarHBondContact ND1-OD1 3.38Å; H372-D375 IonicContact ND1-OD2 2.71Å; H372-V377 PolarHBondContact CE1-O 3.44Å
373	Y	97.8	Very high	92.8	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.008	39%	0.386	C	S	.	.	S	Bend	trans	-71.8	-17.6	171.4	69.5	-101.7	0	0	0	112.8	N205 L209 K210 P230 P231 Y236 V240	N205-Y373 HydrophobicContact CB-CE1 4.45Å; N205-Y373 WeakPolarHBondContact O-CD1 3.32Å; N205-Y373 PolarHBondContact O-N 3.11Å; L209-Y373 HydrophobicContact CD1-CD1 4.06Å; K210-Y373 VanDerWaalsContact CE-C 3.46Å; K210-Y373 WeakPolarHBondContact CE-O 3.14Å; P230-Y373 HydrophobicContact CB-CE1 4.15Å; P230-Y373 VanDerWaalsContact CB-OH 3.29Å; P230-Y373 WeakPolarHBondContact CB-OH 3.44Å; P231-Y373 PolarHBondContact O-OH 3.37Å; P231-Y373 VanDerWaalsContact O-OH 3.12Å; Y236-Y373 AromaticContact CD1-CD2 3.66Å; Y236-Y373 HydrophobicContact CD1-CD2 3.66Å; Y236-Y373 AromaticContact CD1-CE2 3.99Å; Y236-Y373 HydrophobicContact CD1-CE2 3.99Å; Y236-Y373 HydrophobicContact CD2-CE2 4.22Å; Y236-Y373 HydrophobicContact CE1-CD2 4.09Å; Y236-Y373 WeakPolarHBondContact CE1-O 3.37Å; Y236-Y373 AromaticContact CG-CD2 3.96Å; Y236-Y373 HydrophobicContact CG-CD2 3.96Å; Y236-Y373 AromaticContact CG-CE2 3.79Å; Y236-Y373 HydrophobicContact CG-CE2 3.79Å; V240-Y373 HydrophobicContact CG1-CD1 4.15Å; V240-Y373 HydrophobicContact CG1-CD2 4.07Å; V240-Y373 HydrophobicContact CG1-CE1 4.04Å; V240-Y373 HydrophobicContact CG1-CE2 3.96Å; V240-Y373 HydrophobicContact CG1-CG 4.16Å; V240-Y373 HydrophobicContact CG2-CE2 4.3Å
374	Y	97	Very high	92.7	Very high	50 Å²	50	72.4 Å²	72.4	20%	0.196	39%	0.391	C	S	.	.	S	Bend	trans	-108.3	-21.7	-178	49.4	-94.4	0	0	0	114.7	N205 P230 P231 H372	N205-Y374 HydrophobicContact CB-CE1 3.93Å; N205-Y374 PolarHBondContact ND2-OH 3.32Å; P230-Y374 HydrophobicContact CB-CD1 4.45Å; P230-Y374 HydrophobicContact CB-CE1 3.74Å; P231-Y374 VanDerWaalsContact CD-CD1 3.45Å; P231-Y374 VanDerWaalsContact CG-CB 3.41Å; P231-Y374 HydrophobicContact CG-CD1 3.71Å; P231-Y374 HydrophobicContact CG-CD2 4.02Å; P231-Y374 HydrophobicContact CG-CE1 4.45Å; P231-Y374 HydrophobicContact CG-CG 3.43Å; P231-Y374 VanDerWaalsContact CG-CG 3.43Å; H372-Y374 HydrophobicContact CB-CD1 4.07Å; H372-Y374 HydrophobicContact CB-CD2 4.06Å; H372-Y374 HydrophobicContact CB-CE1 3.87Å; H372-Y374 HydrophobicContact CB-CE2 3.82Å; H372-Y374 HydrophobicContact CB-CG 4.18Å; H372-Y374 AromaticContact CG-CE2 3.87Å; H372-Y374 AromaticContact CG-CZ 3.67Å; H372-Y374 AromaticContact ND1-CE2 3.81Å; H372-Y374 AromaticContact ND1-CZ 3.95Å; H372-Y374 PolarHBondContact O-N 3.45Å
375	D	95.6	Very high	92.8	Very high	55 Å²	55	72.9 Å²	72.9	29%	0.294	40%	0.395	S	S	.	.			trans	-153.1	-171.3	178.2	69.6	37.8	0	0	0	111.9	T370 H372 V377	T370-D375 WeakPolarHBondContact CB-O 3.38Å; H372-D375 CarbonylContact C-O 3.58Å; H372-D375 IonicContact CE1-OD1 3.9Å; H372-D375 IonicContact CG-OD1 2.58Å; H372-D375 PolarHBondContact N-O 3.2Å; H372-D375 VanDerWaalsContact N-O 3.16Å; H372-D375 IonicContact ND1-OD1 3.75Å; H372-D375 PolarHBondContact ND1-OD1 3.38Å; H372-D375 IonicContact ND1-OD2 2.71Å; D375-V377 HydrophobicContact CB-CG2 4.4Å; D375-V377 WeakPolarHBondContact OD1-CB 3.5Å; D375-V377 PolarHBondContact OD1-N 3.3Å
376	N	96.2	Very high	93.1	Very high	88 Å²	88	70.7 Å²	70.7	47%	0.471	38%	0.376	S	S	.	.			trans	-122.2	26.9	173.2	-163.5	29.9	0	0	0	113.3	T370 H371 K378	T370-N376 WeakPolarHBondContact CA-OD1 3.48Å; T370-N376 HydrophobicContact CG2-CB 3.97Å; H371-N376 PolarHBondContact N-OD1 2.03Å; N376-K378 PolarHBondContact O-N 3.26Å; N376-K378 VanDerWaalsContact OD1-CE 3.31Å; N376-K378 WeakPolarHBondContact OD1-CE 3.47Å; N376-K378 PolarHBondContact OD1-NZ 2.73Å; N376-K378 VanDerWaalsContact OD1-NZ 3.1Å
