A0A087XSG9_POEFO Loading...

Neprilysin

AlphaFold DB , UniProt , Accession A0A087XSG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 749 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	36.8	Very low	35.4	Very low	176 Å²	176	141 Å²	141	100%	1.143	84%	0.844	S	S	*	*				0	98.5	0	11.6	12.4	0	0	0	109.2
2	A	35.8	Very low	35.6	Very low	105 Å²	105	143.6 Å²	143.6	87%	0.868	84%	0.841	S	S	*	*				49.1	100.7	104.5	0	0	0	0	0	110.3
3	G	33.9	Very low	35.7	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	84%	0.84	S	S	*	*				83.4	98.3	52.2	0	0	0	0	0	108.3
4	D	36.8	Very low	35.9	Very low	160 Å²	160	143.8 Å²	143.8	86%	0.856	84%	0.839	S	S	*	*			trans	-171.2	157.3	135	-131.4	-21	0	0	0	114.4
5	R	37.9	Very low	36	Very low	241 Å²	241	143.3 Å²	143.3	91%	0.909	84%	0.839	S	S	*	*			trans	-79.4	165.5	-169.8	-68.8	167.8	174.5	179.6	-0.9	115.7
6	G	33.9	Very low	36.5	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	84%	0.838	S	S	*	*			trans	166.2	87.9	153.5	0	0	0	0	0	113
7	D	35.1	Very low	36.8	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	84%	0.84	S	S	*	*				56	106.6	116.3	-93.4	-0.2	0	0	0	116.8
8	L	34.1	Very low	37.3	Very low	135 Å²	135	144.3 Å²	144.3	71%	0.707	84%	0.84	S	S	*	*				98.1	112.7	85.5	-100.1	173.7	0	0	0	111.8
9	T	34.9	Very low	37.7	Very low	150 Å²	150	141.4 Å²	141.4	92%	0.92	84%	0.835	S	S	*	*			trans	-164	129.5	139.8	10.8	0	0	0	0	110
10	M	33.4	Very low	38.3	Very low	150 Å²	150	144.5 Å²	144.5	74%	0.739	84%	0.837	S	S	*	*			trans	-76.9	140.3	-175.1	-67.4	172.8	55	0	0	112.5
11	T	36.4	Very low	39.1	Very low	141 Å²	141	146.8 Å²	146.8	87%	0.865	84%	0.837	S	S	*	*			trans	-144.6	111.7	142.5	31.9	0	0	0	0	108.9
12	E	38.4	Very low	39.7	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	82%	0.818	S	S	*	*			trans	-66.9	135.7	164.5	-79.4	175.9	136.2	0	0	109.5
13	T	37	Very low	40.9	Very low	134 Å²	134	150.3 Å²	150.3	82%	0.822	82%	0.82	S	S	*	*			trans	-160	112.5	146.1	10.1	0	0	0	0	109.9
14	D	38.3	Very low	42.1	Very low	156 Å²	156	150.8 Å²	150.8	83%	0.834	81%	0.805	S	S	*	*			trans	-5.9	125.1	168.7	-68.1	-50.2	0	0	0	120.3
15	T	38	Very low	43.7	Very low	137 Å²	137	146.9 Å²	146.9	84%	0.84	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.9	124.9	160.3	32.4	0	0	0	0	110
16	P	44.1	Very low	45	Very low	127 Å²	127	140 Å²	140	83%	0.825	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-78	132.2	176.2	18.1	-11.4	0	0	0	111.3
17	K	40.7	Very low	46.7	Very low	201 Å²	201	143.7 Å²	143.7	87%	0.874	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-50.6	134.6	172.9	-67.8	171.1	177.9	171.5	0	111.5	A19	K17-A19 PolarHBondContact O-N 2.91Å
18	S	45.6	Very low	48.5	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	76%	0.761	S	S	*	*			trans	-51.2	107.3	166.6	174.4	0	0	0	0	110.9	K20	S18-K20 PolarHBondContact O-N 3.4Å
19	A	45.8	Very low	50.5	Low	89 Å²	89	139.4 Å²	139.4	74%	0.736	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-72.7	118.8	170.8	0	0	0	0	0	109.1	K17 K21	K17-A19 PolarHBondContact O-N 2.91Å; A19-K21 PolarHBondContact O-N 2.98Å
20	K	49.6	Very low	52.3	Low	202 Å²	202	135.2 Å²	135.2	88%	0.878	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-54.4	119.3	169.4	-74.9	176.9	175.4	176.6	0	108.9	S18	S18-K20 PolarHBondContact O-N 3.4Å
21	K	54.3	Low	54.6	Low	194 Å²	194	133.5 Å²	133.5	84%	0.843	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.8	169.1	-78.2	-177	176.3	-178.9	0	108.8	A19 R23	A19-K21 PolarHBondContact O-N 2.98Å; K21-R23 PolarHBondContact O-N 3.16Å; K21-R23 VanDerWaalsContact O-N 3.15Å
22	P	50.2	Low	56.8	Low	115 Å²	115	131.1 Å²	131.1	75%	0.747	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-65.4	118.4	173.2	27.4	-30	0	0	0	107.5	L24	P22-L24 PolarHBondContact O-N 3.32Å
23	R	60.8	Low	58.8	Low	240 Å²	240	125.7 Å²	125.7	91%	0.906	69%	0.687	S	S	*	*			trans	-74.9	107.6	167.3	-77	-176.8	175	178.8	-2	106	K21 T25	K21-R23 PolarHBondContact O-N 3.16Å; K21-R23 VanDerWaalsContact O-N 3.15Å; R23-T25 PolarHBondContact O-N 2.73Å
24	L	58.3	Low	61.2	Low	83 Å²	83	124.7 Å²	124.7	44%	0.435	68%	0.676	S	S	.	*			trans	-52.9	132.5	170.1	-86.4	87	0	0	0	108.7	P22 E28 I29 I32	P22-L24 PolarHBondContact O-N 3.32Å; L24-E28 WeakPolarHBondContact CA-OE2 3.34Å; L24-E28 HydrophobicContact CB-CB 4.26Å; L24-E28 HydrophobicContact CD2-CB 3.89Å; L24-E28 HydrophobicContact CG-CB 4.26Å; L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 3.87Å; L24-I29 HydrophobicContact CD2-CG1 4.48Å; L24-I32 HydrophobicContact CD2-CD1 3.31Å
25	T	70.5	Confident	63.5	Low	79 Å²	79	121.2 Å²	121.2	49%	0.485	66%	0.66	S	S	.	*			trans	-66.2	153.6	174.6	59.1	0	0	0	0	109.8	R23 L27 E28 I29	R23-T25 PolarHBondContact O-N 2.73Å; T25-L27 PolarHBondContact O-N 2.76Å; T25-E28 PolarHBondContact N-OE2 3.45Å; T25-E28 PolarHBondContact O-N 3.19Å; T25-E28 VanDerWaalsContact OG1-CD 3.29Å; T25-E28 VanDerWaalsContact OG1-CG 3.31Å; T25-E28 WeakPolarHBondContact OG1-CG 3.48Å; T25-E28 PolarHBondContact OG1-OE2 3.34Å; T25-I29 PolarHBondContact O-N 2.9Å; T25-I29 VanDerWaalsContact O-N 3.14Å
26	S	65.4	Low	65.7	Low	96 Å²	96	117.4 Å²	117.4	67%	0.671	64%	0.639	S	S	*	*	H	α-helix	trans	-52	-30.2	177.6	176.7	0	0	0	0	112.7	S30	S26-S30 PolarHBondContact O-N 2.83Å; S26-S30 VanDerWaalsContact O-N 3.11Å; S26-S30 PolarHBondContact O-OG 3.31Å
27	L	70.8	Confident	67.8	Low	147 Å²	147	117 Å²	117	77%	0.77	63%	0.629	S	S	*	*	H	α-helix	trans	-70.8	-40.7	178.6	-145	96	0	0	0	112	T25 S30 L31	T25-L27 PolarHBondContact O-N 2.76Å; L27-S30 PolarHBondContact O-N 3.04Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 PolarHBondContact O-N 2.82Å
28	E	72.3	Confident	70.1	Confident	96 Å²	96	113.9 Å²	113.9	45%	0.449	62%	0.616	S	S	.	*	H	α-helix	trans	-69.9	-35.9	178.1	-67.6	165.1	143.8	0	0	111.5	L24 T25 L31 I32	L24-E28 WeakPolarHBondContact CA-OE2 3.34Å; L24-E28 HydrophobicContact CB-CB 4.26Å; L24-E28 HydrophobicContact CD2-CB 3.89Å; L24-E28 HydrophobicContact CG-CB 4.26Å; T25-E28 PolarHBondContact N-OE2 3.45Å; T25-E28 PolarHBondContact O-N 3.19Å; T25-E28 VanDerWaalsContact OG1-CD 3.29Å; T25-E28 VanDerWaalsContact OG1-CG 3.31Å; T25-E28 WeakPolarHBondContact OG1-CG 3.48Å; T25-E28 PolarHBondContact OG1-OE2 3.34Å; E28-L31 PolarHBondContact O-N 3.01Å; E28-I32 WeakPolarHBondContact O-CB 3.49Å; E28-I32 WeakPolarHBondContact O-CD1 3.24Å; E28-I32 WeakPolarHBondContact O-CG1 3.29Å; E28-I32 PolarHBondContact O-N 3.38Å
29	I	75.6	Confident	72.2	Confident	99 Å²	99	112 Å²	112	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-43.7	174.2	-61.4	170.7	0	0	0	110.5	L24 T25 I32 A33	L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 3.87Å; L24-I29 HydrophobicContact CD2-CG1 4.48Å; T25-I29 PolarHBondContact O-N 2.9Å; T25-I29 VanDerWaalsContact O-N 3.14Å; I29-I32 PolarHBondContact O-N 3.37Å; I29-A33 WeakPolarHBondContact O-CB 3.48Å; I29-A33 PolarHBondContact O-N 3.03Å
30	S	72.8	Confident	74.3	Confident	61 Å²	61	112.6 Å²	112.6	43%	0.427	59%	0.589	S	S	.	*	H	α-helix	trans	-64.4	-39.8	175.3	-69.1	0	0	0	0	112.3	S26 L27 A33 I34	S26-S30 PolarHBondContact O-N 2.83Å; S26-S30 VanDerWaalsContact O-N 3.11Å; S26-S30 PolarHBondContact O-OG 3.31Å; L27-S30 PolarHBondContact O-N 3.04Å; S30-A33 PolarHBondContact O-N 3.37Å; S30-I34 WeakPolarHBondContact O-CB 3.36Å; S30-I34 WeakPolarHBondContact O-CD1 3.34Å; S30-I34 VanDerWaalsContact O-CG1 3.23Å; S30-I34 WeakPolarHBondContact O-CG1 3.38Å; S30-I34 PolarHBondContact O-N 3.14Å
31	L	81.9	Confident	76.1	Confident	115 Å²	115	106.3 Å²	106.3	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-66	-43.4	177.6	-160.1	80.9	0	0	0	111.4	L27 E28 A33 I34 V35	L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 PolarHBondContact O-N 2.82Å; E28-L31 PolarHBondContact O-N 3.01Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-A33 PolarHBondContact O-N 2.96Å; L31-I34 PolarHBondContact O-N 3.43Å; L31-V35 WeakPolarHBondContact O-CB 3.38Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3Å
32	I	82.1	Confident	77.7	Confident	91 Å²	91	100.3 Å²	100.3	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.3	-69.2	166	0	0	0	110.3	L24 E28 I29 I34 V35 S36	L24-I32 HydrophobicContact CD2-CD1 3.31Å; E28-I32 WeakPolarHBondContact O-CB 3.49Å; E28-I32 WeakPolarHBondContact O-CD1 3.24Å; E28-I32 WeakPolarHBondContact O-CG1 3.29Å; E28-I32 PolarHBondContact O-N 3.38Å; I29-I32 PolarHBondContact O-N 3.37Å; I32-I34 PolarHBondContact O-N 3.4Å; I32-V35 PolarHBondContact O-N 3.4Å; I32-S36 WeakPolarHBondContact O-CB 3.37Å; I32-S36 PolarHBondContact O-N 2.96Å; I32-S36 PolarHBondContact O-OG 3.31Å
33	A	81.3	Confident	79.3	Confident	58 Å²	58	98.2 Å²	98.2	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-42.3	177.5	0	0	0	0	0	112.3	I29 S30 L31 L37	I29-A33 WeakPolarHBondContact O-CB 3.48Å; I29-A33 PolarHBondContact O-N 3.03Å; S30-A33 PolarHBondContact O-N 3.37Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-A33 PolarHBondContact O-N 2.96Å; A33-L37 WeakPolarHBondContact O-CB 3.39Å; A33-L37 PolarHBondContact O-N 2.98Å
34	I	86.3	Confident	80.3	Confident	112 Å²	112	90 Å²	90	57%	0.574	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-44.2	177.3	-68.8	164.9	0	0	0	110.8	S30 L31 I32 L37 F38	S30-I34 WeakPolarHBondContact O-CB 3.36Å; S30-I34 WeakPolarHBondContact O-CD1 3.34Å; S30-I34 VanDerWaalsContact O-CG1 3.23Å; S30-I34 WeakPolarHBondContact O-CG1 3.38Å; S30-I34 PolarHBondContact O-N 3.14Å; L31-I34 PolarHBondContact O-N 3.43Å; I32-I34 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 3.49Å; I34-F38 VanDerWaalsContact O-CB 3.31Å; I34-F38 WeakPolarHBondContact O-CB 3.47Å; I34-F38 PolarHBondContact O-N 3.26Å
35	V	87.8	Confident	81.3	Confident	83 Å²	83	91.2 Å²	91.2	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-42.6	177.6	172.4	0	0	0	0	110.8	L31 I32 F38 V39	L31-V35 WeakPolarHBondContact O-CB 3.38Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3Å; I32-V35 PolarHBondContact O-N 3.4Å; V35-F38 PolarHBondContact O-N 2.94Å; V35-V39 HydrophobicContact CG1-CG2 4.39Å; V35-V39 WeakPolarHBondContact O-CB 3.43Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 3.4Å
36	S	84.2	Confident	81.5	Confident	58 Å²	58	91.9 Å²	91.9	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-42	174.4	-63.5	0	0	0	0	111.9	I32 F38 V39 I40	I32-S36 WeakPolarHBondContact O-CB 3.37Å; I32-S36 PolarHBondContact O-N 2.96Å; I32-S36 PolarHBondContact O-OG 3.31Å; S36-F38 VanDerWaalsContact C-N 3.34Å; S36-V39 PolarHBondContact O-N 3.48Å; S36-I40 WeakPolarHBondContact O-CB 3.36Å; S36-I40 WeakPolarHBondContact O-CD1 3.04Å; S36-I40 WeakPolarHBondContact O-CG1 3.34Å; S36-I40 PolarHBondContact O-N 3Å
37	L	87.8	Confident	81.7	Confident	117 Å²	117	92.3 Å²	92.3	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-41.1	175.9	-154.7	91.7	0	0	0	111.1	A33 I34 I40 V41	A33-L37 WeakPolarHBondContact O-CB 3.39Å; A33-L37 PolarHBondContact O-N 2.98Å; I34-L37 PolarHBondContact O-N 3.49Å; L37-I40 PolarHBondContact O-N 3.43Å; L37-V41 WeakPolarHBondContact O-CB 3.1Å; L37-V41 VanDerWaalsContact O-CG2 3.24Å; L37-V41 WeakPolarHBondContact O-CG2 3.45Å; L37-V41 PolarHBondContact O-N 3.2Å
38	F	89.6	Confident	81.3	Confident	137 Å²	137	92.4 Å²	92.4	60%	0.601	50%	0.5	S	S	*	.	H	α-helix	trans	-66.8	-40.3	177.9	-161.7	-106.3	0	0	0	111.9	I34 V35 S36 V41 I42	I34-F38 VanDerWaalsContact O-CB 3.31Å; I34-F38 WeakPolarHBondContact O-CB 3.47Å; I34-F38 PolarHBondContact O-N 3.26Å; V35-F38 PolarHBondContact O-N 2.94Å; S36-F38 VanDerWaalsContact C-N 3.34Å; F38-V41 PolarHBondContact O-N 3.22Å; F38-I42 HydrophobicContact CD1-CD1 3.53Å; F38-I42 HydrophobicContact CD1-CG1 4.36Å; F38-I42 HydrophobicContact CE1-CD1 3.39Å; F38-I42 HydrophobicContact CE1-CG1 4.3Å; F38-I42 HydrophobicContact CG-CD1 4.46Å; F38-I42 HydrophobicContact CZ-CD1 4.21Å; F38-I42 WeakPolarHBondContact O-CB 3.45Å; F38-I42 VanDerWaalsContact O-CG1 3.3Å; F38-I42 WeakPolarHBondContact O-CG1 3.42Å; F38-I42 PolarHBondContact O-N 3.31Å
39	V	89.5	Confident	80.6	Confident	79 Å²	79	91.1 Å²	91.1	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-41.8	172.7	171.4	0	0	0	0	110.9	V35 S36 I42 V43	V35-V39 HydrophobicContact CG1-CG2 4.39Å; V35-V39 WeakPolarHBondContact O-CB 3.43Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.33Å; V35-V39 PolarHBondContact O-N 3.4Å; S36-V39 PolarHBondContact O-N 3.48Å; V39-I42 PolarHBondContact O-N 3.29Å; V39-V43 HydrophobicContact CG1-CG2 4.25Å; V39-V43 WeakPolarHBondContact O-CB 3.17Å; V39-V43 VanDerWaalsContact O-CG2 3.22Å; V39-V43 WeakPolarHBondContact O-CG2 3.4Å; V39-V43 PolarHBondContact O-N 2.93Å
40	I	88.7	Confident	79.4	Confident	102 Å²	102	91.2 Å²	91.2	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-44.2	175	-70.2	163.7	0	0	0	110.4	S36 L37 I42 V43 V44	S36-I40 WeakPolarHBondContact O-CB 3.36Å; S36-I40 WeakPolarHBondContact O-CD1 3.04Å; S36-I40 WeakPolarHBondContact O-CG1 3.34Å; S36-I40 PolarHBondContact O-N 3Å; L37-I40 PolarHBondContact O-N 3.43Å; I40-I42 PolarHBondContact O-N 3.37Å; I40-V43 PolarHBondContact O-N 2.71Å; I40-V44 HydrophobicContact CG2-CG2 4.23Å; I40-V44 WeakPolarHBondContact O-CB 3.19Å; I40-V44 WeakPolarHBondContact O-CG2 3.34Å; I40-V44 PolarHBondContact O-N 3.49Å
41	V	88.6	Confident	78.3	Confident	70 Å²	70	95.5 Å²	95.5	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.7	169.3	0	0	0	0	110.8	L37 F38 V44 L45	L37-V41 WeakPolarHBondContact O-CB 3.1Å; L37-V41 VanDerWaalsContact O-CG2 3.24Å; L37-V41 WeakPolarHBondContact O-CG2 3.45Å; L37-V41 PolarHBondContact O-N 3.2Å; F38-V41 PolarHBondContact O-N 3.22Å; V41-V44 PolarHBondContact O-N 3.12Å; V41-L45 HydrophobicContact CG1-CD1 3.7Å; V41-L45 HydrophobicContact CG1-CG 4.25Å; V41-L45 WeakPolarHBondContact O-CB 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.4Å
42	I	87.5	Confident	76.8	Confident	68 Å²	68	93.7 Å²	93.7	35%	0.349	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-42.5	174.4	-73.9	171.8	0	0	0	111.1	F38 V39 I40 L45 I46	F38-I42 HydrophobicContact CD1-CD1 3.53Å; F38-I42 HydrophobicContact CD1-CG1 4.36Å; F38-I42 HydrophobicContact CE1-CD1 3.39Å; F38-I42 HydrophobicContact CE1-CG1 4.3Å; F38-I42 HydrophobicContact CG-CD1 4.46Å; F38-I42 HydrophobicContact CZ-CD1 4.21Å; F38-I42 WeakPolarHBondContact O-CB 3.45Å; F38-I42 VanDerWaalsContact O-CG1 3.3Å; F38-I42 WeakPolarHBondContact O-CG1 3.42Å; F38-I42 PolarHBondContact O-N 3.31Å; V39-I42 PolarHBondContact O-N 3.29Å; I40-I42 PolarHBondContact O-N 3.37Å; I42-L45 CarbonylContact O-C 3.47Å; I42-L45 PolarHBondContact O-N 2.8Å; I42-I46 HydrophobicContact CG2-CD1 3.53Å; I42-I46 HydrophobicContact CG2-CG1 4.16Å; I42-I46 VanDerWaalsContact O-CB 3.28Å; I42-I46 WeakPolarHBondContact O-CB 3.22Å; I42-I46 WeakPolarHBondContact O-CG1 3.44Å; I42-I46 PolarHBondContact O-N 3.04Å