377	V	92.9	Very high	93.3	Very high	92 Å²	92	71.3 Å²	71.3	56%	0.558	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-67.9	121.6	177.9	177.7	0	0	0	0	108.8	H371 H372 D375	H371-V377 PolarHBondContact CD2-O 3Å; H372-V377 PolarHBondContact CE1-O 3.44Å; D375-V377 HydrophobicContact CB-CG2 4.4Å; D375-V377 WeakPolarHBondContact OD1-CB 3.5Å; D375-V377 PolarHBondContact OD1-N 3.3Å
378	K	90.8	Very high	93.5	Very high	116 Å²	116	67.2 Å²	67.2	50%	0.504	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-84	150.2	-178.8	-62	-65.3	171.9	-173.5	0	110.9	H371 N376	H371-K378 HydrophobicContact CB-CD 3.92Å; N376-K378 PolarHBondContact O-N 3.26Å; N376-K378 VanDerWaalsContact OD1-CE 3.31Å; N376-K378 WeakPolarHBondContact OD1-CE 3.47Å; N376-K378 PolarHBondContact OD1-NZ 2.73Å; N376-K378 VanDerWaalsContact OD1-NZ 3.1Å
379	P	87.9	Confident	93.6	Very high	52 Å²	52	58.8 Å²	58.8	34%	0.338	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-66.6	161.5	175	35.3	-41.3	0	0	0	110	P381 M386	P379-P381 WeakPolarHBondContact O-CD 3.38Å; P379-M386 HydrophobicContact CB-CE 3.96Å; P379-M386 HydrophobicContact CG-CE 3.52Å
380	R	86.8	Confident	93.6	Very high	201 Å²	201	57.3 Å²	57.3	76%	0.758	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-59.4	123.5	170.1	-174.2	176.2	178.3	173	2.2	109.9
381	P	87.7	Confident	93.6	Very high	119 Å²	119	56 Å²	56	77%	0.773	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	143	-180	-25.4	34.5	0	0	0	112.6	P379 F383	P379-P381 WeakPolarHBondContact O-CD 3.38Å; P381-F383 VanDerWaalsContact C-N 3.25Å; P381-F383 PolarHBondContact O-N 2.94Å
382	G	86.6	Confident	93.7	Very high	73 Å²	73	55.3 Å²	55.3	75%	0.753	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	6.4	174.2	0	0	0	0	0	115.9
383	F	88.8	Confident	93.7	Very high	43 Å²	43	53.8 Å²	53.8	19%	0.189	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-47.3	179.8	-160.9	-100	0	0	0	112.6	K333 R334 P381	K333-F383 WeakPolarHBondContact CB-O 3.42Å; K333-F383 HydrophobicContact CD-CD2 4.04Å; K333-F383 HydrophobicContact CD-CE2 4.19Å; K333-F383 PolarHBondContact N-O 3.1Å; R334-F383 HydrophobicContact CB-CD1 4.31Å; R334-F383 HydrophobicContact CB-CE1 3.71Å; R334-F383 HydrophobicContact CB-CZ 3.99Å; R334-F383 HydrophobicContact CG-CE1 4.41Å; R334-F383 PolarHBondContact N-O 3.39Å; P381-F383 VanDerWaalsContact C-N 3.25Å; P381-F383 PolarHBondContact O-N 2.94Å
384	H	92.3	Very high	93.7	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.269	30%	0.295	S	S	.	.			trans	-113.4	155.3	177.9	-58.1	-58.5	0	0	0	111	R334 I335 M386	R334-H384 PolarHBondContact O-ND1 3.31Å; I335-H384 PolarHBondContact O-CE1 3.45Å; I335-H384 PolarHBondContact O-ND1 2.91Å; H384-M386 HydrophobicContact CB-CG 3.83Å
385	A	94.3	Very high	93.8	Very high	22 Å²	22	52.7 Å²	52.7	18%	0.182	29%	0.292	C	S	.	.			trans	-108.4	48.8	172.5	0	0	0	0	0	111.1	R331 A332 P387 S388 E389	R331-A385 WeakPolarHBondContact O-CB 3.3Å; A332-A385 HydrophobicContact CB-CB 3.75Å; A385-P387 VanDerWaalsContact C-CD 3.47Å; A385-P387 VanDerWaalsContact C-N 3.33Å; A385-P387 VanDerWaalsContact O-N 3.14Å; A385-S388 WeakPolarHBondContact O-CA 3.48Å; A385-S388 VanDerWaalsContact O-CB 3.29Å; A385-S388 WeakPolarHBondContact O-CB 3.01Å; A385-S388 PolarHBondContact O-N 3.19Å; A385-E389 PolarHBondContact O-N 3.27Å; A385-E389 VanDerWaalsContact O-N 3.15Å