43	V	84.6	Confident	75.5	Confident	71 Å²	71	96.5 Å²	96.5	43%	0.43	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-39.9	177	168.8	0	0	0	0	110.6	V39 I40 I46 L47	V39-V43 HydrophobicContact CG1-CG2 4.25Å; V39-V43 WeakPolarHBondContact O-CB 3.17Å; V39-V43 VanDerWaalsContact O-CG2 3.22Å; V39-V43 WeakPolarHBondContact O-CG2 3.4Å; V39-V43 PolarHBondContact O-N 2.93Å; I40-V43 PolarHBondContact O-N 2.71Å; V43-I46 PolarHBondContact O-N 2.65Å; V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 VanDerWaalsContact O-CB 3.24Å; V43-L47 WeakPolarHBondContact O-CB 3.35Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 2.99Å
44	V	81.4	Confident	75.2	Confident	69 Å²	69	100 Å²	100	42%	0.418	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-40.6	174.5	170.8	0	0	0	0	110.8	I40 V41 L47 F48	I40-V44 HydrophobicContact CG2-CG2 4.23Å; I40-V44 WeakPolarHBondContact O-CB 3.19Å; I40-V44 WeakPolarHBondContact O-CG2 3.34Å; I40-V44 PolarHBondContact O-N 3.49Å; V41-V44 PolarHBondContact O-N 3.12Å; V44-L47 PolarHBondContact O-N 3.34Å; V44-F48 HydrophobicContact CG1-CD2 4.07Å; V44-F48 WeakPolarHBondContact O-CB 3.27Å; V44-F48 PolarHBondContact O-N 2.6Å
45	L	78.4	Confident	75.4	Confident	108 Å²	108	99.6 Å²	99.6	57%	0.565	54%	0.542	S	S	*	.	H	α-helix	trans	-68.2	-37	175.3	-76.4	169.1	0	0	0	111.9	V41 I42 A49	V41-L45 HydrophobicContact CG1-CD1 3.7Å; V41-L45 HydrophobicContact CG1-CG 4.25Å; V41-L45 WeakPolarHBondContact O-CB 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.47Å; V41-L45 PolarHBondContact O-N 3.4Å; I42-L45 CarbonylContact O-C 3.47Å; I42-L45 PolarHBondContact O-N 2.8Å; L45-A49 WeakPolarHBondContact O-CA 3.45Å; L45-A49 WeakPolarHBondContact O-CB 3.45Å; L45-A49 PolarHBondContact O-N 3.22Å
46	I	74.9	Confident	75.6	Confident	93 Å²	93	96.7 Å²	96.7	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-68.2	-45.3	172.6	-70.9	168.7	0	0	0	109.2	I42 V43 F48 A49 T50	I42-I46 HydrophobicContact CG2-CD1 3.53Å; I42-I46 HydrophobicContact CG2-CG1 4.16Å; I42-I46 VanDerWaalsContact O-CB 3.28Å; I42-I46 WeakPolarHBondContact O-CB 3.22Å; I42-I46 WeakPolarHBondContact O-CG1 3.44Å; I42-I46 PolarHBondContact O-N 3.04Å; V43-I46 PolarHBondContact O-N 2.65Å; I46-F48 VanDerWaalsContact C-N 3.33Å; I46-F48 PolarHBondContact O-N 3.21Å; I46-A49 CarbonylContact O-C 3.35Å; I46-A49 PolarHBondContact O-N 2.79Å; I46-T50 HydrophobicContact CG2-CG2 4Å; I46-T50 WeakPolarHBondContact O-CB 3.4Å; I46-T50 VanDerWaalsContact O-CG2 3.26Å; I46-T50 WeakPolarHBondContact O-CG2 3.25Å; I46-T50 PolarHBondContact O-N 3.1Å; I46-T50 PolarHBondContact O-OG1 3.07Å
47	L	69	Low	76	Confident	105 Å²	105	99.6 Å²	99.6	55%	0.55	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-39	175.5	-75.8	167.7	0	0	0	111.9	V43 V44 T50 Q51	V43-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 VanDerWaalsContact O-CB 3.24Å; V43-L47 WeakPolarHBondContact O-CB 3.35Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 2.99Å; V44-L47 PolarHBondContact O-N 3.34Å; L47-T50 PolarHBondContact O-OG1 3.35Å; L47-Q51 WeakPolarHBondContact O-CB 3.32Å; L47-Q51 PolarHBondContact O-N 3.32Å
48	F	64	Low	76.3	Confident	148 Å²	148	97.3 Å²	97.3	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-71	-36.8	173.3	-104.2	-91	0	0	0	112.3	V44 I46 Q51	V44-F48 HydrophobicContact CG1-CD2 4.07Å; V44-F48 WeakPolarHBondContact O-CB 3.27Å; V44-F48 PolarHBondContact O-N 2.6Å; I46-F48 VanDerWaalsContact C-N 3.33Å; I46-F48 PolarHBondContact O-N 3.21Å; F48-Q51 PolarHBondContact O-N 3.18Å
49	A	55.9	Low	76.5	Confident	70 Å²	70	94.7 Å²	94.7	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-79.1	-22.6	178.6	0	0	0	0	0	113.3	L45 I46 S52	L45-A49 WeakPolarHBondContact O-CA 3.45Å; L45-A49 WeakPolarHBondContact O-CB 3.45Å; L45-A49 PolarHBondContact O-N 3.22Å; I46-A49 CarbonylContact O-C 3.35Å; I46-A49 PolarHBondContact O-N 2.79Å; A49-S52 PolarHBondContact O-OG 2.91Å
50	T	51.9	Low	76.7	Confident	100 Å²	100	94 Å²	94	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-90	-12.6	171.2	60	0	0	0	0	112.2	I46 L47 S52	I46-T50 HydrophobicContact CG2-CG2 4Å; I46-T50 WeakPolarHBondContact O-CB 3.4Å; I46-T50 VanDerWaalsContact O-CG2 3.26Å; I46-T50 WeakPolarHBondContact O-CG2 3.25Å; I46-T50 PolarHBondContact O-N 3.1Å; I46-T50 PolarHBondContact O-OG1 3.07Å; L47-T50 PolarHBondContact O-OG1 3.35Å; T50-S52 PolarHBondContact O-N 2.68Å; T50-S52 VanDerWaalsContact O-N 3.13Å
51	Q	48.4	Very low	77	Confident	152 Å²	152	89.4 Å²	89.4	71%	0.71	51%	0.505	S	S	*	.			trans	-83.9	48.5	169.3	-161.5	176.4	40.5	0	0	111.4	L47 F48	L47-Q51 WeakPolarHBondContact O-CB 3.32Å; L47-Q51 PolarHBondContact O-N 3.32Å; F48-Q51 PolarHBondContact O-N 3.18Å
52	S	51.9	Low	77.3	Confident	77 Å²	77	89.5 Å²	89.5	54%	0.538	51%	0.506	S	S	.	.			trans	-130.3	92.7	170.2	64.7	0	0	0	0	109.1	A49 T50	A49-S52 PolarHBondContact O-OG 2.91Å; T50-S52 PolarHBondContact O-N 2.68Å; T50-S52 VanDerWaalsContact O-N 3.13Å
53	N	53.9	Low	77.6	Confident	150 Å²	150	92.5 Å²	92.5	80%	0.802	52%	0.518	S	S	*	.	S	Bend	trans	171.5	-8	137.3	-88	-13.8	0	0	0	118.3
54	E	75.9	Confident	78.2	Confident	132 Å²	132	89.4 Å²	89.4	62%	0.617	50%	0.5	S	S	*	.	S	Bend	trans	-99.9	-9.3	-161.8	-71.3	-160.7	161.5	0	0	119	R673	E54-R673 WeakPolarHBondContact O-CA 3.43Å; E54-R673 VanDerWaalsContact O-CB 3.28Å; E54-R673 WeakPolarHBondContact O-CB 3.34Å; E54-R673 PolarHBondContact O-N 2.69Å
55	I	89.8	Confident	78.9	Confident	103 Å²	103	86.2 Å²	86.2	53%	0.528	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-126.2	127.7	-174.3	-57.6	175.7	0	0	0	111.9	T57 R673 P675	I55-T57 PolarHBondContact O-N 2.63Å; I55-R673 CarbonylContact C-O 3.57Å; I55-R673 WeakPolarHBondContact CA-O 3.43Å; I55-P675 HydrophobicContact CG2-CB 3.75Å
56	C	91.9	Very high	79.7	Confident	21 Å²	21	85 Å²	85	14%	0.142	48%	0.482	C	S	.	.			trans	-76.6	115.3	175.8	-175.5	0	0	0	0	111.6	T58 C61 P672 R673 P675	C56-T58 PolarHBondContact SG-OG1 3.12Å; C56-T58 VanDerWaalsContact SG-OG1 3.39Å; C56-C61 HydrophobicContact CB-CB 3.6Å; C56-C61 WeakPolarHBondContact CB-SG 3.17Å; C56-C61 WeakPolarHBondContact O-CB 3.37Å; C56-C61 WeakPolarHBondContact SG-CB 3.21Å; C56-C61 CovalentContact SG-SG 2.03Å; C56-C61 PolarHBondContact SG-SG 3.04Å; C56-P672 HydrophobicContact CB-CB 4.14Å; C56-R673 PolarHBondContact N-O 3.08Å; C56-P675 VanDerWaalsContact O-CD 3.28Å; C56-P675 WeakPolarHBondContact O-CD 3.45Å
57	T	92	Very high	80.7	Confident	119 Å²	119	82.9 Å²	82.9	73%	0.73	47%	0.467	S	S	*	.			trans	-105.5	12.6	-178.3	59	0	0	0	0	114	I55	I55-T57 PolarHBondContact O-N 2.63Å
58	T	94.1	Very high	82.1	Confident	70 Å²	70	77.9 Å²	77.9	43%	0.429	44%	0.441	S	S	.	.	S	Bend	trans	-65	158.9	175.4	67.9	0	0	0	0	110.8	C56 D60 C61 T62	C56-T58 PolarHBondContact SG-OG1 3.12Å; C56-T58 VanDerWaalsContact SG-OG1 3.39Å; T58-D60 VanDerWaalsContact C-N 3.27Å; T58-D60 PolarHBondContact O-N 2.77Å; T58-C61 PolarHBondContact O-N 3.01Å; T58-C61 WeakPolarHBondContact OG1-CB 3.41Å; T58-C61 PolarHBondContact OG1-N 3.34Å; T58-C61 PolarHBondContact OG1-SG 2.92Å; T58-C61 VanDerWaalsContact OG1-SG 3.36Å; T58-T62 PolarHBondContact O-N 3.09Å; T58-T62 PolarHBondContact O-OG1 2.9Å
59	A	94.1	Very high	83.6	Confident	81 Å²	81	74.2 Å²	74.2	67%	0.669	43%	0.428	S	S	*	.	H	α-helix	trans	-58.1	-42.2	176.6	0	0	0	0	0	111.5	T62 Q63	A59-T62 PolarHBondContact O-N 3.41Å; A59-Q63 WeakPolarHBondContact O-CB 3.33Å; A59-Q63 PolarHBondContact O-N 2.74Å
60	D	92.7	Very high	85.5	Confident	65 Å²	65	72.1 Å²	72.1	35%	0.348	41%	0.413	S	S	.	.	H	α-helix	trans	-64.6	-41.3	179.2	-65.4	-48.3	0	0	0	112.8	T58 S64 G567	T58-D60 VanDerWaalsContact C-N 3.27Å; T58-D60 PolarHBondContact O-N 2.77Å; D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.3Å; D60-S64 PolarHBondContact O-N 3.01Å; D60-S64 PolarHBondContact O-OG 3.16Å; D60-G567 VanDerWaalsContact CB-C 3.49Å; D60-G567 VanDerWaalsContact CB-O 3.24Å; D60-G567 WeakPolarHBondContact CB-O 3.24Å; D60-G567 WeakPolarHBondContact OD2-CA 3.34Å
61	C	95	Very high	87.6	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.034	39%	0.388	C	S	.	.	H	α-helix	trans	-64.7	-44	174.5	-76.6	0	0	0	0	111.5	C56 T58 S64 A65 L674	C56-C61 HydrophobicContact CB-CB 3.6Å; C56-C61 WeakPolarHBondContact CB-SG 3.17Å; C56-C61 WeakPolarHBondContact O-CB 3.37Å; C56-C61 WeakPolarHBondContact SG-CB 3.21Å; C56-C61 CovalentContact SG-SG 2.03Å; C56-C61 PolarHBondContact SG-SG 3.04Å; T58-C61 PolarHBondContact O-N 3.01Å; T58-C61 WeakPolarHBondContact OG1-CB 3.41Å; T58-C61 PolarHBondContact OG1-N 3.34Å; T58-C61 PolarHBondContact OG1-SG 2.92Å; T58-C61 VanDerWaalsContact OG1-SG 3.36Å; C61-S64 PolarHBondContact O-N 2.84Å; C61-A65 WeakPolarHBondContact O-CB 3.23Å; C61-A65 PolarHBondContact O-N 3.26Å; C61-L674 HydrophobicContact CB-CD2 3.73Å
62	T	95.3	Very high	89.9	Confident	72 Å²	72	62.6 Å²	62.6	44%	0.442	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-42.9	179.2	-54	0	0	0	0	111.4	T58 A59 A65 S66	T58-T62 PolarHBondContact O-N 3.09Å; T58-T62 PolarHBondContact O-OG1 2.9Å; A59-T62 PolarHBondContact O-N 3.41Å; T62-A65 PolarHBondContact O-N 3.24Å; T62-S66 WeakPolarHBondContact O-CB 3.49Å; T62-S66 PolarHBondContact O-N 2.88Å
63	Q	95.4	Very high	92.1	Very high	131 Å²	131	59.9 Å²	59.9	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-65.2	-42.3	176.3	-170.9	179.9	26.2	0	0	111.4	A59 S66 R67	A59-Q63 WeakPolarHBondContact O-CB 3.33Å; A59-Q63 PolarHBondContact O-N 2.74Å; Q63-S66 PolarHBondContact O-N 3.29Å; Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 3.26Å
64	S	96.1	Very high	94	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-47.4	176.2	-62.5	0	0	0	0	111.3	D60 C61 R67 L68	D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.3Å; D60-S64 PolarHBondContact O-N 3.01Å; D60-S64 PolarHBondContact O-OG 3.16Å; C61-S64 PolarHBondContact O-N 2.84Å; S64-R67 WeakPolarHBondContact O-CB 3.32Å; S64-R67 PolarHBondContact O-N 3.32Å; S64-L68 VanDerWaalsContact O-CG 3.26Å; S64-L68 WeakPolarHBondContact O-CG 3.43Å; S64-L68 PolarHBondContact O-N 3.4Å
65	A	96.4	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-48.1	177	0	0	0	0	0	111.9	C61 T62 R67 L68 I69 L674 P675	C61-A65 WeakPolarHBondContact O-CB 3.23Å; C61-A65 PolarHBondContact O-N 3.26Å; T62-A65 PolarHBondContact O-N 3.24Å; A65-R67 VanDerWaalsContact C-N 3.28Å; A65-R67 PolarHBondContact O-N 2.64Å; A65-L68 PolarHBondContact O-N 3.17Å; A65-I69 WeakPolarHBondContact O-CB 3.42Å; A65-I69 WeakPolarHBondContact O-CD1 3.21Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 3.47Å; A65-L674 HydrophobicContact CB-CB 4.19Å; A65-L674 HydrophobicContact CB-CD1 4.5Å; A65-P675 HydrophobicContact CB-CG 4.14Å; A65-P675 VanDerWaalsContact CB-O 3.22Å; A65-P675 WeakPolarHBondContact CB-O 3.45Å
66	S	95.9	Very high	95.4	Very high	84 Å²	84	51.8 Å²	51.8	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-58.5	-39.8	177.1	-179	0	0	0	0	112.2	T62 Q63 G70	T62-S66 WeakPolarHBondContact O-CB 3.49Å; T62-S66 PolarHBondContact O-N 2.88Å; Q63-S66 PolarHBondContact O-N 3.29Å; S66-G70 PolarHBondContact O-N 3.44Å
67	R	95.3	Very high	95.7	Very high	47 Å²	47	54.6 Å²	54.6	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-47.8	175.7	179.3	-168.2	74.7	-152.3	8.2	111.5	Q63 S64 A65 G70 K71 N688	Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 3.26Å; S64-R67 WeakPolarHBondContact O-CB 3.32Å; S64-R67 PolarHBondContact O-N 3.32Å; A65-R67 VanDerWaalsContact C-N 3.28Å; A65-R67 PolarHBondContact O-N 2.64Å; R67-G70 PolarHBondContact O-N 3.04Å; R67-K71 WeakPolarHBondContact O-CG 3.37Å; R67-K71 PolarHBondContact O-N 3.47Å; R67-N688 PolarHBondContact NH2-OD1 3.13Å
68	L	97.3	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-51.4	-178.3	-68.7	170.2	0	0	0	111.1	S64 A65 G70 K71 M72 L572 L674 I677 L684 L687 Q691	S64-L68 VanDerWaalsContact O-CG 3.26Å; S64-L68 WeakPolarHBondContact O-CG 3.43Å; S64-L68 PolarHBondContact O-N 3.4Å; A65-L68 PolarHBondContact O-N 3.17Å; L68-G70 VanDerWaalsContact C-N 3.31Å; L68-G70 PolarHBondContact O-N 3.43Å; L68-K71 PolarHBondContact O-N 3.47Å; L68-M72 PolarHBondContact O-N 3.38Å; L68-L572 HydrophobicContact CD1-CD1 4.21Å; L68-L572 HydrophobicContact CD1-CD2 3.91Å; L68-L674 HydrophobicContact CD1-CD1 3.65Å; L68-I677 HydrophobicContact CB-CD1 4.33Å; L68-L684 HydrophobicContact CD1-CD2 3.86Å; L68-L687 HydrophobicContact CB-CD2 4.15Å; L68-L687 HydrophobicContact CD2-CD2 4.11Å; L68-L687 HydrophobicContact CD2-CG 4.16Å; L68-L687 HydrophobicContact CG-CD2 4.5Å; L68-Q691 VanDerWaalsContact CD2-OE1 3.31Å; L68-Q691 PolarHBondContact O-NE2 2.91Å
69	I	96.3	Very high	96.2	Very high	72 Å²	72	47 Å²	47	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-40.6	179	-62.8	163.4	0	0	0	110.7	A65 K71 M72 G676 I677	A65-I69 WeakPolarHBondContact O-CB 3.42Å; A65-I69 WeakPolarHBondContact O-CD1 3.21Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 3.47Å; I69-K71 PolarHBondContact O-N 3.36Å; I69-K71 VanDerWaalsContact O-N 3.16Å; I69-M72 PolarHBondContact O-N 3.32Å; I69-G676 VanDerWaalsContact CD1-O 3.27Å; I69-G676 WeakPolarHBondContact CD1-O 3.26Å; I69-I677 HydrophobicContact CD1-CB 4.2Å; I69-I677 HydrophobicContact CG1-CB 4.15Å; I69-I677 HydrophobicContact CG1-CD1 4.16Å; I69-I677 HydrophobicContact CG1-CG1 4.44Å
70	G	95.3	Very high	96.3	Very high	25 Å²	25	47 Å²	47	26%	0.258	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-22.7	-177.1	0	0	0	0	0	114.7	S66 R67 L68 K93	S66-G70 PolarHBondContact O-N 3.44Å; R67-G70 PolarHBondContact O-N 3.04Å; L68-G70 VanDerWaalsContact C-N 3.31Å; L68-G70 PolarHBondContact O-N 3.43Å; G70-K93 PolarHBondContact O-NZ 3.25Å
71	K	96.6	Very high	96.6	Very high	23 Å²	23	46.5 Å²	46.5	10%	0.1	28%	0.276	C	S	.	.	H	α-helix	trans	-101.2	-26.6	-176.5	-68.1	-177	180	-179	0	114.2	R67 L68 I69 S86 C87 G89 W90 Q691	R67-K71 WeakPolarHBondContact O-CG 3.37Å; R67-K71 PolarHBondContact O-N 3.47Å; L68-K71 PolarHBondContact O-N 3.47Å; I69-K71 PolarHBondContact O-N 3.36Å; I69-K71 VanDerWaalsContact O-N 3.16Å; K71-S86 CarbonylContact C-O 3.13Å; K71-C87 CarbonylContact O-C 3.56Å; K71-C87 WeakPolarHBondContact O-CA 3.4Å; K71-G89 CarbonylContact O-C 3.59Å; K71-G89 VanDerWaalsContact O-CA 3.25Å; K71-G89 WeakPolarHBondContact O-CA 3.23Å; K71-G89 PolarHBondContact O-N 3Å; K71-W90 HydrophobicContact CB-CB 4.05Å; K71-W90 HydrophobicContact CG-CB 4.04Å; K71-W90 HydrophobicContact CG-CG 4.36Å; K71-W90 PolarHBondContact O-N 2.74Å; K71-Q691 HydrophobicContact CB-CG 4.47Å; K71-Q691 HydrophobicContact CD-CB 4.39Å; K71-Q691 HydrophobicContact CD-CG 4.33Å
72	M	96.3	Very high	96.8	Very high	30 Å²	30	46.2 Å²	46.2	15%	0.148	28%	0.275	C	S	.	.			trans	-76.8	158.9	-175.8	72.6	-175.2	-68	0	0	113.2	L68 I69 A74 Y85 S86 I677	L68-M72 PolarHBondContact O-N 3.38Å; I69-M72 PolarHBondContact O-N 3.32Å; M72-A74 HydrophobicContact CE-CB 4.11Å; M72-Y85 CarbonylContact C-O 3.51Å; M72-Y85 VanDerWaalsContact CA-O 3.27Å; M72-Y85 WeakPolarHBondContact CA-O 3.3Å; M72-Y85 WeakPolarHBondContact CB-O 3.42Å; M72-Y85 HydrophobicContact CE-CE1 4.3Å; M72-Y85 HydrophobicContact CE-CE2 3.77Å; M72-Y85 WeakPolarHBondContact CE-OH 3.38Å; M72-S86 WeakPolarHBondContact CA-O 3.42Å; M72-I677 HydrophobicContact SD-CD1 4.13Å
73	D	97.6	Very high	96.9	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.107	26%	0.256	C	S	.	.			trans	-123.6	86.4	173.3	-165.4	21.6	0	0	0	108.9	S75 V76 Q84 Y85 K92	D73-S75 PolarHBondContact O-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 3.44Å; D73-V76 PolarHBondContact O-N 2.85Å; D73-V76 VanDerWaalsContact O-N 3.15Å; D73-Q84 WeakPolarHBondContact CB-O 3.34Å; D73-Q84 PolarHBondContact OD2-NE2 3.18Å; D73-Y85 PolarHBondContact N-O 3.19Å; D73-K92 IonicContact OD1-NZ 3.38Å; D73-K92 PolarHBondContact OD1-NZ 3.32Å; D73-K92 WeakPolarHBondContact OD2-CE 3.48Å; D73-K92 IonicContact OD2-NZ 3.92Å; D73-K92 PolarHBondContact OD2-NZ 3.38Å
74	A	95.1	Very high	97	Very high	79 Å²	79	39.9 Å²	39.9	65%	0.653	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.8	-173.1	0	0	0	0	0	114.5	M72 V76	M72-A74 HydrophobicContact CE-CB 4.11Å; A74-V76 VanDerWaalsContact C-N 3.27Å
75	S	96.6	Very high	97.1	Very high	103 Å²	103	40.4 Å²	40.4	72%	0.72	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.8	174.7	68	0	0	0	0	113.7	D73	D73-S75 PolarHBondContact O-N 2.96Å; D73-S75 PolarHBondContact OD1-OG 3.44Å
76	V	98	Very high	97.2	Very high	33 Å²	33	40.3 Å²	40.3	20%	0.2	24%	0.24	C	C	.	.	S	Bend	trans	-99.3	135.1	178.7	177.2	0	0	0	0	109.2	D73 A74 P78 N81 Q84 Y85	D73-V76 PolarHBondContact O-N 2.85Å; D73-V76 VanDerWaalsContact O-N 3.15Å; A74-V76 VanDerWaalsContact C-N 3.27Å; V76-P78 WeakPolarHBondContact O-CD 3.44Å; V76-N81 HydrophobicContact CG1-CB 4.39Å; V76-Q84 HydrophobicContact CB-CG 4.29Å; V76-Q84 HydrophobicContact CG1-CB 4.14Å; V76-Q84 HydrophobicContact CG1-CG 4.11Å; V76-Q84 HydrophobicContact CG2-CB 4.49Å; V76-Q84 HydrophobicContact CG2-CG 3.59Å; V76-Y85 WeakPolarHBondContact O-CD2 3.4Å
77	D	97.8	Very high	97.3	Very high	80 Å²	80	36.3 Å²	36.3	43%	0.428	21%	0.212	S	C	.	.			trans	-67.1	122.7	174.4	-171.7	-27.7	0	0	0	109.9	C79 D80 N81	D77-C79 PolarHBondContact O-N 3.44Å; D77-C79 VanDerWaalsContact O-N 3.17Å; D77-C79 VanDerWaalsContact OD1-CB 3.31Å; D77-C79 WeakPolarHBondContact OD1-CB 3.46Å; D77-C79 PolarHBondContact OD1-N 3.16Å; D77-D80 HydrophobicContact CB-CB 4.12Å; D77-D80 PolarHBondContact O-N 2.89Å; D77-N81 PolarHBondContact O-N 3.37Å
78	P	97.9	Very high	97.5	Very high	23 Å²	23	34.1 Å²	34.1	15%	0.149	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.8	176.6	23.8	-34.3	0	0	0	113.6	V76 F82 Y85 F732 M740	V76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-F82 HydrophobicContact CB-CD2 3.57Å; P78-F82 HydrophobicContact CB-CE2 3.82Å; P78-F82 WeakPolarHBondContact O-CB 3.4Å; P78-F82 WeakPolarHBondContact O-CD2 3.34Å; P78-Y85 HydrophobicContact CB-CD1 3.89Å; P78-Y85 HydrophobicContact CB-CD2 4.3Å; P78-Y85 HydrophobicContact CB-CE1 4.17Å; P78-Y85 HydrophobicContact CB-CG 3.95Å; P78-F732 HydrophobicContact CB-CD1 3.66Å; P78-F732 HydrophobicContact CB-CE1 4.09Å; P78-F732 HydrophobicContact CB-CG 4.22Å; P78-F732 HydrophobicContact CG-CB 4.47Å; P78-F732 HydrophobicContact CG-CD1 3.64Å; P78-F732 HydrophobicContact CG-CE1 4.33Å; P78-F732 HydrophobicContact CG-CG 4.37Å; P78-M740 WeakPolarHBondContact O-CG 3.5Å
79	C	98.2	Very high	97.4	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.034	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.3	178.8	-60.7	0	0	0	0	113.6	D77 C734 S738 N739 M740	D77-C79 PolarHBondContact O-N 3.44Å; D77-C79 VanDerWaalsContact O-N 3.17Å; D77-C79 VanDerWaalsContact OD1-CB 3.31Å; D77-C79 WeakPolarHBondContact OD1-CB 3.46Å; D77-C79 PolarHBondContact OD1-N 3.16Å; C79-C734 VanDerWaalsContact CA-SG 3.53Å; C79-C734 HydrophobicContact CB-CB 3.66Å; C79-C734 WeakPolarHBondContact CB-SG 3.45Å; C79-C734 WeakPolarHBondContact SG-CA 3.45Å; C79-C734 WeakPolarHBondContact SG-CB 3.35Å; C79-C734 CovalentContact SG-SG 2.04Å; C79-C734 PolarHBondContact SG-SG 3.05Å; C79-S738 WeakPolarHBondContact O-CB 3.45Å; C79-N739 PolarHBondContact O-N 3.22Å; C79-M740 VanDerWaalsContact O-CB 3.25Å; C79-M740 WeakPolarHBondContact O-CB 3.49Å; C79-M740 WeakPolarHBondContact O-CG 3.49Å; C79-M740 PolarHBondContact O-N 3.17Å
80	D	97.8	Very high	97.5	Very high	81 Å²	81	31.7 Å²	31.7	43%	0.433	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-47.5	175.5	-75.2	-16.8	0	0	0	112.1	D77 N739	D77-D80 HydrophobicContact CB-CB 4.12Å; D77-D80 PolarHBondContact O-N 2.89Å; D80-N739 WeakPolarHBondContact O-CB 3.49Å
81	N	97.8	Very high	97.5	Very high	55 Å²	55	33 Å²	33	29%	0.294	19%	0.193	S	C	.	.			trans	-151.8	91.2	177.3	-172.6	-27.3	0	0	0	110.8	V76 D77 Y83 Q84 Y85	V76-N81 HydrophobicContact CG1-CB 4.39Å; D77-N81 PolarHBondContact O-N 3.37Å; N81-Y83 VanDerWaalsContact C-N 3.26Å; N81-Y83 PolarHBondContact O-N 2.69Å; N81-Y83 PolarHBondContact OD1-N 2.87Å; N81-Q84 HydrophobicContact CB-CB 4.13Å; N81-Q84 PolarHBondContact O-N 2.94Å; N81-Q84 PolarHBondContact OD1-N 2.85Å; N81-Y85 PolarHBondContact O-N 3.45Å
82	F	98.6	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-28.5	-176.3	-162	-107.2	0	0	0	113.6	P78 Y85 S86 F686 A690 V718 L722 F728 F732 M740	P78-F82 HydrophobicContact CB-CD2 3.57Å; P78-F82 HydrophobicContact CB-CE2 3.82Å; P78-F82 WeakPolarHBondContact O-CB 3.4Å; P78-F82 WeakPolarHBondContact O-CD2 3.34Å; F82-Y85 AromaticContact CD2-CD1 3.9Å; F82-Y85 HydrophobicContact CD2-CD1 3.9Å; F82-Y85 AromaticContact CE2-CD1 3.6Å; F82-Y85 HydrophobicContact CE2-CD1 3.6Å; F82-Y85 AromaticContact CE2-CE1 3.9Å; F82-Y85 HydrophobicContact CE2-CE1 3.9Å; F82-Y85 HydrophobicContact CZ-CD1 4.3Å; F82-Y85 HydrophobicContact CZ-CE1 4.49Å; F82-S86 VanDerWaalsContact O-CB 3.28Å; F82-S86 WeakPolarHBondContact O-CB 3.39Å; F82-S86 PolarHBondContact O-N 3.3Å; F82-S86 PolarHBondContact O-OG 2.68Å; F82-F686 HydrophobicContact CE1-CB 4.18Å; F82-F686 WeakPolarHBondContact CE1-O 3.19Å; F82-F686 HydrophobicContact CZ-CB 4.02Å; F82-A690 HydrophobicContact CD1-CB 3.8Å; F82-A690 HydrophobicContact CE1-CB 3.63Å; F82-V718 HydrophobicContact CD1-CG1 4.15Å; F82-L722 HydrophobicContact CB-CD1 4.24Å; F82-L722 HydrophobicContact CD1-CD1 3.19Å; F82-L722 HydrophobicContact CE1-CD1 3.71Å; F82-L722 HydrophobicContact CG-CD1 3.89Å; F82-F728 HydrophobicContact CB-CE2 4.47Å; F82-F728 HydrophobicContact CB-CZ 4.02Å; F82-F728 AromaticContact CD1-CE2 4Å; F82-F728 HydrophobicContact CD1-CE2 4Å; F82-F728 HydrophobicContact CD1-CZ 4.39Å; F82-F728 AromaticContact CD2-CE2 3.44Å; F82-F728 HydrophobicContact CD2-CE2 3.44Å; F82-F728 VanDerWaalsContact CD2-CE2 3.44Å; F82-F728 AromaticContact CD2-CZ 3.48Å; F82-F728 HydrophobicContact CD2-CZ 3.48Å; F82-F728 VanDerWaalsContact CD2-CZ 3.48Å; F82-F728 HydrophobicContact CE1-CE2 4.01Å; F82-F728 AromaticContact CE2-CE2 3.51Å; F82-F728 HydrophobicContact CE2-CE2 3.51Å; F82-F728 HydrophobicContact CE2-CZ 4.01Å; F82-F728 AromaticContact CG-CE2 3.69Å; F82-F728 HydrophobicContact CG-CE2 3.69Å; F82-F728 AromaticContact CG-CZ 3.69Å; F82-F728 HydrophobicContact CG-CZ 3.69Å; F82-F728 AromaticContact CZ-CE2 3.78Å; F82-F728 HydrophobicContact CZ-CE2 3.78Å; F82-F732 HydrophobicContact CE2-CD1 4.29Å; F82-F732 HydrophobicContact CE2-CD2 4.21Å; F82-F732 AromaticContact CE2-CE1 3.77Å; F82-F732 HydrophobicContact CE2-CE1 3.77Å; F82-F732 AromaticContact CE2-CE2 3.67Å; F82-F732 HydrophobicContact CE2-CE2 3.67Å; F82-F732 HydrophobicContact CE2-CG 4.49Å; F82-F732 AromaticContact CE2-CZ 3.42Å; F82-F732 HydrophobicContact CE2-CZ 3.42Å; F82-F732 VanDerWaalsContact CE2-CZ 3.42Å; F82-F732 HydrophobicContact CZ-CE1 4.39Å; F82-F732 AromaticContact CZ-CE2 3.82Å; F82-F732 HydrophobicContact CZ-CE2 3.82Å; F82-F732 AromaticContact CZ-CZ 3.64Å; F82-F732 HydrophobicContact CZ-CZ 3.64Å; F82-M740 HydrophobicContact CB-CE 3.68Å; F82-M740 HydrophobicContact CB-CG 4.35Å; F82-M740 HydrophobicContact CB-SD 4.06Å
83	Y	98.3	Very high	97.3	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-44.2	175.3	-175.4	-102.2	0	0	0	111.2	N81 S86 C87 L91 W693 G695 V714 M715 V718	N81-Y83 VanDerWaalsContact C-N 3.26Å; N81-Y83 PolarHBondContact O-N 2.69Å; N81-Y83 PolarHBondContact OD1-N 2.87Å; Y83-S86 PolarHBondContact O-N 2.84Å; Y83-S86 PolarHBondContact O-OG 3.4Å; Y83-C87 HydrophobicContact CE1-CB 4.44Å; Y83-C87 HydrophobicContact CE2-CB 4.22Å; Y83-C87 VanDerWaalsContact O-CB 3.3Å; Y83-C87 WeakPolarHBondContact O-CB 3.36Å; Y83-C87 PolarHBondContact O-N 2.78Å; Y83-L91 HydrophobicContact CE1-CD1 3.93Å; Y83-W693 PolarHBondContact OH-O 3.1Å; Y83-G695 PolarHBondContact OH-N 3.4Å; Y83-G695 PolarHBondContact OH-O 3.29Å; Y83-V714 HydrophobicContact CE2-CG2 4.41Å; Y83-M715 HydrophobicContact CD1-CB 3.68Å; Y83-M715 HydrophobicContact CD2-CB 4.08Å; Y83-M715 HydrophobicContact CE1-CB 3.78Å; Y83-M715 HydrophobicContact CE2-CB 4.18Å; Y83-M715 HydrophobicContact CG-CB 3.83Å; Y83-V718 HydrophobicContact CD2-CB 4.19Å; Y83-V718 HydrophobicContact CD2-CG2 4.02Å
84	Q	98.3	Very high	97.2	Very high	55 Å²	55	45.3 Å²	45.3	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-40	176	-177.5	63.3	23.6	0	0	111.6	D73 V76 N81 S86 G88	D73-Q84 WeakPolarHBondContact CB-O 3.34Å; D73-Q84 PolarHBondContact OD2-NE2 3.18Å; V76-Q84 HydrophobicContact CB-CG 4.29Å; V76-Q84 HydrophobicContact CG1-CB 4.14Å; V76-Q84 HydrophobicContact CG1-CG 4.11Å; V76-Q84 HydrophobicContact CG2-CB 4.49Å; V76-Q84 HydrophobicContact CG2-CG 3.59Å; N81-Q84 HydrophobicContact CB-CB 4.13Å; N81-Q84 PolarHBondContact O-N 2.94Å; N81-Q84 PolarHBondContact OD1-N 2.85Å; Q84-S86 PolarHBondContact O-N 3.33Å; Q84-G88 WeakPolarHBondContact O-CA 3.22Å; Q84-G88 PolarHBondContact O-N 3.22Å
85	Y	98.6	Very high	97.1	Very high	18 Å²	18	48.7 Å²	48.7	7%	0.071	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-45.5	172.9	170.3	-101	0	0	0	112.3	M72 D73 V76 P78 N81 F82 L687 F732	M72-Y85 CarbonylContact C-O 3.51Å; M72-Y85 VanDerWaalsContact CA-O 3.27Å; M72-Y85 WeakPolarHBondContact CA-O 3.3Å; M72-Y85 WeakPolarHBondContact CB-O 3.42Å; M72-Y85 HydrophobicContact CE-CE1 4.3Å; M72-Y85 HydrophobicContact CE-CE2 3.77Å; M72-Y85 WeakPolarHBondContact CE-OH 3.38Å; D73-Y85 PolarHBondContact N-O 3.19Å; V76-Y85 WeakPolarHBondContact O-CD2 3.4Å; P78-Y85 HydrophobicContact CB-CD1 3.89Å; P78-Y85 HydrophobicContact CB-CD2 4.3Å; P78-Y85 HydrophobicContact CB-CE1 4.17Å; P78-Y85 HydrophobicContact CB-CG 3.95Å; N81-Y85 PolarHBondContact O-N 3.45Å; F82-Y85 AromaticContact CD2-CD1 3.9Å; F82-Y85 HydrophobicContact CD2-CD1 3.9Å; F82-Y85 AromaticContact CE2-CD1 3.6Å; F82-Y85 HydrophobicContact CE2-CD1 3.6Å; F82-Y85 AromaticContact CE2-CE1 3.9Å; F82-Y85 HydrophobicContact CE2-CE1 3.9Å; F82-Y85 HydrophobicContact CZ-CD1 4.3Å; F82-Y85 HydrophobicContact CZ-CE1 4.49Å; Y85-L687 HydrophobicContact CE1-CD1 4.17Å; Y85-F732 HydrophobicContact CE1-CE1 4.17Å
86	S	98.3	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-81.4	-32.4	-174.6	56.7	0	0	0	0	114.5	K71 M72 F82 Y83 Q84 A690 Q691	K71-S86 CarbonylContact C-O 3.13Å; M72-S86 WeakPolarHBondContact CA-O 3.42Å; F82-S86 VanDerWaalsContact O-CB 3.28Å; F82-S86 WeakPolarHBondContact O-CB 3.39Å; F82-S86 PolarHBondContact O-N 3.3Å; F82-S86 PolarHBondContact O-OG 2.68Å; Y83-S86 PolarHBondContact O-N 2.84Å; Y83-S86 PolarHBondContact O-OG 3.4Å; Q84-S86 PolarHBondContact O-N 3.33Å; S86-A690 WeakPolarHBondContact OG-CB 3.35Å; S86-Q691 WeakPolarHBondContact O-CG 3.27Å; S86-Q691 PolarHBondContact O-NE2 3.3Å
87	C	98.3	Very high	96.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-118.9	-6.8	-172.4	-65.8	0	0	0	0	114.8	K71 Y83 G89 W90 L91 C694	K71-C87 CarbonylContact O-C 3.56Å; K71-C87 WeakPolarHBondContact O-CA 3.4Å; Y83-C87 HydrophobicContact CE1-CB 4.44Å; Y83-C87 HydrophobicContact CE2-CB 4.22Å; Y83-C87 VanDerWaalsContact O-CB 3.3Å; Y83-C87 WeakPolarHBondContact O-CB 3.36Å; Y83-C87 PolarHBondContact O-N 2.78Å; C87-G89 VanDerWaalsContact C-N 3.3Å; C87-G89 PolarHBondContact O-N 2.7Å; C87-W90 WeakPolarHBondContact O-CA 3.31Å; C87-W90 WeakPolarHBondContact O-CB 3.45Å; C87-W90 PolarHBondContact O-N 2.93Å; C87-L91 WeakPolarHBondContact O-CG 3.37Å; C87-L91 PolarHBondContact O-N 2.83Å; C87-C694 VanDerWaalsContact CA-SG 3.52Å; C87-C694 HydrophobicContact CB-CB 3.82Å; C87-C694 WeakPolarHBondContact CB-SG 3.46Å; C87-C694 WeakPolarHBondContact SG-CA 3.01Å; C87-C694 WeakPolarHBondContact SG-CB 3.21Å; C87-C694 CovalentContact SG-SG 2.04Å; C87-C694 PolarHBondContact SG-SG 3.08Å
88	G	97.7	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-36.4	-172.4	0	0	0	0	0	113.8	Q84 L91 K92	Q84-G88 WeakPolarHBondContact O-CA 3.22Å; Q84-G88 PolarHBondContact O-N 3.22Å; G88-L91 PolarHBondContact O-N 3.35Å; G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.36Å; G88-K92 PolarHBondContact O-N 3.36Å
89	G	97.1	Very high	96.2	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-38.7	172.8	0	0	0	0	0	112.4	K71 C87 K93	K71-G89 CarbonylContact O-C 3.59Å; K71-G89 VanDerWaalsContact O-CA 3.25Å; K71-G89 WeakPolarHBondContact O-CA 3.23Å; K71-G89 PolarHBondContact O-N 3Å; C87-G89 VanDerWaalsContact C-N 3.3Å; C87-G89 PolarHBondContact O-N 2.7Å; G89-K93 WeakPolarHBondContact O-CG 3.39Å; G89-K93 PolarHBondContact O-N 3.23Å