386	M	94.9	Very high	93.9	Very high	42 Å²	42	50.4 Å²	50.4	21%	0.207	28%	0.28	C	S	.	.	H	α-helix	trans	-53	-37.5	-170.4	-64.3	-172.9	-69.4	0	0	115.1	A359 P379 H384 S388 E389 I390	A359-M386 HydrophobicContact CB-CB 3.49Å; A359-M386 VanDerWaalsContact CB-CB 3.49Å; P379-M386 HydrophobicContact CB-CE 3.96Å; P379-M386 HydrophobicContact CG-CE 3.52Å; H384-M386 HydrophobicContact CB-CG 3.83Å; M386-S388 VanDerWaalsContact C-N 3.28Å; M386-S388 PolarHBondContact O-N 3.27Å; M386-E389 WeakPolarHBondContact O-CB 3.26Å; M386-E389 PolarHBondContact O-N 3.24Å; M386-E389 VanDerWaalsContact O-N 3.14Å; M386-I390 WeakPolarHBondContact O-CG2 3.27Å; M386-I390 PolarHBondContact O-N 2.92Å
387	P	94.8	Very high	94	Very high	50 Å²	50	46.8 Å²	46.8	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-36.9	171.8	-27.9	37.2	0	0	0	113.9	L109 A359 F360 A385 I390 F391	L109-P387 HydrophobicContact CD2-CB 3.82Å; A359-P387 HydrophobicContact CB-CG 4.45Å; F360-P387 HydrophobicContact CE1-CB 4.15Å; A385-P387 VanDerWaalsContact C-CD 3.47Å; A385-P387 VanDerWaalsContact C-N 3.33Å; A385-P387 VanDerWaalsContact O-N 3.14Å; P387-I390 VanDerWaalsContact O-CG2 3.22Å; P387-I390 WeakPolarHBondContact O-CG2 3.27Å; P387-F391 VanDerWaalsContact O-CB 3.29Å; P387-F391 WeakPolarHBondContact O-CB 3.44Å; P387-F391 PolarHBondContact O-N 3.45Å; P387-F391 VanDerWaalsContact O-N 3.1Å
388	S	95.8	Very high	94.3	Very high	26 Å²	26	42.5 Å²	42.5	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-71.9	-33	175.3	179.6	0	0	0	0	112.1	A385 M386 N392	A385-S388 WeakPolarHBondContact O-CA 3.48Å; A385-S388 VanDerWaalsContact O-CB 3.29Å; A385-S388 WeakPolarHBondContact O-CB 3.01Å; A385-S388 PolarHBondContact O-N 3.19Å; M386-S388 VanDerWaalsContact C-N 3.28Å; M386-S388 PolarHBondContact O-N 3.27Å; S388-N392 PolarHBondContact O-N 3.29Å; S388-N392 PolarHBondContact O-ND2 3.4Å
389	E	97.5	Very high	94.6	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-51.5	175.4	-55.4	-179.4	-176.7	0	0	111.2	V330 S336 L339 A385 M386 F391 N392 F393	V330-E389 HydrophobicContact CG1-CG 3.85Å; S336-E389 WeakPolarHBondContact CB-OE2 3.37Å; S336-E389 PolarHBondContact N-OE1 2.94Å; S336-E389 PolarHBondContact OG-OE2 3.39Å; L339-E389 HydrophobicContact CD2-CB 4.4Å; L339-E389 HydrophobicContact CD2-CG 3.81Å; A385-E389 PolarHBondContact O-N 3.27Å; A385-E389 VanDerWaalsContact O-N 3.15Å; M386-E389 WeakPolarHBondContact O-CB 3.26Å; M386-E389 PolarHBondContact O-N 3.24Å; M386-E389 VanDerWaalsContact O-N 3.14Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.02Å; E389-N392 WeakPolarHBondContact O-CB 3.34Å; E389-N392 PolarHBondContact O-N 3.49Å; E389-F393 PolarHBondContact O-N 3.09Å; E389-F393 VanDerWaalsContact O-N 3.14Å
390	I	96.4	Very high	95.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-39.5	177.1	-178.3	52.1	0	0	0	111.7	F357 W358 A359 F360 M386 P387 N392 F393 L394 V404	F357-I390 HydrophobicContact CB-CD1 4.2Å; F357-I390 WeakPolarHBondContact O-CD1 3.35Å; W358-I390 HydrophobicContact CE3-CG1 4.27Å; A359-I390 HydrophobicContact CB-CG2 4.05Å; F360-I390 HydrophobicContact CD2-CG2 4.29Å; F360-I390 HydrophobicContact CE2-CG1 4.35Å; F360-I390 HydrophobicContact CE2-CG2 3.57Å; F360-I390 HydrophobicContact CZ-CG2 3.83Å; M386-I390 WeakPolarHBondContact O-CG2 3.27Å; M386-I390 PolarHBondContact O-N 2.92Å; P387-I390 VanDerWaalsContact O-CG2 3.22Å; P387-I390 WeakPolarHBondContact O-CG2 3.27Å; I390-N392 PolarHBondContact O-N 3.06Å; I390-F393 HydrophobicContact CD1-CB 4.07Å; I390-F393 HydrophobicContact CD1-CD2 4.27Å; I390-F393 CarbonylContact O-C 3.58Å; I390-F393 WeakPolarHBondContact O-CA 3.34Å; I390-F393 WeakPolarHBondContact O-CB 3.16Å; I390-F393 PolarHBondContact O-N 2.64Å; I390-L394 HydrophobicContact CD1-CD2 3.86Å; I390-L394 HydrophobicContact CD1-CG 4.43Å; I390-L394 HydrophobicContact CG1-CD2 4.21Å; I390-L394 HydrophobicContact CG1-CG 4.43Å; I390-L394 WeakPolarHBondContact O-CG 3.29Å; I390-L394 PolarHBondContact O-N 3.03Å; I390-V404 HydrophobicContact CD1-CG1 4.13Å