90	W	96.7	Very high	95.9	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.045	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-45	174.1	-172.7	89.8	0	0	0	111.3	K71 C87 K92 K93 N94 Y103 I108 C694	K71-W90 HydrophobicContact CB-CB 4.05Å; K71-W90 HydrophobicContact CG-CB 4.04Å; K71-W90 HydrophobicContact CG-CG 4.36Å; K71-W90 PolarHBondContact O-N 2.74Å; C87-W90 WeakPolarHBondContact O-CA 3.31Å; C87-W90 WeakPolarHBondContact O-CB 3.45Å; C87-W90 PolarHBondContact O-N 2.93Å; W90-K92 VanDerWaalsContact C-N 3.33Å; W90-K92 PolarHBondContact O-N 3.14Å; W90-K93 PolarHBondContact O-N 3.02Å; W90-N94 VanDerWaalsContact CD1-ND2 3.27Å; W90-N94 HydrophobicContact CD2-CB 4.15Å; W90-N94 VanDerWaalsContact CE2-CG 3.49Å; W90-N94 HydrophobicContact CE3-CB 4.29Å; W90-N94 HydrophobicContact CH2-CB 3.89Å; W90-N94 HydrophobicContact CZ2-CB 3.76Å; W90-N94 HydrophobicContact CZ3-CB 4.17Å; W90-N94 PolarHBondContact NE1-ND2 3.46Å; W90-N94 WeakPolarHBondContact O-CB 3.24Å; W90-N94 PolarHBondContact O-N 2.98Å; W90-N94 PolarHBondContact O-ND2 3.44Å; W90-Y103 AromaticContact CH2-CD1 3.98Å; W90-Y103 HydrophobicContact CH2-CD1 3.98Å; W90-Y103 VanDerWaalsContact CH2-O 3.29Å; W90-Y103 WeakPolarHBondContact CH2-O 3.4Å; W90-Y103 HydrophobicContact CZ2-CD1 4.01Å; W90-Y103 HydrophobicContact CZ2-CE1 4.27Å; W90-I108 HydrophobicContact CZ2-CD1 4.18Å; W90-C694 HydrophobicContact CB-CB 4.48Å; W90-C694 HydrophobicContact CD2-CB 4.09Å; W90-C694 HydrophobicContact CE3-CB 4.2Å; W90-C694 HydrophobicContact CG-CB 4.21Å
91	L	96.1	Very high	95.7	Very high	52 Å²	52	44.9 Å²	44.9	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-37.8	179.2	-65.9	170.2	0	0	0	112.3	Y83 C87 G88 G695	Y83-L91 HydrophobicContact CE1-CD1 3.93Å; C87-L91 WeakPolarHBondContact O-CG 3.37Å; C87-L91 PolarHBondContact O-N 2.83Å; G88-L91 PolarHBondContact O-N 3.35Å; L91-G695 WeakPolarHBondContact CD2-O 3.3Å
92	K	94.5	Very high	95.4	Very high	139 Å²	139	46 Å²	46	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-67.4	-34.7	175.5	-71.5	171.3	-168.6	170.5	0	112.7	D73 G88 W90	D73-K92 IonicContact OD1-NZ 3.38Å; D73-K92 PolarHBondContact OD1-NZ 3.32Å; D73-K92 WeakPolarHBondContact OD2-CE 3.48Å; D73-K92 IonicContact OD2-NZ 3.92Å; D73-K92 PolarHBondContact OD2-NZ 3.38Å; G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.36Å; G88-K92 PolarHBondContact O-N 3.36Å; W90-K92 VanDerWaalsContact C-N 3.33Å; W90-K92 PolarHBondContact O-N 3.14Å
93	K	94.8	Very high	95.3	Very high	148 Å²	148	48 Å²	48	64%	0.643	23%	0.232	S	C	*	.	H	α-helix	trans	-88.1	-25.8	-175.2	-70.5	173.1	-174.9	169.5	0	114.1	G70 G89 W90	G70-K93 PolarHBondContact O-NZ 3.25Å; G89-K93 WeakPolarHBondContact O-CG 3.39Å; G89-K93 PolarHBondContact O-N 3.23Å; W90-K93 PolarHBondContact O-N 3.02Å
94	N	94.4	Very high	95.2	Very high	46 Å²	46	47.7 Å²	47.7	25%	0.246	23%	0.232	C	C	.	.			trans	-108.1	122.6	-169.9	-69.9	-92.8	0	0	0	111.8	W90	W90-N94 VanDerWaalsContact CD1-ND2 3.27Å; W90-N94 HydrophobicContact CD2-CB 4.15Å; W90-N94 VanDerWaalsContact CE2-CG 3.49Å; W90-N94 HydrophobicContact CE3-CB 4.29Å; W90-N94 HydrophobicContact CH2-CB 3.89Å; W90-N94 HydrophobicContact CZ2-CB 3.76Å; W90-N94 HydrophobicContact CZ3-CB 4.17Å; W90-N94 PolarHBondContact NE1-ND2 3.46Å; W90-N94 WeakPolarHBondContact O-CB 3.24Å; W90-N94 PolarHBondContact O-N 2.98Å; W90-N94 PolarHBondContact O-ND2 3.44Å
95	I	93.4	Very high	94.8	Very high	149 Å²	149	45.5 Å²	45.5	76%	0.764	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-99.9	137.7	172	-58.6	172.2	0	0	0	108.1	P97	I95-P97 WeakPolarHBondContact O-CD 3.44Å; I95-P97 VanDerWaalsContact O-N 3.17Å
96	I	94.3	Very high	94.5	Very high	24 Å²	24	47.6 Å²	47.6	12%	0.123	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-61	117.9	175.9	-56.9	174.7	0	0	0	108.8	H100 S696 R698	I96-H100 HydrophobicContact CG2-CB 4.11Å; I96-H100 WeakPolarHBondContact CG2-O 3.45Å; I96-S696 WeakPolarHBondContact CG1-OG 3.37Å; I96-R698 HydrophobicContact CD1-CG 3.9Å; I96-R698 HydrophobicContact CG2-CG 4.18Å; I96-R698 PolarHBondContact O-NH2 3.41Å
97	P	94.3	Very high	94.3	Very high	41 Å²	41	49.1 Å²	49.1	27%	0.266	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-58.4	152.1	177.6	-24.6	34.5	0	0	0	111.8	I95 T99 H100 Y103 R698	I95-P97 WeakPolarHBondContact O-CD 3.44Å; I95-P97 VanDerWaalsContact O-N 3.17Å; P97-T99 PolarHBondContact O-N 2.79Å; P97-T99 VanDerWaalsContact O-N 3.08Å; P97-H100 HydrophobicContact CB-CB 4.49Å; P97-H100 PolarHBondContact O-N 3.43Å; P97-Y103 VanDerWaalsContact CD-CG 3.47Å; P97-Y103 HydrophobicContact CG-CD1 4.46Å; P97-Y103 HydrophobicContact CG-CD2 3.96Å; P97-Y103 HydrophobicContact CG-CE1 4.37Å; P97-Y103 HydrophobicContact CG-CE2 3.88Å; P97-Y103 HydrophobicContact CG-CG 4.26Å; P97-R698 PolarHBondContact O-NH2 3.13Å
98	E	92.2	Very high	94.1	Very high	114 Å²	114	51 Å²	51	53%	0.533	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.3	-179.6	-68.3	-166.2	148.6	0	0	113.8	H100 I402 S403	E98-H100 VanDerWaalsContact C-N 3.32Å; E98-I402 HydrophobicContact CB-CB 4.09Å; E98-I402 HydrophobicContact CG-CB 4.43Å; E98-I402 HydrophobicContact CG-CD1 4.28Å; E98-I402 PolarHBondContact O-N 3.07Å; E98-S403 PolarHBondContact O-N 3.06Å
99	T	90.9	Very high	93.9	Very high	36 Å²	36	51.2 Å²	51.2	22%	0.221	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.6	-179.7	57.7	0	0	0	0	113.9	P97 S403 E404	P97-T99 PolarHBondContact O-N 2.79Å; P97-T99 VanDerWaalsContact O-N 3.08Å; T99-S403 WeakPolarHBondContact CA-O 3.23Å; T99-E404 WeakPolarHBondContact CG2-O 3.37Å
100	H	92.5	Very high	93.8	Very high	23 Å²	23	54.9 Å²	54.9	11%	0.106	26%	0.263	C	S	.	.			trans	-120.3	144	-173.1	-71.2	77	0	0	0	111.8	I96 P97 E98 R698	I96-H100 HydrophobicContact CG2-CB 4.11Å; I96-H100 WeakPolarHBondContact CG2-O 3.45Å; P97-H100 HydrophobicContact CB-CB 4.49Å; P97-H100 PolarHBondContact O-N 3.43Å; E98-H100 VanDerWaalsContact C-N 3.32Å; H100-R698 PolarHBondContact O-NE 2.9Å
101	A	92	Very high	93.7	Very high	7 Å²	7	55.5 Å²	55.5	6%	0.058	27%	0.271	C	S	.	.	S	Bend	trans	-98	-31.2	175.9	0	0	0	0	0	111.9	T399 K401 R698 Q701	A101-T399 WeakPolarHBondContact CB-O 3.37Å; A101-K401 HydrophobicContact CB-CG 4.1Å; A101-R698 WeakPolarHBondContact O-CB 3.5Å; A101-R698 WeakPolarHBondContact O-CG 3.39Å; A101-R698 PolarHBondContact O-N 3.42Å; A101-Q701 HydrophobicContact CB-CB 3.9Å; A101-Q701 HydrophobicContact CB-CG 3.86Å; A101-Q701 VanDerWaalsContact O-CB 3.31Å; A101-Q701 WeakPolarHBondContact O-CB 3.45Å
102	K	93.3	Very high	93.7	Very high	78 Å²	78	57.8 Å²	57.8	34%	0.339	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.7	165.3	66.4	-178.8	-177.1	-179.8	0	108.6	N107 S696 Y697 Q701	K102-N107 PolarHBondContact O-OD1 3.35Å; K102-S696 CarbonylContact C-O 3.47Å; K102-S696 VanDerWaalsContact CA-O 3.27Å; K102-S696 WeakPolarHBondContact CA-O 3.46Å; K102-Y697 HydrophobicContact CB-CD1 3.76Å; K102-Y697 HydrophobicContact CB-CE1 4Å; K102-Y697 HydrophobicContact CB-CG 4.14Å; K102-Y697 HydrophobicContact CD-CD1 4.27Å; K102-Y697 HydrophobicContact CD-CE1 3.68Å; K102-Y697 HydrophobicContact CG-CE1 4.49Å; K102-Q701 HydrophobicContact CB-CG 4.21Å
103	Y	95.8	Very high	93.8	Very high	44 Å²	44	51.5 Å²	51.5	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.6	178.1	-164.9	-117.9	0	0	0	109.9	W90 P97 N107 I108 G695 S696	W90-Y103 AromaticContact CH2-CD1 3.98Å; W90-Y103 HydrophobicContact CH2-CD1 3.98Å; W90-Y103 VanDerWaalsContact CH2-O 3.29Å; W90-Y103 WeakPolarHBondContact CH2-O 3.4Å; W90-Y103 HydrophobicContact CZ2-CD1 4.01Å; W90-Y103 HydrophobicContact CZ2-CE1 4.27Å; P97-Y103 VanDerWaalsContact CD-CG 3.47Å; P97-Y103 HydrophobicContact CG-CD1 4.46Å; P97-Y103 HydrophobicContact CG-CD2 3.96Å; P97-Y103 HydrophobicContact CG-CE1 4.37Å; P97-Y103 HydrophobicContact CG-CE2 3.88Å; P97-Y103 HydrophobicContact CG-CG 4.26Å; Y103-N107 WeakPolarHBondContact CA-OD1 3.42Å; Y103-N107 HydrophobicContact CD2-CB 3.71Å; Y103-N107 HydrophobicContact CE2-CB 3.97Å; Y103-I108 HydrophobicContact CE1-CD1 4.47Å; Y103-I108 HydrophobicContact CE1-CG1 4.27Å; Y103-I108 HydrophobicContact CE2-CG1 4.31Å; Y103-G695 CarbonylContact O-C 3.59Å; Y103-G695 WeakPolarHBondContact O-CA 3.36Å; Y103-S696 PolarHBondContact N-O 3.23Å; Y103-S696 PolarHBondContact O-N 3.41Å
104	G	95	Very high	93.9	Very high	6 Å²	6	44.5 Å²	44.5	6%	0.062	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-168.7	-177.7	0	0	0	0	0	110.4	Y106 N107 I108 C694	G104-Y106 PolarHBondContact O-N 3.28Å; G104-N107 PolarHBondContact N-OD1 2.96Å; G104-N107 WeakPolarHBondContact O-CB 3.4Å; G104-N107 PolarHBondContact O-N 3.42Å; G104-I108 PolarHBondContact O-N 2.96Å; G104-I108 VanDerWaalsContact O-N 3.14Å; G104-C694 WeakPolarHBondContact CA-O 3.21Å
105	L	91.6	Very high	94	Very high	10 Å²	10	46 Å²	46	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-54	-49.6	-176.1	178.3	68.1	0	0	0	113.4	N107 I108 L109 P562 F563 I692 C694	L105-N107 PolarHBondContact O-N 3.27Å; L105-I108 WeakPolarHBondContact O-CB 3.47Å; L105-I108 PolarHBondContact O-N 3.08Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.12Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.31Å; L105-L109 PolarHBondContact O-N 3.28Å; L105-P562 HydrophobicContact CD1-CG 3.8Å; L105-P562 HydrophobicContact CD2-CG 3.21Å; L105-P562 HydrophobicContact CG-CG 4.12Å; L105-F563 HydrophobicContact CD2-CE2 3.82Å; L105-F563 HydrophobicContact CD2-CZ 3.94Å; L105-I692 HydrophobicContact CD2-CB 4.07Å; L105-I692 HydrophobicContact CD2-CG2 4.21Å; L105-C694 PolarHBondContact N-O 3.1Å
106	Y	91.2	Very high	94.2	Very high	62 Å²	62	40.8 Å²	40.8	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-34.1	178.9	-74.9	-97.5	0	0	0	112.5	G104 K110 I541 F563 W693	G104-Y106 PolarHBondContact O-N 3.28Å; Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.31Å; Y106-I541 HydrophobicContact CD1-CG2 3.98Å; Y106-I541 HydrophobicContact CE1-CG2 4.47Å; Y106-F563 HydrophobicContact CD2-CZ 4.46Å; Y106-F563 HydrophobicContact CE1-CZ 4.03Å; Y106-F563 HydrophobicContact CE2-CE1 4.49Å; Y106-F563 AromaticContact CE2-CZ 3.79Å; Y106-F563 HydrophobicContact CE2-CZ 3.79Å; Y106-F563 AromaticContact CZ-CZ 3.54Å; Y106-W693 HydrophobicContact CE2-CE3 4.39Å; Y106-W693 HydrophobicContact CE2-CZ3 4.09Å
107	N	93.9	Very high	94.4	Very high	31 Å²	31	39.7 Å²	39.7	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-72.6	-36.9	176.6	-62.3	108.1	0	0	0	112.4	K102 Y103 G104 L105 K110 A111	K102-N107 PolarHBondContact O-OD1 3.35Å; Y103-N107 WeakPolarHBondContact CA-OD1 3.42Å; Y103-N107 HydrophobicContact CD2-CB 3.71Å; Y103-N107 HydrophobicContact CE2-CB 3.97Å; G104-N107 PolarHBondContact N-OD1 2.96Å; G104-N107 WeakPolarHBondContact O-CB 3.4Å; G104-N107 PolarHBondContact O-N 3.42Å; L105-N107 PolarHBondContact O-N 3.27Å; N107-K110 PolarHBondContact O-N 2.99Å; N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.04Å
108	I	94.1	Very high	94.6	Very high	39 Å²	39	40.6 Å²	40.6	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-53.4	177	-66.3	167.3	0	0	0	109.5	W90 Y103 G104 L105 K110 A111 E112	W90-I108 HydrophobicContact CZ2-CD1 4.18Å; Y103-I108 HydrophobicContact CE1-CD1 4.47Å; Y103-I108 HydrophobicContact CE1-CG1 4.27Å; Y103-I108 HydrophobicContact CE2-CG1 4.31Å; G104-I108 PolarHBondContact O-N 2.96Å; G104-I108 VanDerWaalsContact O-N 3.14Å; L105-I108 WeakPolarHBondContact O-CB 3.47Å; L105-I108 PolarHBondContact O-N 3.08Å; I108-K110 PolarHBondContact O-N 2.69Å; I108-A111 WeakPolarHBondContact O-CA 3.32Å; I108-A111 WeakPolarHBondContact O-CB 3.02Å; I108-A111 PolarHBondContact O-N 3.28Å; I108-E112 PolarHBondContact O-N 3.13Å
109	L	94.3	Very high	94.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-39.5	177.8	-63.3	178.7	0	0	0	111.3	L105 A111 E112 L113 I541 Q560 P561 F563	L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.12Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.31Å; L105-L109 PolarHBondContact O-N 3.28Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 3.19Å; L109-E112 PolarHBondContact O-N 3Å; L109-L113 WeakPolarHBondContact O-CB 3.5Å; L109-L113 PolarHBondContact O-N 3.19Å; L109-I541 HydrophobicContact CB-CD1 3.68Å; L109-I541 HydrophobicContact CB-CG1 4.35Å; L109-I541 HydrophobicContact CB-CG2 4.23Å; L109-I541 HydrophobicContact CD1-CG2 4.16Å; L109-I541 VanDerWaalsContact O-CD1 3.3Å; L109-I541 WeakPolarHBondContact O-CD1 3.36Å; L109-Q560 HydrophobicContact CD2-CG 4.37Å; L109-P561 WeakPolarHBondContact CD2-O 3.48Å; L109-F563 HydrophobicContact CD1-CD2 3.91Å; L109-F563 HydrophobicContact CD1-CE2 3.56Å
110	K	94.9	Very high	95.2	Very high	86 Å²	86	36 Å²	36	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-37.7	176.4	-173.6	170.5	-176.5	166.1	0	111.7	Y106 N107 I108 E112 E114 I541	Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.31Å; N107-K110 PolarHBondContact O-N 2.99Å; I108-K110 PolarHBondContact O-N 2.69Å; K110-E112 VanDerWaalsContact C-N 3.32Å; K110-E114 HydrophobicContact CG-CG 4.5Å; K110-E114 WeakPolarHBondContact O-CB 2.98Å; K110-E114 WeakPolarHBondContact O-CG 3.36Å; K110-E114 PolarHBondContact O-N 2.91Å; K110-I541 HydrophobicContact CB-CD1 3.97Å
111	A	94.6	Very high	95.5	Very high	26 Å²	26	34.9 Å²	34.9	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-33.3	176.4	0	0	0	0	0	112.4	N107 I108 L109 V115 R409	N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.04Å; I108-A111 WeakPolarHBondContact O-CA 3.32Å; I108-A111 WeakPolarHBondContact O-CB 3.02Å; I108-A111 PolarHBondContact O-N 3.28Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 3.19Å; A111-V115 WeakPolarHBondContact O-CG2 3.13Å; A111-V115 PolarHBondContact O-N 3.25Å; A111-R409 PolarHBondContact O-NH1 3.21Å
112	E	94.9	Very high	95.7	Very high	100 Å²	100	38.5 Å²	38.5	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-71.9	-47	174.6	-69.2	169.5	-175.6	0	0	111.4	I108 L109 K110 E114 V115 V116	I108-E112 PolarHBondContact O-N 3.13Å; L109-E112 PolarHBondContact O-N 3Å; K110-E112 VanDerWaalsContact C-N 3.32Å; E112-E114 VanDerWaalsContact C-N 3.3Å; E112-E114 PolarHBondContact O-N 3.06Å; E112-V115 WeakPolarHBondContact O-CA 3.49Å; E112-V115 WeakPolarHBondContact O-CB 3.49Å; E112-V115 PolarHBondContact O-N 3.23Å; E112-V116 PolarHBondContact O-N 3.02Å
113	L	96.5	Very high	95.8	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-44.8	172.9	-179.5	150.2	0	0	0	111.3	L109 V115 V116 L117 Y427 A539 I541	L109-L113 WeakPolarHBondContact O-CB 3.5Å; L109-L113 PolarHBondContact O-N 3.19Å; L113-V115 PolarHBondContact O-N 3.37Å; L113-V116 WeakPolarHBondContact O-CB 3.25Å; L113-V116 PolarHBondContact O-N 3.14Å; L113-V116 VanDerWaalsContact O-N 3.12Å; L113-L117 HydrophobicContact CD2-CD1 3.59Å; L113-L117 HydrophobicContact CD2-CD2 4.5Å; L113-L117 HydrophobicContact CD2-CG 3.81Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.89Å; L113-Y427 HydrophobicContact CB-CE2 4.46Å; L113-Y427 HydrophobicContact CD1-CD2 4.48Å; L113-Y427 HydrophobicContact CD1-CE2 3.86Å; L113-Y427 HydrophobicContact CG-CD2 4.25Å; L113-Y427 HydrophobicContact CG-CE2 3.76Å; L113-A539 HydrophobicContact CD1-CB 4.5Å; L113-I541 HydrophobicContact CB-CD1 3.89Å; L113-I541 HydrophobicContact CD1-CD1 3.9Å; L113-I541 HydrophobicContact CD1-CG1 3.94Å; L113-I541 HydrophobicContact CG-CD1 4.49Å
114	E	97.3	Very high	95.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-54.6	-38.4	175.2	-77	166.2	-165.2	0	0	111.5	K110 E112 L117 K118 K405 W408 R409 L413	K110-E114 HydrophobicContact CG-CG 4.5Å; K110-E114 WeakPolarHBondContact O-CB 2.98Å; K110-E114 WeakPolarHBondContact O-CG 3.36Å; K110-E114 PolarHBondContact O-N 2.91Å; E112-E114 VanDerWaalsContact C-N 3.3Å; E112-E114 PolarHBondContact O-N 3.06Å; E114-L117 PolarHBondContact O-N 2.75Å; E114-K118 PolarHBondContact O-N 2.94Å; E114-K405 IonicContact OE1-NZ 3.67Å; E114-K405 PolarHBondContact OE1-NZ 2.91Å; E114-W408 HydrophobicContact CB-CZ3 4.17Å; E114-W408 WeakPolarHBondContact O-CZ3 3.42Å; E114-R409 HydrophobicContact CB-CG 4.48Å; E114-R409 WeakPolarHBondContact OE2-CB 2.98Å; E114-R409 WeakPolarHBondContact OE2-CD 3.26Å; E114-R409 VanDerWaalsContact OE2-CG 3.25Å; E114-R409 WeakPolarHBondContact OE2-CG 3.24Å; E114-R409 IonicContact OE2-CZ 3.08Å; E114-R409 IonicContact OE2-NE 2.69Å; E114-R409 IonicContact OE2-NH1 2.67Å; E114-R409 PolarHBondContact OE2-NH1 3.13Å; E114-L413 HydrophobicContact CG-CD1 4.37Å; E114-L413 HydrophobicContact CG-CD2 3.85Å; E114-L413 HydrophobicContact CG-CG 3.97Å; E114-L413 WeakPolarHBondContact OE1-CD1 3.42Å
115	V	97.8	Very high	95.4	Very high	78 Å²	78	50.5 Å²	50.5	47%	0.473	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.5	172.5	0	0	0	0	111.5	A111 E112 L113 L117 K118 G119 W408	A111-V115 WeakPolarHBondContact O-CG2 3.13Å; A111-V115 PolarHBondContact O-N 3.25Å; E112-V115 WeakPolarHBondContact O-CA 3.49Å; E112-V115 WeakPolarHBondContact O-CB 3.49Å; E112-V115 PolarHBondContact O-N 3.23Å; L113-V115 PolarHBondContact O-N 3.37Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 2.94Å; V115-K118 WeakPolarHBondContact O-CB 3.45Å; V115-K118 PolarHBondContact O-N 3.06Å; V115-G119 PolarHBondContact O-N 3.04Å; V115-G119 VanDerWaalsContact O-N 3.07Å; V115-W408 HydrophobicContact CG2-CH2 3.82Å
116	V	97.9	Very high	95.2	Very high	39 Å²	39	58.4 Å²	58.4	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-48	174	178.5	0	0	0	0	110	E112 L113 K118 G119 V120 Y427 E430 A431	E112-V116 PolarHBondContact O-N 3.02Å; L113-V116 WeakPolarHBondContact O-CB 3.25Å; L113-V116 PolarHBondContact O-N 3.14Å; L113-V116 VanDerWaalsContact O-N 3.12Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.35Å; V116-G119 PolarHBondContact O-N 3.36Å; V116-G119 VanDerWaalsContact O-N 3.08Å; V116-V120 PolarHBondContact O-N 3.29Å; V116-Y427 HydrophobicContact CB-CD2 4.32Å; V116-Y427 HydrophobicContact CB-CE2 4.35Å; V116-Y427 HydrophobicContact CG1-CD2 3.84Å; V116-Y427 HydrophobicContact CG1-CE2 4.18Å; V116-E430 HydrophobicContact CG1-CB 4.19Å; V116-E430 HydrophobicContact CG1-CG 3.96Å; V116-A431 HydrophobicContact CG1-CB 4.13Å
117	L	98.3	Very high	94.9	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-42.3	178.3	-65.1	-167.7	0	0	0	112.4	L113 E114 V115 G119 V120 L121 A412 N416 V423 Y427 A539	L113-L117 HydrophobicContact CD2-CD1 3.59Å; L113-L117 HydrophobicContact CD2-CD2 4.5Å; L113-L117 HydrophobicContact CD2-CG 3.81Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 2.89Å; E114-L117 PolarHBondContact O-N 2.75Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 2.94Å; L117-G119 PolarHBondContact O-N 3.48Å; L117-V120 WeakPolarHBondContact O-CG2 3.34Å; L117-L121 VanDerWaalsContact O-CB 3.23Å; L117-L121 WeakPolarHBondContact O-CB 3.37Å; L117-L121 WeakPolarHBondContact O-CD1 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 3.39Å; L117-A412 HydrophobicContact CB-CB 3.99Å; L117-N416 HydrophobicContact CD1-CB 3.92Å; L117-V423 HydrophobicContact CD1-CG1 4.14Å; L117-V423 HydrophobicContact CD2-CG1 3.46Å; L117-V423 VanDerWaalsContact CD2-CG1 3.46Å; L117-V423 HydrophobicContact CG-CG1 4.36Å; L117-Y427 HydrophobicContact CD2-CD2 4.09Å; L117-Y427 HydrophobicContact CD2-CG 4.49Å; L117-A539 HydrophobicContact CD2-CB 4.25Å
118	K	98.1	Very high	94.9	Very high	60 Å²	60	67.6 Å²	67.6	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-57.6	-49.7	174	-179.9	-175.3	-172.1	-68.4	0	111.1	E114 V115 V116 V120 L121 E122 W408	E114-K118 PolarHBondContact O-N 2.94Å; V115-K118 WeakPolarHBondContact O-CB 3.45Å; V115-K118 PolarHBondContact O-N 3.06Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.35Å; K118-V120 PolarHBondContact O-N 3.17Å; K118-L121 PolarHBondContact O-N 3.13Å; K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 HydrophobicContact CG-CG 4.43Å; K118-E122 IonicContact NZ-OE1 3.2Å; K118-E122 PolarHBondContact NZ-OE1 2.87Å; K118-E122 IonicContact NZ-OE2 2.74Å; K118-E122 PolarHBondContact NZ-OE2 2.95Å; K118-E122 WeakPolarHBondContact O-CB 3.34Å; K118-E122 WeakPolarHBondContact O-CG 3.41Å; K118-E122 PolarHBondContact O-N 3.14Å; K118-W408 HydrophobicContact CB-CE3 3.72Å; K118-W408 HydrophobicContact CB-CZ3 3.72Å; K118-W408 HydrophobicContact CD-CD2 3.72Å; K118-W408 HydrophobicContact CD-CE3 3.61Å; K118-W408 HydrophobicContact CD-CG 4.23Å; K118-W408 HydrophobicContact CD-CH2 4.3Å; K118-W408 HydrophobicContact CD-CZ2 4.4Å; K118-W408 HydrophobicContact CD-CZ3 3.93Å; K118-W408 HydrophobicContact CG-CD2 4.46Å; K118-W408 HydrophobicContact CG-CE3 3.98Å; K118-W408 HydrophobicContact CG-CZ3 4.34Å
119	G	97.9	Very high	94.9	Very high	44 Å²	44	66 Å²	66	45%	0.454	32%	0.322	S	S	.	.	H	α-helix	trans	-56.6	-50.2	-179	0	0	0	0	0	112.1	V115 V116 L117 K123	V115-G119 PolarHBondContact O-N 3.04Å; V115-G119 VanDerWaalsContact O-N 3.07Å; V116-G119 PolarHBondContact O-N 3.36Å; V116-G119 VanDerWaalsContact O-N 3.08Å; L117-G119 PolarHBondContact O-N 3.48Å; G119-K123 WeakPolarHBondContact O-CB 3.3Å; G119-K123 PolarHBondContact O-N 2.94Å; G119-K123 VanDerWaalsContact O-N 3.13Å
120	V	97.7	Very high	95	Very high	9 Å²	9	68.2 Å²	68.2	6%	0.055	34%	0.34	C	S	.	.	H	α-helix	trans	-72.4	-31.5	-177.7	-57.4	0	0	0	0	113.3	V116 L117 K118 K136 L426 E430	V116-V120 PolarHBondContact O-N 3.29Å; L117-V120 WeakPolarHBondContact O-CG2 3.34Å; K118-V120 PolarHBondContact O-N 3.17Å; V120-K136 WeakPolarHBondContact O-CE 3.37Å; V120-L426 HydrophobicContact CB-CB 4Å; V120-L426 HydrophobicContact CG2-CB 3.73Å; V120-L426 HydrophobicContact CG2-CD1 4.3Å; V120-E430 HydrophobicContact CG1-CB 3.87Å; V120-E430 HydrophobicContact CG1-CG 3.96Å
121	L	98.3	Very high	95.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-76.7	-26.7	177.9	-71.1	169.8	0	0	0	113.2	L117 K118 A135 K136 Y139 A412 V415 V423 L426	L117-L121 VanDerWaalsContact O-CB 3.23Å; L117-L121 WeakPolarHBondContact O-CB 3.37Å; L117-L121 WeakPolarHBondContact O-CD1 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 3.39Å; K118-L121 PolarHBondContact O-N 3.13Å; L121-A135 HydrophobicContact CD2-CB 4.23Å; L121-K136 HydrophobicContact CD2-CG 4.37Å; L121-K136 WeakPolarHBondContact O-CG 3.45Å; L121-Y139 HydrophobicContact CB-CD1 3.93Å; L121-Y139 HydrophobicContact CB-CD2 4.25Å; L121-Y139 HydrophobicContact CB-CE1 4.35Å; L121-Y139 HydrophobicContact CB-CG 3.87Å; L121-Y139 HydrophobicContact CD1-CD2 3.7Å; L121-Y139 HydrophobicContact CD1-CE2 4.19Å; L121-Y139 HydrophobicContact CD1-CG 4.05Å; L121-Y139 HydrophobicContact CG-CG 4.47Å; L121-A412 HydrophobicContact CD1-CB 4.27Å; L121-V415 HydrophobicContact CD1-CB 4.38Å; L121-V415 HydrophobicContact CD2-CG1 4.12Å; L121-V423 HydrophobicContact CD2-CG2 4.42Å; L121-L426 HydrophobicContact CD2-CD1 4.26Å
122	E	97.1	Very high	95.3	Very high	84 Å²	84	63.3 Å²	63.3	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-87.5	-22	176	-70.7	178.9	176.6	0	0	113.1	K118 K124 Y139	K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 HydrophobicContact CG-CG 4.43Å; K118-E122 IonicContact NZ-OE1 3.2Å; K118-E122 PolarHBondContact NZ-OE1 2.87Å; K118-E122 IonicContact NZ-OE2 2.74Å; K118-E122 PolarHBondContact NZ-OE2 2.95Å; K118-E122 WeakPolarHBondContact O-CB 3.34Å; K118-E122 WeakPolarHBondContact O-CG 3.41Å; K118-E122 PolarHBondContact O-N 3.14Å; E122-K124 PolarHBondContact O-N 3.48Å; E122-Y139 HydrophobicContact CG-CD1 4.38Å; E122-Y139 HydrophobicContact CG-CE1 3.6Å; E122-Y139 PolarHBondContact OE1-OH 3.36Å
123	K	95.1	Very high	95.4	Very high	121 Å²	121	61.4 Å²	61.4	53%	0.526	31%	0.31	S	S	.	.			trans	-63.2	124	180	-171.3	177.2	-176.7	177.1	0	111.3	G119 V125 K136	G119-K123 WeakPolarHBondContact O-CB 3.3Å; G119-K123 PolarHBondContact O-N 2.94Å; G119-K123 VanDerWaalsContact O-N 3.13Å; K123-V125 HydrophobicContact CD-CG2 4.28Å; K123-V125 HydrophobicContact CG-CG2 4.06Å; K123-K136 WeakPolarHBondContact O-CE 3.33Å; K123-K136 PolarHBondContact O-NZ 2.96Å
124	K	90.4	Very high	95.5	Very high	187 Å²	187	63.2 Å²	63.2	81%	0.813	32%	0.318	S	S	*	.			trans	-82.9	126.4	171.1	-64.3	-176.4	-176.8	178.9	0	109.3	E122	E122-K124 PolarHBondContact O-N 3.48Å
125	V	90.9	Very high	95.5	Very high	71 Å²	71	63.1 Å²	63.1	43%	0.43	32%	0.317	S	S	.	.			trans	-129.1	127.4	176.5	-178.1	0	0	0	0	107.4	K123 E128	K123-V125 HydrophobicContact CD-CG2 4.28Å; K123-V125 HydrophobicContact CG-CG2 4.06Å; V125-E128 HydrophobicContact CB-CB 4.31Å; V125-E128 HydrophobicContact CG1-CB 4.2Å
126	E	87.4	Confident	95.5	Very high	176 Å²	176	59.8 Å²	59.8	82%	0.822	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	142.8	174.9	-64.6	-170.8	174.8	0	0	110.2	E128	E126-E128 VanDerWaalsContact C-N 3.3Å; E126-E128 PolarHBondContact O-N 3.12Å
127	R	86.3	Confident	95.5	Very high	244 Å²	244	59.4 Å²	59.4	92%	0.921	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	34.6	176.6	-51.7	179.7	-176	-179.8	0.4	114.6
128	E	92.7	Very high	95.6	Very high	42 Å²	42	59.4 Å²	59.4	20%	0.196	29%	0.294	C	S	.	.			trans	-79.8	160.2	171.1	68.6	-177.6	136.9	0	0	112.4	V125 E126 L132 T133 K136	V125-E128 HydrophobicContact CB-CB 4.31Å; V125-E128 HydrophobicContact CG1-CB 4.2Å; E126-E128 VanDerWaalsContact C-N 3.3Å; E126-E128 PolarHBondContact O-N 3.12Å; E128-L132 HydrophobicContact CB-CD1 4.47Å; E128-L132 HydrophobicContact CG-CB 4.38Å; E128-L132 WeakPolarHBondContact OE2-CB 3.43Å; E128-T133 WeakPolarHBondContact CG-OG1 3.45Å; E128-K136 WeakPolarHBondContact OE1-CD 3.19Å; E128-K136 IonicContact OE1-NZ 3.71Å; E128-K136 PolarHBondContact OE1-NZ 3.48Å; E128-K136 VanDerWaalsContact OE2-CE 3.27Å; E128-K136 WeakPolarHBondContact OE2-CE 2.87Å; E128-K136 IonicContact OE2-NZ 3.22Å; E128-K136 PolarHBondContact OE2-NZ 2.95Å
129	A	95.1	Very high	95.6	Very high	6 Å²	6	56.6 Å²	56.6	5%	0.05	28%	0.282	C	S	.	.			trans	-56	143.8	176.8	0	0	0	0	0	112	A131 L132 T133 D489	A129-A131 VanDerWaalsContact C-N 3.25Å; A129-A131 PolarHBondContact O-N 3.26Å; A129-L132 HydrophobicContact CB-CD1 4.35Å; A129-L132 HydrophobicContact CB-CG 4.18Å; A129-L132 WeakPolarHBondContact O-CB 3.2Å; A129-L132 PolarHBondContact O-N 3.18Å; A129-T133 PolarHBondContact O-N 3.39Å; A129-D489 HydrophobicContact CB-CB 4.21Å
130	A	96.4	Very high	95.6	Very high	51 Å²	51	59.1 Å²	59.1	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-37	-176.5	0	0	0	0	0	112.3	L132 T133 K134 N493	A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 3.25Å; A130-T133 WeakPolarHBondContact O-CB 3.46Å; A130-T133 PolarHBondContact O-N 3.43Å; A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 3.45Å; A130-N493 WeakPolarHBondContact CA-OD1 3.29Å; A130-N493 WeakPolarHBondContact CB-OD1 3.44Å; A130-N493 PolarHBondContact N-OD1 2.79Å
131	A	97.5	Very high	95.6	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-40.5	174.8	0	0	0	0	0	113.3	A129 K134 A135 L492 N493 Y496	A129-A131 VanDerWaalsContact C-N 3.25Å; A129-A131 PolarHBondContact O-N 3.26Å; A131-K134 WeakPolarHBondContact O-CB 3.31Å; A131-K134 PolarHBondContact O-N 2.95Å; A131-A135 PolarHBondContact O-N 2.95Å; A131-L492 HydrophobicContact CB-CB 4.31Å; A131-L492 HydrophobicContact CB-CD2 3.9Å; A131-L492 HydrophobicContact CB-CG 3.62Å; A131-L492 WeakPolarHBondContact CB-O 3.5Å; A131-N493 PolarHBondContact N-OD1 3.32Å; A131-Y496 HydrophobicContact CB-CD2 3.83Å
132	L	97.7	Very high	95.6	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-41.3	177	-54.1	-176.2	0	0	0	110.5	E128 A129 A130 K134 A135 K136 A422 L426 L492	E128-L132 HydrophobicContact CB-CD1 4.47Å; E128-L132 HydrophobicContact CG-CB 4.38Å; E128-L132 WeakPolarHBondContact OE2-CB 3.43Å; A129-L132 HydrophobicContact CB-CD1 4.35Å; A129-L132 HydrophobicContact CB-CG 4.18Å; A129-L132 WeakPolarHBondContact O-CB 3.2Å; A129-L132 PolarHBondContact O-N 3.18Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 3.25Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.96Å; L132-A135 PolarHBondContact O-N 3.3Å; L132-K136 WeakPolarHBondContact O-CG 3.25Å; L132-K136 PolarHBondContact O-N 3.13Å; L132-A422 HydrophobicContact CD2-CB 4.04Å; L132-A422 WeakPolarHBondContact CD2-O 3.49Å; L132-L426 HydrophobicContact CD1-CD2 4.08Å; L132-L426 HydrophobicContact CD2-CD1 4.44Å; L132-L426 HydrophobicContact CD2-CD2 4.25Å; L132-L426 HydrophobicContact CD2-CG 4.02Å; L132-L492 HydrophobicContact CD2-CD2 3.72Å; L132-L492 HydrophobicContact CG-CD2 4.32Å
133	T	97.1	Very high	95.6	Very high	61 Å²	61	58 Å²	58	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-39.6	173.8	-59.8	0	0	0	0	111.8	E128 A129 A130 K136 T137	E128-T133 WeakPolarHBondContact CG-OG1 3.45Å; A129-T133 PolarHBondContact O-N 3.39Å; A130-T133 WeakPolarHBondContact O-CB 3.46Å; A130-T133 PolarHBondContact O-N 3.43Å; T133-K136 PolarHBondContact O-N 3.25Å; T133-T137 WeakPolarHBondContact O-CB 3.45Å; T133-T137 PolarHBondContact O-N 3.36Å; T133-T137 PolarHBondContact O-OG1 3.33Å
134	K	98	Very high	95.8	Very high	43 Å²	43	54.6 Å²	54.6	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-47.6	174.7	-71.6	178.2	-169.4	-168	0	111.2	A130 A131 L132 K136 T137 L138 L419 Y496 K497 L499 Y501	A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 3.45Å; A131-K134 WeakPolarHBondContact O-CB 3.31Å; A131-K134 PolarHBondContact O-N 2.95Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.96Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.1Å; K134-T137 PolarHBondContact O-N 2.93Å; K134-T137 VanDerWaalsContact O-N 3.14Å; K134-L138 PolarHBondContact O-N 3.37Å; K134-L419 HydrophobicContact CB-CD2 4.3Å; K134-Y496 PolarHBondContact NZ-O 3.44Å; K134-K497 PolarHBondContact NZ-O 3.32Å; K134-L499 WeakPolarHBondContact CD-O 3.32Å; K134-L499 WeakPolarHBondContact CE-O 3.37Å; K134-L499 PolarHBondContact NZ-O 2.85Å; K134-Y501 HydrophobicContact CB-CD2 3.9Å; K134-Y501 HydrophobicContact CB-CE2 4Å; K134-Y501 WeakPolarHBondContact O-CD2 3.34Å