391	F	97.1	Very high	95.7	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-55.6	-40.7	176.3	176.4	-106.3	0	0	0	112.8	V106 L109 L117 P387 E389 L394 H395	V106-F391 HydrophobicContact CB-CE2 4.25Å; V106-F391 HydrophobicContact CB-CZ 4.26Å; V106-F391 HydrophobicContact CG1-CE2 3.82Å; V106-F391 HydrophobicContact CG1-CZ 3.81Å; V106-F391 WeakPolarHBondContact O-CZ 3.35Å; L109-F391 HydrophobicContact CB-CD1 4.19Å; L109-F391 HydrophobicContact CB-CD2 4.24Å; L109-F391 HydrophobicContact CB-CE1 4.36Å; L109-F391 HydrophobicContact CB-CE2 4.4Å; L109-F391 HydrophobicContact CB-CG 4.07Å; L109-F391 HydrophobicContact CB-CZ 4.41Å; L109-F391 HydrophobicContact CD1-CB 4.3Å; L109-F391 HydrophobicContact CD1-CD2 3.74Å; L109-F391 HydrophobicContact CD1-CE2 4.24Å; L109-F391 HydrophobicContact CD1-CG 4.14Å; L109-F391 HydrophobicContact CD2-CB 4.37Å; L117-F391 HydrophobicContact CD2-CD2 4.23Å; P387-F391 VanDerWaalsContact O-CB 3.29Å; P387-F391 WeakPolarHBondContact O-CB 3.44Å; P387-F391 PolarHBondContact O-N 3.45Å; P387-F391 VanDerWaalsContact O-N 3.1Å; E389-F391 VanDerWaalsContact C-N 3.31Å; E389-F391 PolarHBondContact O-N 3.02Å; F391-L394 PolarHBondContact O-N 2.91Å; F391-H395 AromaticContact CE1-CE1 3.62Å; F391-H395 AromaticContact CE2-CE1 3.59Å; F391-H395 AromaticContact CZ-CE1 3.32Å; F391-H395 WeakPolarHBondContact CZ-CE1 3.26Å; F391-H395 PolarHBondContact O-N 3.03Å; F391-H395 PolarHBondContact O-ND1 3.2Å
392	N	97.9	Very high	96.2	Very high	22 Å²	22	23.6 Å²	23.6	12%	0.118	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-38.4	172.6	-85.4	-85.9	0	0	0	112.2	W325 V330 S388 E389 I390 L394 H395 L396	W325-N392 HydrophobicContact CE3-CB 4.47Å; W325-N392 HydrophobicContact CZ3-CB 3.8Å; V330-N392 WeakPolarHBondContact CG2-ND2 3.36Å; S388-N392 PolarHBondContact O-N 3.29Å; S388-N392 PolarHBondContact O-ND2 3.4Å; E389-N392 WeakPolarHBondContact O-CB 3.34Å; E389-N392 PolarHBondContact O-N 3.49Å; I390-N392 PolarHBondContact O-N 3.06Å; N392-L394 VanDerWaalsContact C-N 3.32Å; N392-L394 PolarHBondContact O-N 3.47Å; N392-H395 WeakPolarHBondContact O-CB 3.49Å; N392-H395 PolarHBondContact O-N 3.01Å; N392-L396 WeakPolarHBondContact O-CG 3.44Å; N392-L396 PolarHBondContact O-N 3.21Å
393	F	98.4	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-33.4	174.1	-60.2	-37.2	0	0	0	113.2	W325 L339 A342 L354 F357 E389 I390 H395 L396 H397 L402 V404	W325-F393 HydrophobicContact CH2-CE1 4.15Å; W325-F393 HydrophobicContact CZ2-CE1 4.4Å; L339-F393 HydrophobicContact CB-CZ 4.49Å; L339-F393 HydrophobicContact CD1-CE1 3.64Å; L339-F393 HydrophobicContact CD1-CE2 4.35Å; L339-F393 HydrophobicContact CD1-CZ 3.35Å; A342-F393 HydrophobicContact CB-CE1 3.98Å; A342-F393 HydrophobicContact CB-CZ 3.74Å; L354-F393 HydrophobicContact CD1-CB 4.13Å; L354-F393 HydrophobicContact CD1-CD1 3.86Å; L354-F393 HydrophobicContact CD1-CD2 3.79Å; L354-F393 HydrophobicContact CD1-CE1 4.15Å; L354-F393 HydrophobicContact CD1-CE2 4.1Å; L354-F393 HydrophobicContact CD1-CG 3.67Å; L354-F393 HydrophobicContact CD1-CZ 4.24Å; F357-F393 HydrophobicContact CB-CD2 4.5Å; F357-F393 AromaticContact CD1-CD2 3.91Å; F357-F393 HydrophobicContact CD1-CD2 3.91Å; F357-F393 AromaticContact CD1-CE2 3.46Å; F357-F393 HydrophobicContact CD1-CE2 3.46Å; F357-F393 VanDerWaalsContact CD1-CE2 3.46Å; F357-F393 HydrophobicContact CD1-CZ 4.43Å; F357-F393 AromaticContact CE1-CE2 3.74Å; F357-F393 HydrophobicContact CE1-CE2 3.74Å; F357-F393 HydrophobicContact CE1-CZ 4.31Å; F357-F393 HydrophobicContact CG-CD2 4.48Å; F357-F393 HydrophobicContact CG-CE2 4.4Å; E389-F393 PolarHBondContact O-N 3.09Å; E389-F393 VanDerWaalsContact O-N 3.14Å; I390-F393 HydrophobicContact CD1-CB 4.07Å; I390-F393 HydrophobicContact CD1-CD2 4.27Å; I390-F393 CarbonylContact O-C 3.58Å; I390-F393 WeakPolarHBondContact O-CA 3.34Å; I390-F393 WeakPolarHBondContact O-CB 3.16Å; I390-F393 PolarHBondContact O-N 2.64Å; F393-H395 VanDerWaalsContact C-N 3.29Å; F393-H395 PolarHBondContact O-N 2.94Å; F393-L396 HydrophobicContact CD1-CD1 4.29Å; F393-L396 PolarHBondContact O-N 2.9Å; F393-H397 WeakPolarHBondContact O-CB 3.12Å; F393-H397 PolarHBondContact O-N 3.49Å; F393-L402 HydrophobicContact CB-CD1 4.44Å; F393-L402 HydrophobicContact CD1-CD2 4.09Å; F393-V404 HydrophobicContact CB-CG2 3.93Å
394	L	97.9	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-35.5	173.2	-53.4	-172.2	0	0	0	111.6	I103 L117 W121 I390 F391 N392 H397 S398 V404	I103-L394 HydrophobicContact CG2-CB 4.31Å; L117-L394 HydrophobicContact CD1-CD1 4.35Å; L117-L394 HydrophobicContact CD2-CD1 4.43Å; L117-L394 HydrophobicContact CG-CD1 4.48Å; W121-L394 HydrophobicContact CD2-CD1 4.47Å; W121-L394 HydrophobicContact CD2-CD2 3.98Å; W121-L394 HydrophobicContact CE3-CB 4.25Å; W121-L394 HydrophobicContact CE3-CD1 4.25Å; W121-L394 HydrophobicContact CE3-CD2 3.77Å; W121-L394 HydrophobicContact CE3-CG 4.28Å; W121-L394 HydrophobicContact CH2-CD2 3.67Å; W121-L394 HydrophobicContact CZ2-CD2 3.89Å; W121-L394 HydrophobicContact CZ3-CB 4.08Å; W121-L394 HydrophobicContact CZ3-CD2 3.61Å; W121-L394 HydrophobicContact CZ3-CG 4.31Å; I390-L394 HydrophobicContact CD1-CD2 3.86Å; I390-L394 HydrophobicContact CD1-CG 4.43Å; I390-L394 HydrophobicContact CG1-CD2 4.21Å; I390-L394 HydrophobicContact CG1-CG 4.43Å; I390-L394 WeakPolarHBondContact O-CG 3.29Å; I390-L394 PolarHBondContact O-N 3.03Å; F391-L394 PolarHBondContact O-N 2.91Å; N392-L394 VanDerWaalsContact C-N 3.32Å; N392-L394 PolarHBondContact O-N 3.47Å; L394-H397 WeakPolarHBondContact O-CB 3.35Å; L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 2.73Å; L394-S398 PolarHBondContact O-OG 2.68Å; L394-V404 HydrophobicContact CD2-CG1 4.48Å
395	H	98.2	Very high	97.5	Very high	29 Å²	29	19.9 Å²	19.9	13%	0.134	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-46.4	173	-78.2	65.9	0	0	0	111.9	L104 V106 F391 N392 F393 H397 S398 R399	L104-H395 HydrophobicContact CD2-CB 4.23Å; V106-H395 PolarHBondContact O-CE1 3.25Å; V106-H395 PolarHBondContact O-NE2 2.94Å; F391-H395 AromaticContact CE1-CE1 3.62Å; F391-H395 AromaticContact CE2-CE1 3.59Å; F391-H395 AromaticContact CZ-CE1 3.32Å; F391-H395 WeakPolarHBondContact CZ-CE1 3.26Å; F391-H395 PolarHBondContact O-N 3.03Å; F391-H395 PolarHBondContact O-ND1 3.2Å; N392-H395 WeakPolarHBondContact O-CB 3.49Å; N392-H395 PolarHBondContact O-N 3.01Å; F393-H395 VanDerWaalsContact C-N 3.29Å; F393-H395 PolarHBondContact O-N 2.94Å; H395-H397 VanDerWaalsContact C-N 3.28Å; H395-H397 PolarHBondContact O-N 3.33Å; H395-S398 PolarHBondContact O-N 3.42Å; H395-R399 WeakPolarHBondContact O-CG 3.46Å; H395-R399 PolarHBondContact O-N 2.96Å; H395-R399 VanDerWaalsContact O-N 3.09Å
396	L	98.6	Very high	97.5	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-64	-35.9	177.3	-65.1	179.9	0	0	0	111.8	F139 W325 N392 F393 R399 G400 I401 L402	F139-L396 HydrophobicContact CD2-CD2 4.04Å; F139-L396 HydrophobicContact CE1-CD1 4.22Å; F139-L396 HydrophobicContact CE1-CD2 4.44Å; F139-L396 HydrophobicContact CE2-CD2 3.65Å; F139-L396 HydrophobicContact CZ-CD1 3.97Å; F139-L396 HydrophobicContact CZ-CD2 3.88Å; W325-L396 HydrophobicContact CH2-CD1 3.83Å; N392-L396 WeakPolarHBondContact O-CG 3.44Å; N392-L396 PolarHBondContact O-N 3.21Å; F393-L396 HydrophobicContact CD1-CD1 4.29Å; F393-L396 PolarHBondContact