135	A	98.4	Very high	96	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-46.6	175.4	0	0	0	0	0	112.3	L121 A131 L132 T137 L138 Y139 V415 L419 A422 V423	L121-A135 HydrophobicContact CD2-CB 4.23Å; A131-A135 PolarHBondContact O-N 2.95Å; L132-A135 PolarHBondContact O-N 3.3Å; A135-T137 VanDerWaalsContact C-N 3.35Å; A135-T137 PolarHBondContact O-N 3.38Å; A135-L138 PolarHBondContact O-N 3.14Å; A135-Y139 PolarHBondContact O-N 3.41Å; A135-V415 HydrophobicContact CB-CG1 3.78Å; A135-V415 WeakPolarHBondContact O-CG1 3.38Å; A135-L419 HydrophobicContact CB-CB 4.46Å; A135-L419 HydrophobicContact CB-CD2 4.41Å; A135-A422 HydrophobicContact CB-CB 4.39Å; A135-V423 HydrophobicContact CB-CG2 4.31Å
136	K	98.3	Very high	96.3	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-35.1	176.8	-64.3	-179.1	-175.2	175.2	0	112.9	V120 L121 K123 E128 L132 T133 K134 Y139 K140	V120-K136 WeakPolarHBondContact O-CE 3.37Å; L121-K136 HydrophobicContact CD2-CG 4.37Å; L121-K136 WeakPolarHBondContact O-CG 3.45Å; K123-K136 WeakPolarHBondContact O-CE 3.33Å; K123-K136 PolarHBondContact O-NZ 2.96Å; E128-K136 WeakPolarHBondContact OE1-CD 3.19Å; E128-K136 IonicContact OE1-NZ 3.71Å; E128-K136 PolarHBondContact OE1-NZ 3.48Å; E128-K136 VanDerWaalsContact OE2-CE 3.27Å; E128-K136 WeakPolarHBondContact OE2-CE 2.87Å; E128-K136 IonicContact OE2-NZ 3.22Å; E128-K136 PolarHBondContact OE2-NZ 2.95Å; L132-K136 WeakPolarHBondContact O-CG 3.25Å; L132-K136 PolarHBondContact O-N 3.13Å; T133-K136 PolarHBondContact O-N 3.25Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 3.1Å; K136-Y139 PolarHBondContact O-N 3.21Å; K136-K140 VanDerWaalsContact O-CG 3.28Å; K136-K140 WeakPolarHBondContact O-CG 3.3Å; K136-K140 PolarHBondContact O-N 2.99Å
137	T	98.1	Very high	96.8	Very high	31 Å²	31	47.5 Å²	47.5	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-43.3	176.7	-59.5	0	0	0	0	111.1	T133 K134 A135 Y139 K140 S141 A503	T133-T137 WeakPolarHBondContact O-CB 3.45Å; T133-T137 PolarHBondContact O-N 3.36Å; T133-T137 PolarHBondContact O-OG1 3.33Å; K134-T137 PolarHBondContact O-N 2.93Å; K134-T137 VanDerWaalsContact O-N 3.14Å; A135-T137 VanDerWaalsContact C-N 3.35Å; A135-T137 PolarHBondContact O-N 3.38Å; T137-Y139 VanDerWaalsContact C-N 3.33Å; T137-Y139 PolarHBondContact O-N 3.05Å; T137-K140 PolarHBondContact O-N 2.79Å; T137-S141 PolarHBondContact O-N 3.02Å; T137-A503 HydrophobicContact CG2-CB 4.28Å
138	L	98.5	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.7	-174.9	61	0	0	0	110.9	K134 A135 K140 S141 C142 Y414 V415 L419 Y501 N509	K134-L138 PolarHBondContact O-N 3.37Å; A135-L138 PolarHBondContact O-N 3.14Å; L138-K140 PolarHBondContact O-N 3.33Å; L138-S141 PolarHBondContact O-N 2.76Å; L138-S141 PolarHBondContact O-OG 2.98Å; L138-C142 PolarHBondContact O-N 3.2Å; L138-C142 VanDerWaalsContact O-N 3.09Å; L138-Y414 HydrophobicContact CD1-CE1 4.14Å; L138-Y414 HydrophobicContact CD2-CD1 4.29Å; L138-Y414 HydrophobicContact CD2-CE1 3.97Å; L138-Y414 HydrophobicContact CG-CD1 4.48Å; L138-Y414 HydrophobicContact CG-CE1 4.25Å; L138-V415 HydrophobicContact CB-CG2 4.11Å; L138-V415 HydrophobicContact CD2-CG2 4Å; L138-V415 HydrophobicContact CG-CG2 3.9Å; L138-L419 HydrophobicContact CD2-CD1 3.42Å; L138-L419 VanDerWaalsContact CD2-CD1 3.42Å; L138-Y501 HydrophobicContact CB-CD2 3.91Å; L138-Y501 HydrophobicContact CB-CE2 4.01Å; L138-Y501 HydrophobicContact CB-CG 4.34Å; L138-Y501 HydrophobicContact CD1-CD1 4.17Å; L138-Y501 HydrophobicContact CD1-CE1 4.19Å; L138-Y501 HydrophobicContact CD1-CG 4.38Å; L138-Y501 HydrophobicContact CD2-CE2 4.22Å; L138-N509 HydrophobicContact CD1-CB 3.51Å
139	Y	98.6	Very high	97.6	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-50.1	175.6	-175.7	-106.2	0	0	0	112.1	L121 E122 A135 K136 T137 S141 C142 I143 W408 C411 A412 V415	L121-Y139 HydrophobicContact CB-CD1 3.93Å; L121-Y139 HydrophobicContact CB-CD2 4.25Å; L121-Y139 HydrophobicContact CB-CE1 4.35Å; L121-Y139 HydrophobicContact CB-CG 3.87Å; L121-Y139 HydrophobicContact CD1-CD2 3.7Å; L121-Y139 HydrophobicContact CD1-CE2 4.19Å; L121-Y139 HydrophobicContact CD1-CG 4.05Å; L121-Y139 HydrophobicContact CG-CG 4.47Å; E122-Y139 HydrophobicContact CG-CD1 4.38Å; E122-Y139 HydrophobicContact CG-CE1 3.6Å; E122-Y139 PolarHBondContact OE1-OH 3.36Å; A135-Y139 PolarHBondContact O-N 3.41Å; K136-Y139 PolarHBondContact O-N 3.21Å; T137-Y139 VanDerWaalsContact C-N 3.33Å; T137-Y139 PolarHBondContact O-N 3.05Å; Y139-S141 VanDerWaalsContact C-N 3.32Å; Y139-S141 PolarHBondContact O-N 2.87Å; Y139-C142 WeakPolarHBondContact O-CB 3.11Å; Y139-C142 PolarHBondContact O-N 3.44Å; Y139-C142 VanDerWaalsContact O-N 3.11Å; Y139-I143 HydrophobicContact CD1-CD1 4.22Å; Y139-I143 HydrophobicContact CD1-CG2 4.41Å; Y139-I143 HydrophobicContact CD2-CG2 4.34Å; Y139-I143 HydrophobicContact CE1-CD1 3.81Å; Y139-I143 HydrophobicContact CE1-CG2 3.93Å; Y139-I143 HydrophobicContact CE2-CG2 3.86Å; Y139-I143 PolarHBondContact O-N 3.33Å; Y139-W408 WeakPolarHBondContact OH-CB 3.28Å; Y139-C411 HydrophobicContact CD2-CB 3.82Å; Y139-C411 HydrophobicContact CE2-CB 3.74Å; Y139-A412 HydrophobicContact CE2-CB 4.1Å; Y139-V415 HydrophobicContact CD2-CG2 4.37Å
140	K	98.3	Very high	97.7	Very high	97 Å²	97	43.7 Å²	43.7	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-57.7	-41.9	177.5	-75.1	171.4	-174.9	172.3	0	112.6	K136 T137 L138 C142 N144	K136-K140 VanDerWaalsContact O-CG 3.28Å; K136-K140 WeakPolarHBondContact O-CG 3.3Å; K136-K140 PolarHBondContact O-N 2.99Å; T137-K140 PolarHBondContact O-N 2.79Å; L138-K140 PolarHBondContact O-N 3.33Å; K140-C142 VanDerWaalsContact C-N 3.3Å; K140-C142 PolarHBondContact O-N 3.35Å; K140-N144 PolarHBondContact O-N 3.13Å
141	S	98.3	Very high	97.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-38.8	177	75.6	0	0	0	0	112.1	T137 L138 Y139 S502 A503 Y506 N509	T137-S141 PolarHBondContact O-N 3.02Å; L138-S141 PolarHBondContact O-N 2.76Å; L138-S141 PolarHBondContact O-OG 2.98Å; Y139-S141 VanDerWaalsContact C-N 3.32Å; Y139-S141 PolarHBondContact O-N 2.87Å; S141-S502 WeakPolarHBondContact CB-O 3.44Å; S141-A503 VanDerWaalsContact CA-O 3.32Å; S141-A503 WeakPolarHBondContact CA-O 3.38Å; S141-Y506 WeakPolarHBondContact OG-CD2 3.35Å; S141-N509 WeakPolarHBondContact CB-ND2 3.45Å; S141-N509 PolarHBondContact OG-ND2 3.5Å
142	C	97.9	Very high	97.7	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-72.3	-40.8	-177.4	-178.4	0	0	0	0	113.1	L138 Y139 K140 N144 C411 Y506	L138-C142 PolarHBondContact O-N 3.2Å; L138-C142 VanDerWaalsContact O-N 3.09Å; Y139-C142 WeakPolarHBondContact O-CB 3.11Å; Y139-C142 PolarHBondContact O-N 3.44Å; Y139-C142 VanDerWaalsContact O-N 3.11Å; K140-C142 VanDerWaalsContact C-N 3.3Å; K140-C142 PolarHBondContact O-N 3.35Å; C142-N144 VanDerWaalsContact C-N 3.29Å; C142-N144 PolarHBondContact O-N 2.67Å; C142-C411 HydrophobicContact CB-CB 3.62Å; C142-C411 WeakPolarHBondContact CB-SG 3.42Å; C142-C411 PolarHBondContact O-SG 3.47Å; C142-C411 VanDerWaalsContact O-SG 3.42Å; C142-C411 WeakPolarHBondContact SG-CA 3.22Å; C142-C411 WeakPolarHBondContact SG-CB 3.35Å; C142-C411 CovalentContact SG-SG 2.03Å; C142-C411 PolarHBondContact SG-SG 3.11Å; C142-Y506 HydrophobicContact CB-CD2 3.72Å; C142-Y506 HydrophobicContact CB-CE1 4.46Å; C142-Y506 HydrophobicContact CB-CE2 3.42Å; C142-Y506 VanDerWaalsContact CB-CE2 3.42Å; C142-Y506 HydrophobicContact CB-CG 4.4Å; C142-Y506 PolarHBondContact SG-OH 3.14Å
143	I	97.7	Very high	97.7	Very high	60 Å²	60	44.5 Å²	44.5	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-77.9	-12.4	-177.4	64.4	169.5	0	0	0	113.7	Y139 E145 W408 C411	Y139-I143 HydrophobicContact CD1-CD1 4.22Å; Y139-I143 HydrophobicContact CD1-CG2 4.41Å; Y139-I143 HydrophobicContact CD2-CG2 4.34Å; Y139-I143 HydrophobicContact CE1-CD1 3.81Å; Y139-I143 HydrophobicContact CE1-CG2 3.93Å; Y139-I143 HydrophobicContact CE2-CG2 3.86Å; Y139-I143 PolarHBondContact O-N 3.33Å; I143-E145 PolarHBondContact O-N 3.48Å; I143-W408 HydrophobicContact CG2-CB 4.44Å; I143-C411 HydrophobicContact CG2-CB 3.73Å
144	N	97.4	Very high	97.7	Very high	50 Å²	50	43.7 Å²	43.7	27%	0.267	21%	0.214	S	C	.	.			trans	-79.9	69.6	-178.6	-171.3	-3.5	0	0	0	111.3	K140 C142 R146 L147 I148	K140-N144 PolarHBondContact O-N 3.13Å; C142-N144 VanDerWaalsContact C-N 3.29Å; C142-N144 PolarHBondContact O-N 2.67Å; N144-R146 PolarHBondContact O-N 3.46Å; N144-L147 PolarHBondContact O-N 3.3Å; N144-L147 PolarHBondContact OD1-N 2.95Å; N144-I148 PolarHBondContact O-N 3.47Å
145	E	95.6	Very high	97.7	Very high	79 Å²	79	42.8 Å²	42.8	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-56.7	-37	-179.2	-69.8	-169.9	100.1	0	0	111.9	I143 L147 I148 E149 R388 V407	I143-E145 PolarHBondContact O-N 3.48Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 2.96Å; E145-I148 PolarHBondContact O-N 3.45Å; E145-I148 VanDerWaalsContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CB 3.27Å; E145-E149 VanDerWaalsContact O-CG 3.28Å; E145-E149 WeakPolarHBondContact O-CG 3.43Å; E145-E149 PolarHBondContact O-N 3.39Å; E145-R388 IonicContact OE1-NH2 2.98Å; E145-V407 HydrophobicContact CG-CG1 3.99Å; E145-V407 HydrophobicContact CG-CG2 4.09Å; E145-V407 WeakPolarHBondContact OE1-CG2 3.26Å; E145-V407 WeakPolarHBondContact OE2-CG2 3.45Å
146	R	97.3	Very high	97.7	Very high	173 Å²	173	42.8 Å²	42.8	65%	0.653	21%	0.212	S	C	*	.	H	α-helix	trans	-52.7	-45.5	179.3	-176	-177.1	66.5	122.4	3	112.1	N144 Q150	N144-R146 PolarHBondContact O-N 3.46Å; R146-Q150 WeakPolarHBondContact O-CB 3.11Å; R146-Q150 VanDerWaalsContact O-CG 3.24Å; R146-Q150 WeakPolarHBondContact O-CG 3.42Å; R146-Q150 PolarHBondContact O-N 3.46Å
147	L	97.2	Very high	97.7	Very high	32 Å²	32	43.6 Å²	43.6	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-74.8	-36.4	-179.2	-172.5	61.2	0	0	0	112.2	N144 E145 E149 Q150 K151 E504	N144-L147 PolarHBondContact O-N 3.3Å; N144-L147 PolarHBondContact OD1-N 2.95Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 2.96Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-Q150 PolarHBondContact O-N 3.06Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.11Å; L147-K151 VanDerWaalsContact O-N 3.07Å; L147-E504 VanDerWaalsContact CD2-CA 3.41Å; L147-E504 HydrophobicContact CD2-CB 3.67Å; L147-E504 HydrophobicContact CD2-CG 4.07Å; L147-E504 WeakPolarHBondContact CD2-O 3.39Å
148	I	97.6	Very high	97.6	Very high	20 Å²	20	48.4 Å²	48.4	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-43.3	174.5	-63.9	168.6	0	0	0	110.4	N144 E145 K151 G152 Y506	N144-I148 PolarHBondContact O-N 3.47Å; E145-I148 PolarHBondContact O-N 3.45Å; E145-I148 VanDerWaalsContact O-N 3.1Å; I148-K151 PolarHBondContact O-N 3.4Å; I148-G152 PolarHBondContact O-N 3.14Å; I148-Y506 HydrophobicContact CD1-CD1 3.68Å; I148-Y506 HydrophobicContact CD1-CE1 4.44Å; I148-Y506 HydrophobicContact CD1-CG 4.26Å; I148-Y506 HydrophobicContact CG1-CD1 4.38Å
149	E	97.7	Very high	97.5	Very high	66 Å²	66	49 Å²	49	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-41.3	176.4	-64.6	-47.6	133	0	0	111.6	E145 L147 K151 G152 S384 R385 R388	E145-E149 WeakPolarHBondContact O-CB 3.27Å; E145-E149 VanDerWaalsContact O-CG 3.28Å; E145-E149 WeakPolarHBondContact O-CG 3.43Å; E145-E149 PolarHBondContact O-N 3.39Å; L147-E149 VanDerWaalsContact C-N 3.34Å; E149-K151 VanDerWaalsContact C-N 3.27Å; E149-K151 PolarHBondContact O-N 2.88Å; E149-G152 PolarHBondContact O-N 3.07Å; E149-S384 WeakPolarHBondContact OE2-CB 3.38Å; E149-R385 VanDerWaalsContact CD-N 3.31Å; E149-R385 PolarHBondContact OE1-N 2.99Å; E149-R385 WeakPolarHBondContact OE2-CB 3.4Å; E149-R385 PolarHBondContact OE2-N 2.72Å; E149-R388 IonicContact OE1-CZ 3.94Å; E149-R388 IonicContact OE1-NH1 2.68Å; E149-R388 PolarHBondContact OE1-NH1 3.5Å; E149-R388 VanDerWaalsContact OE1-NH1 3.08Å; E149-R388 IonicContact OE1-NH2 2.66Å; E149-R388 PolarHBondContact OE1-NH2 3.09Å
150	Q	97.5	Very high	97.5	Very high	127 Å²	127	49 Å²	49	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-60.7	-34.7	175.9	-78.7	173.7	-6.9	0	0	113	R146 L147 G152	R146-Q150 WeakPolarHBondContact O-CB 3.11Å; R146-Q150 VanDerWaalsContact O-CG 3.24Å; R146-Q150 WeakPolarHBondContact O-CG 3.42Å; R146-Q150 PolarHBondContact O-N 3.46Å; L147-Q150 PolarHBondContact O-N 3.06Å; Q150-G152 VanDerWaalsContact C-N 3.33Å
151	K	97.2	Very high	97.4	Very high	55 Å²	55	47.2 Å²	47.2	24%	0.239	24%	0.243	C	C	.	.	H	α-helix	trans	-79.2	-12.2	179.5	-74	-178.6	170.9	179.9	0	114	L147 I148 E149 G153 A154 P155 E504 E505	L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.11Å; L147-K151 VanDerWaalsContact O-N 3.07Å; I148-K151 PolarHBondContact O-N 3.4Å; E149-K151 VanDerWaalsContact C-N 3.27Å; E149-K151 PolarHBondContact O-N 2.88Å; K151-G153 PolarHBondContact O-N 2.98Å; K151-A154 WeakPolarHBondContact O-CB 3.37Å; K151-A154 PolarHBondContact O-N 3.34Å; K151-P155 HydrophobicContact CB-CG 4.06Å; K151-P155 HydrophobicContact CD-CG 4.31Å; K151-P155 WeakPolarHBondContact O-CD 3.45Å; K151-E504 PolarHBondContact NZ-O 3.02Å; K151-E505 IonicContact NZ-OE1 3.36Å; K151-E505 PolarHBondContact NZ-OE1 3.17Å; K151-E505 IonicContact NZ-OE2 2.65Å; K151-E505 PolarHBondContact NZ-OE2 3.09Å
152	G	97.4	Very high	97.4	Very high	20 Å²	20	49 Å²	49	21%	0.206	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-128.2	174.8	0	0	0	0	0	112.8	I148 E149 Q150 S384	I148-G152 PolarHBondContact O-N 3.14Å; E149-G152 PolarHBondContact O-N 3.07Å; Q150-G152 VanDerWaalsContact C-N 3.33Å; G152-S384 VanDerWaalsContact C-OG 3.27Å; G152-S384 WeakPolarHBondContact CA-OG 3.35Å; G152-S384 PolarHBondContact O-N 3.38Å; G152-S384 PolarHBondContact O-OG 2.91Å; G152-S384 VanDerWaalsContact O-OG 3.12Å
153	G	97.3	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.8	170.9	0	0	0	0	0	115	K151 P155 L156 L157	K151-G153 PolarHBondContact O-N 2.98Å; G153-P155 VanDerWaalsContact C-CD 3.46Å; G153-L156 WeakPolarHBondContact O-CB 3.04Å; G153-L156 PolarHBondContact O-N 3.43Å; G153-L157 PolarHBondContact O-N 3.45Å
154	A	98.1	Very high	97.3	Very high	44 Å²	44	47.1 Å²	47.1	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-52.6	-43.3	-168.7	0	0	0	0	0	114.2	K151 L156 L157 D158	K151-A154 WeakPolarHBondContact O-CB 3.37Å; K151-A154 PolarHBondContact O-N 3.34Å; A154-L156 PolarHBondContact O-N 3.23Å; A154-L156 VanDerWaalsContact O-N 3.16Å; A154-L157 PolarHBondContact O-N 2.03Å; A154-D158 VanDerWaalsContact O-CG 3.3Å; A154-D158 PolarHBondContact O-N 2.99Å