O-N 2.9Å; L396-R399 PolarHBondContact O-N 3.25Å; L396-G400 PolarHBondContact O-N 3.15Å; L396-I401 HydrophobicContact CB-CB 4.2Å; L396-I401 HydrophobicContact CB-CG2 4.46Å; L396-I401 HydrophobicContact CD2-CB 4.26Å; L396-I401 HydrophobicContact CD2-CD1 3.57Å; L396-I401 HydrophobicContact CD2-CG2 4.17Å; L396-I401 PolarHBondContact O-N 2.72Å; L396-L402 HydrophobicContact CB-CD1 4.29Å; L396-L402 HydrophobicContact CB-CD2 4.03Å; L396-L402 HydrophobicContact CB-CG 3.8Å; L396-L402 HydrophobicContact CD1-CD2 3.79Å; L396-L402 HydrophobicContact CD1-CG 4.48Å
397	H	98.6	Very high	97.4	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-58.4	-50.9	170.5	-178.9	107.6	0	0	0	112.3	W121 W129 F393 L394 H395 R399 G400 L402 V404	W121-H397 HydrophobicContact CH2-CB 4.07Å; W121-H397 AromaticContact CH2-CD2 3.67Å; W121-H397 AromaticContact CH2-CE1 3.79Å; W121-H397 AromaticContact CH2-CG 3.56Å; W121-H397 AromaticContact CH2-ND1 3.64Å; W121-H397 AromaticContact CH2-NE2 3.83Å; W121-H397 HydrophobicContact CZ3-CB 4.22Å; W121-H397 AromaticContact CZ3-CD2 3.74Å; W121-H397 AromaticContact CZ3-CG 3.91Å; W129-H397 AromaticContact CD1-CD2 3.82Å; W129-H397 AromaticContact CD1-CE1 3.39Å; W129-H397 AromaticContact CD1-ND1 3.75Å; W129-H397 AromaticContact CD1-NE2 3.42Å; W129-H397 AromaticContact NE1-ND1 3.94Å; W129-H397 PolarHBondContact NE1-O 3.36Å; F393-H397 WeakPolarHBondContact O-CB 3.12Å; F393-H397 PolarHBondContact O-N 3.49Å; L394-H397 WeakPolarHBondContact O-CB 3.35Å; H395-H397 VanDerWaalsContact C-N 3.28Å; H395-H397 PolarHBondContact O-N 3.33Å; H397-R399 PolarHBondContact O-N 3.43Å; H397-G400 PolarHBondContact O-N 2.99Å; H397-L402 VanDerWaalsContact CA-O 3.24Å; H397-L402 WeakPolarHBondContact CA-O 3.28Å; H397-V404 HydrophobicContact CB-CG2 4.08Å; H397-V404 PolarHBondContact ND1-N 2.93Å; H397-V404 VanDerWaalsContact ND1-N 3.11Å
398	S	98.4	Very high	97.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-23.9	-177.5	-55.8	0	0	0	0	112.7	R100 I103 L124 L394 H395	R100-S398 VanDerWaalsContact CD-O 3.29Å; R100-S398 WeakPolarHBondContact CD-O 3.4Å; I103-S398 WeakPolarHBondContact CG2-OG 3.38Å; L124-S398 WeakPolarHBondContact CD2-OG 3.42Å; L394-S398 WeakPolarHBondContact O-CB 3.41Å; L394-S398 PolarHBondContact O-N 2.73Å; L394-S398 PolarHBondContact O-OG 2.68Å; H395-S398 PolarHBondContact O-N 3.42Å
399	R	98.1	Very high	97.2	Very high	89 Å²	89	21.5 Å²	21.5	34%	0.336	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.4	172.6	-69.5	171.9	66.9	-176.6	4	114.3	L104 N132 E135 H395 L396 H397 I401	L104-R399 HydrophobicContact CD1-CG 4.32Å; L104-R399 HydrophobicContact CD2-CG 3.98Å; N132-R399 VanDerWaalsContact CB-O 3.27Å; N132-R399 WeakPolarHBondContact CB-O 3.22Å; E135-R399 IonicContact OE2-CZ 2.68Å; E135-R399 IonicContact OE2-NE 2.86Å; E135-R399 PolarHBondContact OE2-NE 3.5Å; E135-R399 IonicContact OE2-NH2 3Å; E135-R399 PolarHBondContact OE2-NH2 2.99Å; H395-R399 WeakPolarHBondContact O-CG 3.46Å; H395-R399 PolarHBondContact O-N 2.96Å; H395-R399 VanDerWaalsContact O-N 3.09Å; L396-R399 PolarHBondContact O-N 3.25Å; H397-R399 PolarHBondContact O-N 3.43Å; R399-I401 HydrophobicContact CB-CD1 3.84Å; R399-I401 HydrophobicContact CB-CG1 4.01Å
400	G	98.3	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	23.6	-174.7	0	0	0	0	0	114.4	Y91 M131 N132 L396 H397	Y91-G400 WeakPolarHBondContact OH-CA 3.45Å; M131-G400 WeakPolarHBondContact CA-O 3.34Å; M131-G400 WeakPolarHBondContact CG-O 3.46Å; N132-G400 PolarHBondContact N-O 3.02Å; L396-G400 PolarHBondContact O-N 3.15Å; H397-G400 PolarHBondContact O-N 2.99Å