155	P	97.9	Very high	97.3	Very high	24 Å²	24	45.1 Å²	45.1	16%	0.156	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-30	178.4	-25.6	35.8	0	0	0	114.6	K151 G153 L383 F507	K151-P155 HydrophobicContact CB-CG 4.06Å; K151-P155 HydrophobicContact CD-CG 4.31Å; K151-P155 WeakPolarHBondContact O-CD 3.45Å; G153-P155 VanDerWaalsContact C-CD 3.46Å; P155-L383 HydrophobicContact CB-CD2 4.35Å; P155-F507 HydrophobicContact CB-CB 3.66Å; P155-F507 HydrophobicContact CB-CD1 3.47Å; P155-F507 VanDerWaalsContact CB-CD1 3.47Å; P155-F507 HydrophobicContact CB-CD2 4.38Å; P155-F507 HydrophobicContact CB-CE1 4.16Å; P155-F507 HydrophobicContact CB-CG 3.59Å; P155-F507 HydrophobicContact CG-CB 4.29Å; P155-F507 VanDerWaalsContact O-CE1 3.29Å; P155-F507 WeakPolarHBondContact O-CE1 3.41Å
156	L	97.7	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-73.2	-46.7	173.2	178.7	66.8	0	0	0	110.3	G153 A154 D158 M159 L160 I256 V376 M379 L383 Y387 F507	G153-L156 WeakPolarHBondContact O-CB 3.04Å; G153-L156 PolarHBondContact O-N 3.43Å; A154-L156 PolarHBondContact O-N 3.23Å; A154-L156 VanDerWaalsContact O-N 3.16Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 3.16Å; L156-M159 HydrophobicContact CD1-CE 3.75Å; L156-M159 PolarHBondContact O-N 3.42Å; L156-M159 VanDerWaalsContact O-N 3.1Å; L156-L160 HydrophobicContact CD1-CD2 4.44Å; L156-L160 HydrophobicContact CD1-CG 4.44Å; L156-L160 HydrophobicContact CG-CD1 4.38Å; L156-L160 HydrophobicContact CG-CG 4.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.47Å; L156-I256 HydrophobicContact CD2-CD1 3.99Å; L156-V376 HydrophobicContact CD1-CG1 4.1Å; L156-V376 HydrophobicContact CD2-CG1 4.48Å; L156-M379 HydrophobicContact CD1-CB 4.3Å; L156-L383 HydrophobicContact CB-CD1 3.71Å; L156-L383 HydrophobicContact CB-CD2 4.07Å; L156-L383 HydrophobicContact CD2-CD1 3.75Å; L156-L383 HydrophobicContact CG-CD1 4.28Å; L156-Y387 HydrophobicContact CD2-CE1 4.36Å; L156-F507 HydrophobicContact CB-CZ 4.11Å; L156-F507 HydrophobicContact CD1-CZ 4Å
157	L	97.8	Very high	97.5	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-42.6	-178.2	-54.8	-175.9	0	0	0	112	G153 A154 M159 L160 P161 I256 D259 R260	G153-L157 PolarHBondContact O-N 3.45Å; A154-L157 PolarHBondContact O-N 2.03Å; L157-M159 PolarHBondContact O-N 3.17Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L157-P161 WeakPolarHBondContact O-CD 3.02Å; L157-I256 HydrophobicContact CD2-CB 4.35Å; L157-I256 HydrophobicContact CD2-CG1 4.19Å; L157-I256 HydrophobicContact CD2-CG2 3.56Å; L157-D259 HydrophobicContact CD1-CB 4.13Å; L157-R260 HydrophobicContact CD1-CG 4.21Å; L157-R260 HydrophobicContact CD2-CG 4.49Å
158	D	97.3	Very high	97.4	Very high	131 Å²	131	31.7 Å²	31.7	70%	0.701	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.4	179	-66.3	-19.5	0	0	0	112.6	A154 L156	A154-D158 VanDerWaalsContact O-CG 3.3Å; A154-D158 PolarHBondContact O-N 2.99Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 3.16Å
159	M	96.4	Very high	97.4	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.069	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-27.9	-175.8	175.7	-86	-68	0	0	113.2	L156 L157 P161 D162 Y194 F375 F507 L511	L156-M159 HydrophobicContact CD1-CE 3.75Å; L156-M159 PolarHBondContact O-N 3.42Å; L156-M159 VanDerWaalsContact O-N 3.1Å; L157-M159 PolarHBondContact O-N 3.17Å; M159-P161 VanDerWaalsContact C-N 3.31Å; M159-D162 WeakPolarHBondContact O-CB 3.27Å; M159-D162 PolarHBondContact O-N 3.22Å; M159-Y194 HydrophobicContact CG-CE1 4.02Å; M159-Y194 WeakPolarHBondContact CG-OH 3.46Å; M159-Y194 HydrophobicContact SD-CE1 3.86Å; M159-F375 HydrophobicContact CE-CE1 3.24Å; M159-F375 HydrophobicContact CE-CZ 3.34Å; M159-F375 HydrophobicContact SD-CE1 3.53Å; M159-F375 VanDerWaalsContact SD-CE1 3.53Å; M159-F375 HydrophobicContact SD-CZ 3.86Å; M159-F507 HydrophobicContact CE-CE1 3.86Å; M159-F507 HydrophobicContact CE-CZ 3.86Å; M159-L511 HydrophobicContact CB-CD1 4.41Å; M159-L511 HydrophobicContact CE-CD2 4.23Å; M159-L511 HydrophobicContact CG-CD1 3.85Å
160	L	97.6	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.3	-36.9	179.4	-76.4	173.9	0	0	0	115	L156 L157 D162 I163 E165 V372 V376	L156-L160 HydrophobicContact CD1-CD2 4.44Å; L156-L160 HydrophobicContact CD1-CG 4.44Å; L156-L160 HydrophobicContact CG-CD1 4.38Å; L156-L160 HydrophobicContact CG-CG 4.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.47Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L160-D162 PolarHBondContact O-N 2.88Å; L160-I163 HydrophobicContact CD2-CD1 4.19Å; L160-I163 HydrophobicContact CD2-CG1 4.49Å; L160-I163 CarbonylContact O-C 3.59Å; L160-I163 VanDerWaalsContact O-CG1 3.3Å; L160-I163 WeakPolarHBondContact O-CG1 3.41Å; L160-I163 PolarHBondContact O-N 2.92Å; L160-E165 VanDerWaalsContact CB-OE2 3.23Å; L160-E165 WeakPolarHBondContact CB-OE2 3.45Å; L160-E165 WeakPolarHBondContact O-CA 3.34Å; L160-E165 PolarHBondContact O-N 3.19Å; L160-V372 HydrophobicContact CD2-CG1 3.8Å; L160-V376 HydrophobicContact CD2-CG1 3.81Å
161	P	97.3	Very high	97.2	Very high	60 Å²	60	25.8 Å²	25.8	39%	0.39	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-55.6	-30.3	172.9	-28.4	35.1	0	0	0	114.5	L157 M159 I163 F164 E165	L157-P161 WeakPolarHBondContact O-CD 3.02Å; M159-P161 VanDerWaalsContact C-N 3.31Å; P161-I163 PolarHBondContact O-N 2.94Å; P161-F164 PolarHBondContact O-N 3.18Å; P161-E165 WeakPolarHBondContact CD-OE1 3.4Å; P161-E165 HydrophobicContact CG-CG 4.4Å; P161-E165 WeakPolarHBondContact CG-OE1 3.39Å
162	D	96.8	Very high	97.1	Very high	40 Å²	40	28.4 Å²	28.4	21%	0.214	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-62.8	-29	179	-169.1	62.1	0	0	0	111.9	M159 L160 R189 K193 Y194	M159-D162 WeakPolarHBondContact O-CB 3.27Å; M159-D162 PolarHBondContact O-N 3.22Å; L160-D162 PolarHBondContact O-N 2.88Å; D162-R189 WeakPolarHBondContact O-CD 3.37Å; D162-R189 PolarHBondContact O-NE 2.83Å; D162-R189 PolarHBondContact O-NH1 3.36Å; D162-R189 VanDerWaalsContact O-NH1 3.12Å; D162-R189 IonicContact OD1-CZ 3.52Å; D162-R189 IonicContact OD1-NH1 3.7Å; D162-R189 PolarHBondContact OD1-NH1 3.45Å; D162-R189 WeakPolarHBondContact OD2-CD 3.46Å; D162-R189 IonicContact OD2-NH1 3.08Å; D162-K193 IonicContact OD1-NZ 2.79Å; D162-K193 PolarHBondContact OD1-NZ 2.87Å; D162-K193 WeakPolarHBondContact OD2-CD 3.48Å; D162-K193 IonicContact OD2-NZ 3.88Å; D162-K193 PolarHBondContact OD2-NZ 3.23Å; D162-Y194 VanDerWaalsContact OD2-CE2 3.3Å; D162-Y194 WeakPolarHBondContact OD2-CE2 3.42Å; D162-Y194 PolarHBondContact OD2-OH 3.37Å
163	I	96.8	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-109.9	29.9	179.6	61.2	170.7	0	0	0	112.4	L160 P161 R189 L190 Y194 Q368 V372 F375	L160-I163 HydrophobicContact CD2-CD1 4.19Å; L160-I163 HydrophobicContact CD2-CG1 4.49Å; L160-I163 CarbonylContact O-C 3.59Å; L160-I163 VanDerWaalsContact O-CG1 3.3Å; L160-I163 WeakPolarHBondContact O-CG1 3.41Å; L160-I163 PolarHBondContact O-N 2.92Å; P161-I163 PolarHBondContact O-N 2.94Å; I163-R189 HydrophobicContact CG2-CG 4.48Å; I163-L190 HydrophobicContact CD1-CD2 4.05Å; I163-L190 HydrophobicContact CG2-CD2 3.97Å; I163-L190 HydrophobicContact CG2-CG 4.38Å; I163-Y194 HydrophobicContact CG2-CD2 3.76Å; I163-Y194 HydrophobicContact CG2-CE2 3.41Å; I163-Y194 VanDerWaalsContact CG2-CE2 3.41Å; I163-Q368 PolarHBondContact O-NE2 3.21Å; I163-V372 HydrophobicContact CD1-CG1 4.2Å; I163-V372 HydrophobicContact CD1-CG2 4.05Å; I163-V372 HydrophobicContact CG1-CG2 4.45Å; I163-F375 HydrophobicContact CD1-CD1 3.53Å; I163-F375 HydrophobicContact CD1-CE1 3.81Å
164	F	97.7	Very high	97.1	Very high	27 Å²	27	31.7 Å²	31.7	12%	0.118	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	28.5	177.9	-60.4	-103.5	0	0	0	114.9	P161 W173 Y177 D185 V186	P161-F164 PolarHBondContact O-N 3.18Å; F164-W173 PolarHBondContact O-NE1 3.09Å; F164-Y177 HydrophobicContact CB-CD1 4.13Å; F164-Y177 HydrophobicContact CB-CG 4.48Å; F164-Y177 HydrophobicContact CD1-CD1 4.21Å; F164-D185 HydrophobicContact CE2-CB 4.3Å; F164-D185 HydrophobicContact CZ-CB 4.33Å; F164-V186 HydrophobicContact CB-CG2 4.48Å; F164-V186 HydrophobicContact CD2-CB 4.49Å; F164-V186 HydrophobicContact CD2-CG2 3.44Å; F164-V186 VanDerWaalsContact CD2-CG2 3.44Å; F164-V186 HydrophobicContact CE2-CG2 3.78Å; F164-V186 HydrophobicContact CG-CG2 4.07Å
165	E	97.7	Very high	97	Very high	7 Å²	7	34 Å²	34	3%	0.033	18%	0.182	C	C	.	.			trans	59.5	167.7	177.7	-79.4	-70.8	-171.7	0	0	115.4	L160 P161 P167 V170 Y177 R260 Q368 V372	L160-E165 VanDerWaalsContact CB-OE2 3.23Å; L160-E165 WeakPolarHBondContact CB-OE2 3.45Å; L160-E165 WeakPolarHBondContact O-CA 3.34Å; L160-E165 PolarHBondContact O-N 3.19Å; P161-E165 WeakPolarHBondContact CD-OE1 3.4Å; P161-E165 HydrophobicContact CG-CG 4.4Å; P161-E165 WeakPolarHBondContact CG-OE1 3.39Å; E165-P167 WeakPolarHBondContact O-CD 3.42Å; E165-V170 HydrophobicContact CB-CG1 4.18Å; E165-V170 HydrophobicContact CB-CG2 4.32Å; E165-V170 HydrophobicContact CG-CG1 4.18Å; E165-Y177 HydrophobicContact CB-CD2 4.08Å; E165-Y177 HydrophobicContact CB-CE1 4.47Å; E165-Y177 HydrophobicContact CB-CE2 3.7Å; E165-Y177 HydrophobicContact CG-CD2 4.39Å; E165-Y177 HydrophobicContact CG-CE1 4.14Å; E165-Y177 HydrophobicContact CG-CE2 3.52Å; E165-Y177 VanDerWaalsContact CG-OH 3.25Å; E165-Y177 WeakPolarHBondContact CG-OH 3.17Å; E165-R260 IonicContact OE1-CZ 3.73Å; E165-R260 IonicContact OE1-NH1 2.71Å; E165-R260 PolarHBondContact OE1-NH1 2.78Å; E165-R260 IonicContact OE1-NH2 3.61Å; E165-R260 PolarHBondContact OE1-NH2 2.75Å; E165-R260 IonicContact OE2-CZ 3.37Å; E165-R260 IonicContact OE2-NH1 2.77Å; E165-R260 PolarHBondContact OE2-NH1 3.25Å; E165-R260 IonicContact OE2-NH2 3.08Å; E165-R260 PolarHBondContact OE2-NH2 3.26Å; E165-Q368 PolarHBondContact O-NE2 3.11Å; E165-V372 WeakPolarHBondContact O-CG2 3.34Å
166	W	98.1	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-98.9	109.2	173.5	-161.5	17.4	0	0	0	110.4	M168 A169 V170 M249 L252 A253 I256 N369 V372 W373 V376	W166-M168 VanDerWaalsContact C-N 3.3Å; W166-M168 HydrophobicContact CD2-CG 3.74Å; W166-M168 HydrophobicContact CD2-SD 4.31Å; W166-M168 VanDerWaalsContact CE2-CG 3.48Å; W166-M168 HydrophobicContact CE3-CG 4.29Å; W166-M168 HydrophobicContact CG-CG 4.11Å; W166-M168 HydrophobicContact CH2-CG 4.34Å; W166-M168 HydrophobicContact CH2-SD 3.81Å; W166-M168 HydrophobicContact CZ2-CE 3.86Å; W166-M168 HydrophobicContact CZ2-CG 3.83Å; W166-M168 HydrophobicContact CZ2-SD 3.22Å; W166-M168 WeakPolarHBondContact CZ2-SD 3.17Å; W166-M168 PolarHBondContact O-N 3.12Å; W166-A169 HydrophobicContact CB-CB 4.08Å; W166-A169 HydrophobicContact CD2-CB 4.29Å; W166-A169 HydrophobicContact CE3-CB 3.83Å; W166-A169 HydrophobicContact CG-CB 4.42Å; W166-A169 CarbonylContact O-C 3.57Å; W166-A169 WeakPolarHBondContact O-CA 3.46Å; W166-A169 PolarHBondContact O-N 2.84Å; W166-V170 PolarHBondContact O-N 3.22Å; W166-M249 HydrophobicContact CH2-CG 4.26Å; W166-M249 HydrophobicContact CZ2-CG 3.98Å; W166-L252 HydrophobicContact CH2-CB 4.48Å; W166-L252 HydrophobicContact CH2-CD2 4.32Å; W166-L252 HydrophobicContact CH2-CG 4.38Å; W166-L252 HydrophobicContact CZ3-CB 4.49Å; W166-L252 HydrophobicContact CZ3-CD2 4.21Å; W166-L252 HydrophobicContact CZ3-CG 4.04Å; W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.98Å; W166-I256 HydrophobicContact CE3-CD1 3.82Å; W166-I256 HydrophobicContact CZ3-CD1 3.86Å; W166-N369 PolarHBondContact NE1-O 2.72Å; W166-N369 VanDerWaalsContact NE1-O 3.12Å; W166-N369 PolarHBondContact NE1-OD1 3.22Å; W166-V372 HydrophobicContact CB-CB 4.36Å; W166-V372 HydrophobicContact CB-CG1 3.61Å; W166-V372 HydrophobicContact CD2-CG1 4.2Å; W166-V372 HydrophobicContact CG-CB 4.07Å; W166-V372 HydrophobicContact CG-CG1 3.55Å; W166-W373 AromaticContact CH2-CE3 3.84Å; W166-W373 HydrophobicContact CH2-CE3 3.84Å; W166-W373 HydrophobicContact CH2-CZ3 4.27Å; W166-W373 HydrophobicContact CZ2-CB 4.15Å; W166-W373 HydrophobicContact CZ2-CD2 4.49Å; W166-W373 AromaticContact CZ2-CE3 3.78Å; W166-W373 HydrophobicContact CZ2-CE3 3.78Å; W166-V376 HydrophobicContact CE3-CG2 4.44Å; W166-V376 HydrophobicContact CH2-CG2 4.26Å; W166-V376 HydrophobicContact CZ2-CG2 4.45Å; W166-V376 HydrophobicContact CZ3-CG2 4.24Å
167	P	98.1	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-54.2	-41.2	-171.3	-22.1	22.5	0	0	0	114.4	E165 A169 V170 W173 R365 Q368 N369	E165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-A169 PolarHBondContact O-N 3.23Å; P167-V170 PolarHBondContact O-N 3.07Å; P167-V170 VanDerWaalsContact O-O 3.09Å; P167-W173 HydrophobicContact CB-CB 4.13Å; P167-W173 HydrophobicContact CB-CD2 3.96Å; P167-W173 HydrophobicContact CB-CE3 4.45Å; P167-W173 HydrophobicContact CB-CG 3.75Å; P167-W173 HydrophobicContact CG-CD2 3.73Å; P167-W173 HydrophobicContact CG-CE3 4.3Å; P167-W173 HydrophobicContact CG-CG 3.88Å; P167-W173 HydrophobicContact CG-CZ2 4.32Å; P167-R365 VanDerWaalsContact C-NH2 3.32Å; P167-R365 HydrophobicContact CB-CG 3.62Å; P167-R365 HydrophobicContact CG-CG 4.09Å; P167-R365 PolarHBondContact O-NH2 2.76Å; P167-Q368 VanDerWaalsContact CD-CG 3.49Å; P167-Q368 HydrophobicContact CG-CB 3.76Å; P167-Q368 HydrophobicContact CG-CG 3.56Å; P167-N369 WeakPolarHBondContact CB-OD1 3.27Å; P167-N369 VanDerWaalsContact CD-OD1 3.31Å; P167-N369 WeakPolarHBondContact CD-OD1 3.25Å
168	M	96	Very high	96.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-67.7	-15.2	178.6	66.6	179.2	72.8	0	0	113.8	W166 M249 A253 R257 E272 V276 N369	W166-M168 VanDerWaalsContact C-N 3.3Å; W166-M168 HydrophobicContact CD2-CG 3.74Å; W166-M168 HydrophobicContact CD2-SD 4.31Å; W166-M168 VanDerWaalsContact CE2-CG 3.48Å; W166-M168 HydrophobicContact CE3-CG 4.29Å; W166-M168 HydrophobicContact CG-CG 4.11Å; W166-M168 HydrophobicContact CH2-CG 4.34Å; W166-M168 HydrophobicContact CH2-SD 3.81Å; W166-M168 HydrophobicContact CZ2-CE 3.86Å; W166-M168 HydrophobicContact CZ2-CG 3.83Å; W166-M168 HydrophobicContact CZ2-SD 3.22Å; W166-M168 WeakPolarHBondContact CZ2-SD 3.17Å; W166-M168 PolarHBondContact O-N 3.12Å; M168-M249 HydrophobicContact CE-CG 4.48Å; M168-M249 HydrophobicContact CE-SD 3.99Å; M168-M249 HydrophobicContact SD-CG 4.25Å; M168-M249 HydrophobicContact SD-SD 4.46Å; M168-A253 HydrophobicContact CG-CB 4Å; M168-A253 HydrophobicContact SD-CB 3.79Å; M168-R257 WeakPolarHBondContact O-CD 3.49Å; M168-R257 PolarHBondContact O-NH1 3.02Å; M168-E272 WeakPolarHBondContact CA-OE2 3.45Å; M168-E272 HydrophobicContact CB-CB 4.25Å; M168-E272 VanDerWaalsContact CB-OE2 3.23Å; M168-E272 WeakPolarHBondContact CB-OE2 3.38Å; M168-E272 HydrophobicContact CE-CB 4.28Å; M168-E272 PolarHBondContact N-OE2 3.43Å; M168-V276 HydrophobicContact CE-CG2 3.88Å; M168-N369 HydrophobicContact CE-CB 3.77Å; M168-N369 WeakPolarHBondContact CE-OD1 3.43Å; M168-N369 PolarHBondContact N-OD1 2.81Å