401	I	98.7	Very high	94.3	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	18%	0.177	C	C	.	.	S	Bend	trans	-83.7	-37.2	-179.5	-67.6	167.6	0	0	0	111.7	E135 F139 L346 L396 R399	E135-I401 HydrophobicContact CB-CD1 4.4Å; E135-I401 HydrophobicContact CB-CG1 3.93Å; F139-I401 HydrophobicContact CB-CD1 4.13Å; F139-I401 HydrophobicContact CB-CG1 4.49Å; F139-I401 HydrophobicContact CB-CG2 3.98Å; F139-I401 HydrophobicContact CD1-CG2 3.89Å; F139-I401 HydrophobicContact CD2-CD1 4.11Å; F139-I401 HydrophobicContact CG-CD1 4.22Å; F139-I401 HydrophobicContact CG-CG2 3.93Å; L346-I401 HydrophobicContact CD2-CG2 4.11Å; L396-I401 HydrophobicContact CB-CB 4.2Å; L396-I401 HydrophobicContact CB-CG2 4.46Å; L396-I401 HydrophobicContact CD2-CB 4.26Å; L396-I401 HydrophobicContact CD2-CD1 3.57Å; L396-I401 HydrophobicContact CD2-CG2 4.17Å; L396-I401 PolarHBondContact O-N 2.72Å; R399-I401 HydrophobicContact CB-CD1 3.84Å; R399-I401 HydrophobicContact CB-CG1 4.01Å
402	L	98.7	Very high	91.9	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-146.9	162.9	173	58.4	78.4	0	0	0	109.5	W129 L346 V352 L354 F393 L396 H397 V404	W129-L402 WeakPolarHBondContact CZ2-O 3.43Å; W129-L402 PolarHBondContact NE1-O 3.11Å; L346-L402 HydrophobicContact CD1-CD2 4Å; L346-L402 HydrophobicContact CD2-CB 4.21Å; L346-L402 HydrophobicContact CD2-CD2 4.27Å; V352-L402 HydrophobicContact CB-CB 4.26Å; V352-L402 WeakPolarHBondContact O-CA 3.43Å; L354-L402 HydrophobicContact CD1-CD1 3.8Å; L354-L402 HydrophobicContact CD1-CD2 3.95Å; L354-L402 HydrophobicContact CD1-CG 4.5Å; L354-L402 HydrophobicContact CG-CD1 4.1Å; L354-L402 HydrophobicContact CG-CD2 4.45Å; F393-L402 HydrophobicContact CB-CD1 4.44Å; F393-L402 HydrophobicContact CD1-CD2 4.09Å; L396-L402 HydrophobicContact CB-CD1 4.29Å; L396-L402 HydrophobicContact CB-CD2 4.03Å; L396-L402 HydrophobicContact CB-CG 3.8Å; L396-L402 HydrophobicContact CD1-CD2 3.79Å; L396-L402 HydrophobicContact CD1-CG 4.48Å; H397-L402 VanDerWaalsContact CA-O 3.24Å; H397-L402 WeakPolarHBondContact CA-O 3.28Å; L402-V404 HydrophobicContact CD1-CG2 3.44Å; L402-V404 VanDerWaalsContact CD1-CG2 3.44Å
403	R	98.6	Very high	91.6	Very high	79 Å²	79	38.8 Å²	38.8	30%	0.298	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.9	174.3	-167.9	173.3	173.1	178.1	-6.6	110.1	W129 V352 L354 H405	W129-R403 HydrophobicContact CB-CG 4.45Å; W129-R403 HydrophobicContact CD2-CB 3.81Å; W129-R403 HydrophobicContact CD2-CG 3.74Å; W129-R403 HydrophobicContact CE3-CB 3.99Å; W129-R403 HydrophobicContact CE3-CG 4.02Å; W129-R403 HydrophobicContact CG-CB 4.44Å; W129-R403 HydrophobicContact CG-CG 3.93Å; W129-R403 HydrophobicContact CH2-CB 3.96Å; W129-R403 HydrophobicContact CZ2-CB 3.82Å; W129-R403 HydrophobicContact CZ3-CB 4.04Å; V352-R403 PolarHBondContact O-N 3.01Å; L354-R403 PolarHBondContact N-O 2.94Å; R403-H405 PolarHBondContact NE-CE1 3Å; R403-H405 VanDerWaalsContact NE-CE1 3.29Å
404	V	98.4	Very high	91.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	176.4	-179.1	0	0	0	0	106.7	W121 L354 I390 F393 L394 H397 L402 T406	W121-V404 HydrophobicContact CH2-CB 4.11Å; W121-V404 HydrophobicContact CZ2-CB 4.26Å; W121-V404 HydrophobicContact CZ2-CG1 4.32Å; L354-V404 HydrophobicContact CB-CG2 4.47Å; L354-V404 HydrophobicContact CD1-CG2 4.32Å; I390-V404 HydrophobicContact CD1-CG1 4.13Å; F393-V404 HydrophobicContact CB-CG2 3.93Å; L394-V404 HydrophobicContact CD2-CG1 4.48Å; H397-V404 HydrophobicContact CB-CG2 4.08Å; H397-V404 PolarHBondContact ND1-N 2.93Å; H397-V404 VanDerWaalsContact ND1-N 3.11Å; L402-V404 HydrophobicContact CD1-CG2 3.44Å; L402-V404 VanDerWaalsContact CD1-CG2 3.44Å; V404-T406 HydrophobicContact CG1-CG2 4.04Å
405	H	97.6	Very high	90.9	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.069	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.5	178.8	-66.8	-95.1	0	0	0	110.1	E217 H353 L354 F355 R403	E217-H405 IonicContact OE1-CE1 3.55Å; E217-H405 PolarHBondContact OE1-CE1 3.01Å; E217-H405 IonicContact OE1-NE2 3.64Å; E217-H405 PolarHBondContact OE1-NE2 3.08Å; E217-H405 IonicContact OE2-CE1 2.73Å; H353-H405 AromaticContact CE1-NE2 3.79Å; H353-H405 AromaticContact CG-NE2 3.66Å; H353-H405 AromaticContact ND1-CE1 3.82Å; H353-H405 AromaticContact ND1-NE2 3.01Å; H353-H405 PolarHBondContact ND1-NE2 3.22Å; L354-H405 PolarHBondContact O-N 3.15Å; F355-H405 HydrophobicContact CD1-CB 3.69Å; F355-H405 AromaticContact CD1-CD2 3.88Å; F355-H405 AromaticContact CD1-CG 3.8Å; F355-H405 HydrophobicContact CE1-CB 3.84Å; F355-H405 AromaticContact CE1-CD2 3.41Å; F355-H405 VanDerWaalsContact CE1-CD2 3.41Å; F355-H405 WeakPolarHBondContact CE1-CD2 3.34Å; F355-H405 AromaticContact CE1-CE1 3.91Å; F355-H405 AromaticContact CE1-CG 3.43Å; F355-H405 VanDerWaalsContact CE1-CG 3.43Å; F355-H405 AromaticContact CE1-ND1 3.81Å; F355-H405 AromaticContact CE1-NE2 3.74Å; F355-H405 HydrophobicContact CG-CB 4.49Å; F355-H405 AromaticContact CZ-CD2 3.52Å; F355-H405 AromaticContact CZ-NE2 3.54Å; R403-H405 PolarHBondContact NE-CE1 3Å; R403-H405 VanDerWaalsContact NE-CE1 3.29Å
406	T	95.1	Very high	90.5	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.074	27%	0.269	C	S	.	.			trans	-123.2	-2.8	176.9	61.2	0	0	0	0	113.4	W121 I208 W358 V404	W121-T406 HydrophobicContact CZ2-CG2 3.97Å; W121-T406 PolarHBondContact NE1-OG1 2.98Å; I208-T406 WeakPolarHBondContact CD1-O 3.39Å; I208-T406 WeakPolarHBondContact CG1-O 3.16Å; W358-T406 HydrophobicContact CD2-CG2 4.45Å; W358-T406 HydrophobicContact CE3-CG2 3.64Å; W358-T406 HydrophobicContact CZ3-CG2 3.97Å; V404-T406 HydrophobicContact CG1-CG2 4.04Å
407	G	91.4	Very high	89.9	Confident	41 Å²	41	46.2 Å²	46.2	42%	0.423	28%	0.283	S	S	.	.	S	Bend	trans	-116.5	-170.4	-178.9	0	0	0	0	0	112.1
408	T	93.2	Very high	89.4	Confident	111 Å²	111	48.5 Å²	48.5	68%	0.681	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-70.8	137	171.1	52.1	0	0	0	0	110.3	S212	S212-T408 CarbonylContact O-C 3.54Å; S212-T408 VanDerWaalsContact O-CA 3.27Å; S212-T408 WeakPolarHBondContact O-CA 3.38Å
409	C	93.8	Very high	88.7	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.061	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-81	140.7	169.7	-66.3	0	0	0	0	110	S212 C214 E217 C411	S212-C409 PolarHBondContact O-N 2.86Å; C214-C409 WeakPolarHBondContact CA-SG 3.48Å; C214-C409 HydrophobicContact CB-CB 3.88Å; C214-C409 WeakPolarHBondContact CB-SG 3.41Å; C214-C409 WeakPolarHBondContact SG-CB 3.41Å; C214-C409 CovalentContact SG-SG 2.04Å; C214-C409 PolarHBondContact SG-SG 2.98Å; E217-C409 PolarHBondContact OE2-SG 2.82Å; C409-C411 PolarHBondContact O-N 2.87Å
410	S	80.4	Confident	88	Confident	108 Å²	108	49 Å²	49	76%	0.755	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-63.1	132.8	176.6	-51.3	0	0	0	0	110	C412	S410-C412 PolarHBondContact O-N 3.25Å; S410-C412 VanDerWaalsContact O-N 3.16Å
411	C	53.6	Low	87.1	Confident	87 Å²	87	53.1 Å²	53.1	59%	0.588	34%	0.344	S	S	*	.			trans	-70.8	107.7	165.3	-66.3	0	0	0	0	107	C409	C409-C411 PolarHBondContact O-N 2.87Å
412	C	46.3	Very low	86.1	Confident	170 Å²	170	57.6 Å²	57.6	100%	1.149	37%	0.374	S	S	*	.			trans	-69.1	0	158.3	-59.6	0	0	0	0	109.4	R216 S410	R216-C412 PolarHBondContact NH1-O 3.36Å; R216-C412 VanDerWaalsContact NH1-O 3.16Å; S410-C412 PolarHBondContact O-N 3.25Å; S410-C412 VanDerWaalsContact O-N 3.16Å

Retrieved 412 of 412 residues in 116.1 ms (Link to these results)

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