169	A	96.4	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-111.3	6.7	-175.6	0	0	0	0	0	114.1	W166 P167 I256 R257 L262	W166-A169 HydrophobicContact CB-CB 4.08Å; W166-A169 HydrophobicContact CD2-CB 4.29Å; W166-A169 HydrophobicContact CE3-CB 3.83Å; W166-A169 HydrophobicContact CG-CB 4.42Å; W166-A169 CarbonylContact O-C 3.57Å; W166-A169 WeakPolarHBondContact O-CA 3.46Å; W166-A169 PolarHBondContact O-N 2.84Å; P167-A169 PolarHBondContact O-N 3.23Å; A169-I256 HydrophobicContact CB-CB 4.19Å; A169-I256 HydrophobicContact CB-CG2 3.62Å; A169-R257 HydrophobicContact CB-CG 4.43Å; A169-L262 WeakPolarHBondContact O-CD1 3.47Å
170	V	96.2	Very high	96.6	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.079	23%	0.232	C	C	.	.	S	Bend	trans	-133.2	167.4	174.1	-57.8	0	0	0	0	110.7	E165 W166 P167 W173 R257	E165-V170 HydrophobicContact CB-CG1 4.18Å; E165-V170 HydrophobicContact CB-CG2 4.32Å; E165-V170 HydrophobicContact CG-CG1 4.18Å; W166-V170 PolarHBondContact O-N 3.22Å; P167-V170 PolarHBondContact O-N 3.07Å; P167-V170 VanDerWaalsContact O-O 3.09Å; V170-W173 HydrophobicContact CG2-CB 3.92Å; V170-W173 HydrophobicContact CG2-CG 4.35Å; V170-R257 PolarHBondContact O-NH1 2.9Å
171	D	95.1	Very high	96.5	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	23%	0.233	S	C	.	.	S	Bend	trans	-103.1	155.6	171.2	-64.9	-23.3	0	0	0	109.1	W173 R257	D171-W173 VanDerWaalsContact C-N 3.26Å; D171-W173 PolarHBondContact O-N 3.29Å; D171-W173 VanDerWaalsContact O-N 3.17Å; D171-R257 IonicContact OD1-CZ 3.55Å; D171-R257 IonicContact OD1-NH1 3.49Å; D171-R257 PolarHBondContact OD1-NH1 2.91Å; D171-R257 IonicContact OD1-NH2 2.71Å; D171-R257 PolarHBondContact OD1-NH2 3.27Å; D171-R257 IonicContact OD2-NH2 3.85Å
172	N	95.1	Very high	96.5	Very high	110 Å²	110	44.7 Å²	44.7	59%	0.588	23%	0.225	S	C	*	.	S	Bend	trans	55	30.7	175.8	-51.2	-39.2	0	0	0	116	E174 D175 D176	N172-E174 PolarHBondContact O-N 2.98Å; N172-E174 VanDerWaalsContact O-N 3.16Å; N172-D175 PolarHBondContact O-N 3.08Å; N172-D176 PolarHBondContact O-N 2.96Å; N172-D176 VanDerWaalsContact O-N 3.13Å
173	W	97.7	Very high	96.4	Very high	3 Å²	3	43 Å²	43	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-53.7	-38.3	-178.1	-177.7	84.3	0	0	0	113.6	F164 P167 V170 D171 D175 D176 Y177 G178 W181 K364 R365 Q368	F164-W173 PolarHBondContact O-NE1 3.09Å; P167-W173 HydrophobicContact CB-CB 4.13Å; P167-W173 HydrophobicContact CB-CD2 3.96Å; P167-W173 HydrophobicContact CB-CE3 4.45Å; P167-W173 HydrophobicContact CB-CG 3.75Å; P167-W173 HydrophobicContact CG-CD2 3.73Å; P167-W173 HydrophobicContact CG-CE3 4.3Å; P167-W173 HydrophobicContact CG-CG 3.88Å; P167-W173 HydrophobicContact CG-CZ2 4.32Å; V170-W173 HydrophobicContact CG2-CB 3.92Å; V170-W173 HydrophobicContact CG2-CG 4.35Å; D171-W173 VanDerWaalsContact C-N 3.26Å; D171-W173 PolarHBondContact O-N 3.29Å; D171-W173 VanDerWaalsContact O-N 3.17Å; W173-D175 VanDerWaalsContact C-N 3.28Å; W173-D175 PolarHBondContact O-N 2.84Å; W173-D176 PolarHBondContact O-N 3.41Å; W173-Y177 AromaticContact CD1-CD2 3.65Å; W173-Y177 HydrophobicContact CG-CD2 4.38Å; W173-Y177 AromaticContact NE1-CD2 3.95Å; W173-Y177 AromaticContact NE1-CG 3.97Å; W173-Y177 WeakPolarHBondContact O-CA 3.36Å; W173-Y177 PolarHBondContact O-N 2.95Å; W173-G178 PolarHBondContact O-N 3.31Å; W173-W181 HydrophobicContact CH2-CB 4.3Å; W173-W181 AromaticContact CH2-CD1 3.9Å; W173-W181 AromaticContact CH2-CG 4Å; W173-W181 HydrophobicContact CH2-CG 4Å; W173-W181 AromaticContact CZ2-CD1 3.64Å; W173-W181 HydrophobicContact CZ2-CG 4.16Å; W173-K364 HydrophobicContact CH2-CB 4.19Å; W173-K364 HydrophobicContact CZ3-CB 4.32Å; W173-R365 HydrophobicContact CE3-CB 4.3Å; W173-R365 HydrophobicContact CE3-CG 4.27Å; W173-R365 HydrophobicContact CZ3-CB 4.14Å; W173-Q368 HydrophobicContact CH2-CB 3.94Å; W173-Q368 HydrophobicContact CH2-CG 4.28Å; W173-Q368 HydrophobicContact CZ2-CB 3.65Å; W173-Q368 HydrophobicContact CZ2-CG 3.47Å; W173-Q368 VanDerWaalsContact CZ2-CG 3.47Å
174	E	96.9	Very high	96.5	Very high	87 Å²	87	43 Å²	43	41%	0.407	22%	0.216	S	C	.	.	I	π-helix	trans	-59.5	-40	179.8	-70.7	68.6	-153.4	0	0	112.1	N172 G178 K179 R365	N172-E174 PolarHBondContact O-N 2.98Å; N172-E174 VanDerWaalsContact O-N 3.16Å; E174-G178 CarbonylContact O-C 3.55Å; E174-G178 VanDerWaalsContact O-CA 3.3Å; E174-G178 WeakPolarHBondContact O-CA 3.23Å; E174-G178 PolarHBondContact O-N 3.33Å; E174-K179 PolarHBondContact O-N 2.87Å; E174-R365 VanDerWaalsContact OE1-CD 3.24Å; E174-R365 WeakPolarHBondContact OE1-CD 3.45Å; E174-R365 IonicContact OE1-CZ 3.47Å; E174-R365 IonicContact OE1-NE 3.5Å; E174-R365 IonicContact OE1-NH1 3.3Å; E174-R365 PolarHBondContact OE1-NH1 3.09Å; E174-R365 IonicContact OE2-NH1 3.64Å; E174-R365 PolarHBondContact OE2-NH1 3.22Å
175	D	97	Very high	96.5	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	22%	0.216	S	C	.	.	I	π-helix	trans	-78.9	-41.2	-178.5	-78.8	-45.3	0	0	0	112.3	N172 W173 K179	N172-D175 PolarHBondContact O-N 3.08Å; W173-D175 VanDerWaalsContact C-N 3.28Å; W173-D175 PolarHBondContact O-N 2.84Å; D175-K179 VanDerWaalsContact OD1-CE 3.24Å; D175-K179 WeakPolarHBondContact OD1-CE 3.46Å; D175-K179 IonicContact OD1-NZ 2.9Å; D175-K179 PolarHBondContact OD1-NZ 3.13Å
176	D	96.9	Very high	96.4	Very high	105 Å²	105	42.5 Å²	42.5	56%	0.561	22%	0.215	S	C	*	.	I	π-helix	trans	-79.8	-37	-174.5	-67.6	-18.2	0	0	0	112.5	N172 W173	N172-D176 PolarHBondContact O-N 2.96Å; N172-D176 VanDerWaalsContact O-N 3.13Å; W173-D176 PolarHBondContact O-N 3.41Å
177	Y	97	Very high	96.4	Very high	56 Å²	56	42.7 Å²	42.7	22%	0.22	22%	0.216	C	C	.	.	I	π-helix	trans	-126.8	-39.1	-173.6	-59	-80.5	0	0	0	112.9	F164 E165 W173 K179 T180 W181	F164-Y177 HydrophobicContact CB-CD1 4.13Å; F164-Y177 HydrophobicContact CB-CG 4.48Å; F164-Y177 HydrophobicContact CD1-CD1 4.21Å; E165-Y177 HydrophobicContact CB-CD2 4.08Å; E165-Y177 HydrophobicContact CB-CE1 4.47Å; E165-Y177 HydrophobicContact CB-CE2 3.7Å; E165-Y177 HydrophobicContact CG-CD2 4.39Å; E165-Y177 HydrophobicContact CG-CE1 4.14Å; E165-Y177 HydrophobicContact CG-CE2 3.52Å; E165-Y177 VanDerWaalsContact CG-OH 3.25Å; E165-Y177 WeakPolarHBondContact CG-OH 3.17Å; W173-Y177 AromaticContact CD1-CD2 3.65Å; W173-Y177 HydrophobicContact CG-CD2 4.38Å; W173-Y177 AromaticContact NE1-CD2 3.95Å; W173-Y177 AromaticContact NE1-CG 3.97Å; W173-Y177 WeakPolarHBondContact O-CA 3.36Å; W173-Y177 PolarHBondContact O-N 2.95Å; Y177-K179 PolarHBondContact O-N 3.5Å; Y177-K179 VanDerWaalsContact O-N 3.13Å; Y177-T180 PolarHBondContact O-N 2.99Å; Y177-T180 VanDerWaalsContact O-N 3.17Å; Y177-T180 PolarHBondContact O-OG1 3.19Å; Y177-W181 WeakPolarHBondContact O-CB 3.44Å; Y177-W181 PolarHBondContact O-N 3.01Å
178	G	95.3	Very high	96.4	Very high	10 Å²	10	42.7 Å²	42.7	10%	0.103	22%	0.216	C	C	.	.	I	π-helix	trans	-59.5	-28.5	-171.6	0	0	0	0	0	115.3	W173 E174	W173-G178 PolarHBondContact O-N 3.31Å; E174-G178 CarbonylContact O-C 3.55Å; E174-G178 VanDerWaalsContact O-CA 3.3Å; E174-G178 WeakPolarHBondContact O-CA 3.23Å; E174-G178 PolarHBondContact O-N 3.33Å
179	K	94.2	Very high	96.5	Very high	148 Å²	148	46.2 Å²	46.2	64%	0.643	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-37.6	178.1	-69.6	172.2	-173.2	154.6	0	113.6	E174 D175 Y177	E174-K179 PolarHBondContact O-N 2.87Å; D175-K179 VanDerWaalsContact OD1-CE 3.24Å; D175-K179 WeakPolarHBondContact OD1-CE 3.46Å; D175-K179 IonicContact OD1-NZ 2.9Å; D175-K179 PolarHBondContact OD1-NZ 3.13Å; Y177-K179 PolarHBondContact O-N 3.5Å; Y177-K179 VanDerWaalsContact O-N 3.13Å
180	T	94.3	Very high	96.6	Very high	98 Å²	98	46.2 Å²	46.2	60%	0.601	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-8.6	-179.4	59.5	0	0	0	0	112.5	Y177 R182	Y177-T180 PolarHBondContact O-N 2.99Å; Y177-T180 VanDerWaalsContact O-N 3.17Å; Y177-T180 PolarHBondContact O-OG1 3.19Å; T180-R182 PolarHBondContact O-N 3.05Å
181	W	96.6	Very high	96.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	23%	0.226	C	C	.	.			trans	-59.2	131.1	-178.5	-172.9	92.4	0	0	0	112	W173 Y177 L183 V186 I316 K364 L367	W173-W181 HydrophobicContact CH2-CB 4.3Å; W173-W181 AromaticContact CH2-CD1 3.9Å; W173-W181 AromaticContact CH2-CG 4Å; W173-W181 HydrophobicContact CH2-CG 4Å; W173-W181 AromaticContact CZ2-CD1 3.64Å; W173-W181 HydrophobicContact CZ2-CG 4.16Å; Y177-W181 WeakPolarHBondContact O-CB 3.44Å; Y177-W181 PolarHBondContact O-N 3.01Å; W181-L183 HydrophobicContact CH2-CB 3.55Å; W181-L183 HydrophobicContact CH2-CD1 3.7Å; W181-L183 HydrophobicContact CH2-CG 4.18Å; W181-L183 HydrophobicContact CZ2-CB 4.21Å; W181-L183 HydrophobicContact CZ2-CD1 3.82Å; W181-L183 HydrophobicContact CZ3-CB 3.91Å; W181-V186 VanDerWaalsContact NE1-CG2 3.29Å; W181-I316 HydrophobicContact CZ3-CG2 4.31Å; W181-K364 HydrophobicContact CD2-CB 4.23Å; W181-K364 HydrophobicContact CD2-CD 4.49Å; W181-K364 HydrophobicContact CD2-CG 4.36Å; W181-K364 HydrophobicContact CE3-CB 3.85Å; W181-K364 HydrophobicContact CE3-CD 3.7Å; W181-K364 HydrophobicContact CE3-CG 3.52Å; W181-K364 HydrophobicContact CH2-CB 4.49Å; W181-K364 HydrophobicContact CH2-CG 4.45Å; W181-K364 HydrophobicContact CZ3-CB 4Å; W181-K364 HydrophobicContact CZ3-CD 4.23Å; W181-K364 HydrophobicContact CZ3-CG 3.59Å; W181-L367 HydrophobicContact CH2-CB 4.18Å; W181-L367 HydrophobicContact CH2-CD1 4.15Å; W181-L367 HydrophobicContact CZ2-CB 4.3Å
182	R	96.1	Very high	96.8	Very high	62 Å²	62	44.2 Å²	44.2	23%	0.234	22%	0.215	C	C	.	.			trans	-131.5	135.6	168.9	-56.6	-167.9	51.5	-177.3	-0.7	108.7	T180 E184 D185 V186 Q319 Y325	T180-R182 PolarHBondContact O-N 3.05Å; R182-E184 VanDerWaalsContact C-N 3.25Å; R182-E184 IonicContact CZ-OE1 2.72Å; R182-E184 IonicContact NE-OE1 3.62Å; R182-E184 IonicContact NE-OE2 2.95Å; R182-E184 IonicContact NH2-OE1 3.85Å; R182-E184 PolarHBondContact NH2-OE1 2.68Å; R182-E184 IonicContact NH2-OE2 3.22Å; R182-E184 PolarHBondContact O-N 3.32Å; R182-D185 HydrophobicContact CB-CB 4.3Å; R182-D185 WeakPolarHBondContact CB-OD2 3.44Å; R182-D185 WeakPolarHBondContact CD-OD2 3.24Å; R182-D185 PolarHBondContact O-N 2.94Å; R182-V186 WeakPolarHBondContact O-CG2 3.42Å; R182-V186 PolarHBondContact O-N 2.72Å; R182-Q319 VanDerWaalsContact CG-NE2 3.32Å; R182-Y325 VanDerWaalsContact CZ-CE1 3.47Å; R182-Y325 VanDerWaalsContact NH1-CE1 3.25Å; R182-Y325 PolarHBondContact NH1-OH 2.77Å
183	L	96.5	Very high	96.9	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-44.2	179	-176.5	60.9	0	0	0	110.7	W181 D185 V186 I187 L199 I316 F321	W181-L183 HydrophobicContact CH2-CB 3.55Å; W181-L183 HydrophobicContact CH2-CD1 3.7Å; W181-L183 HydrophobicContact CH2-CG 4.18Å; W181-L183 HydrophobicContact CZ2-CB 4.21Å; W181-L183 HydrophobicContact CZ2-CD1 3.82Å; W181-L183 HydrophobicContact CZ3-CB 3.91Å; L183-D185 VanDerWaalsContact C-N 3.31Å; L183-D185 PolarHBondContact O-N 2.85Å; L183-V186 PolarHBondContact O-N 2.89Å; L183-I187 HydrophobicContact CD1-CG2 3.74Å; L183-I187 HydrophobicContact CG-CD1 4.49Å; L183-I187 HydrophobicContact CG-CG2 4.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 2.93Å; L183-L199 HydrophobicContact CD1-CD1 3.84Å; L183-L199 HydrophobicContact CD2-CD1 3.98Å; L183-L199 HydrophobicContact CG-CD1 4.45Å; L183-I316 HydrophobicContact CB-CD1 4.2Å; L183-I316 HydrophobicContact CD2-CD1 3.56Å; L183-I316 HydrophobicContact CD2-CG1 4.24Å; L183-F321 HydrophobicContact CD2-CD2 4.17Å; L183-F321 HydrophobicContact CD2-CE2 4.32Å; L183-F321 HydrophobicContact CG-CD2 4.47Å; L183-F321 HydrophobicContact CG-CE2 4.35Å
184	E	97.4	Very high	96.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-43.9	-178.8	-54.9	96.5	129.7	0	0	112.2	R182 A188 F321 N322 Y325 F326	R182-E184 VanDerWaalsContact C-N 3.25Å; R182-E184 IonicContact CZ-OE1 2.72Å; R182-E184 IonicContact NE-OE1 3.62Å; R182-E184 IonicContact NE-OE2 2.95Å; R182-E184 IonicContact NH2-OE1 3.85Å; R182-E184 PolarHBondContact NH2-OE1 2.68Å; R182-E184 IonicContact NH2-OE2 3.22Å; R182-E184 PolarHBondContact O-N 3.32Å; E184-A188 WeakPolarHBondContact O-CB 3.35Å; E184-A188 PolarHBondContact O-N 3.01Å; E184-F321 HydrophobicContact CB-CE2 4.3Å; E184-F321 HydrophobicContact CG-CD1 4.44Å; E184-F321 HydrophobicContact CG-CD2 3.64Å; E184-F321 HydrophobicContact CG-CE1 4.37Å; E184-F321 HydrophobicContact CG-CE2 3.58Å; E184-F321 HydrophobicContact CG-CG 4.08Å; E184-F321 HydrophobicContact CG-CZ 3.95Å; E184-N322 PolarHBondContact OE1-N 3.41Å; E184-Y325 HydrophobicContact CB-CD1 3.87Å; E184-Y325 HydrophobicContact CB-CE1 4.18Å; E184-Y325 HydrophobicContact CG-CD1 4.21Å; E184-F326 HydrophobicContact CB-CB 4.23Å; E184-F326 HydrophobicContact CG-CB 4.3Å
185	D	97.3	Very high	96.8	Very high	22 Å²	22	39 Å²	39	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-39.5	-177.6	-75.7	-52	0	0	0	111.6	F164 R182 L183 R189 Y325 K329	F164-D185 HydrophobicContact CE2-CB 4.3Å; F164-D185 HydrophobicContact CZ-CB 4.33Å; R182-D185 HydrophobicContact CB-CB 4.3Å; R182-D185 WeakPolarHBondContact CB-OD2 3.44Å; R182-D185 WeakPolarHBondContact CD-OD2 3.24Å; R182-D185 PolarHBondContact O-N 2.94Å; L183-D185 VanDerWaalsContact C-N 3.31Å; L183-D185 PolarHBondContact O-N 2.85Å; D185-R189 VanDerWaalsContact O-CB 3.23Å; D185-R189 WeakPolarHBondContact O-CB 3.5Å; D185-R189 PolarHBondContact O-N 2.79Å; D185-R189 VanDerWaalsContact O-N 3.1Å; D185-Y325 PolarHBondContact OD1-OH 3.31Å; D185-K329 WeakPolarHBondContact OD1-CE 3.35Å; D185-K329 IonicContact OD1-NZ 3.74Å; D185-K329 PolarHBondContact OD1-NZ 3.45Å
186	V	97.4	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.5	-51.5	-179.7	-172.2	0	0	0	0	111	F164 W181 R182 L183 A188 R189 L190 V371	F164-V186 HydrophobicContact CB-CG2 4.48Å; F164-V186 HydrophobicContact CD2-CB 4.49Å; F164-V186 HydrophobicContact CD2-CG2 3.44Å; F164-V186 VanDerWaalsContact CD2-CG2 3.44Å; F164-V186 HydrophobicContact CE2-CG2 3.78Å; F164-V186 HydrophobicContact CG-CG2 4.07Å; W181-V186 VanDerWaalsContact NE1-CG2 3.29Å; R182-V186 WeakPolarHBondContact O-CG2 3.42Å; R182-V186 PolarHBondContact O-N 2.72Å; L183-V186 PolarHBondContact O-N 2.89Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.41Å; V186-R189 PolarHBondContact O-N 3.2Å; V186-L190 HydrophobicContact CG1-CD1 4.08Å; V186-L190 HydrophobicContact CG1-CG 4.49Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.04Å; V186-V371 HydrophobicContact CG1-CG2 3.81Å
187	I	97.7	Very high	96.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-30.4	-177	69.3	167.6	0	0	0	111.9	L183 N191 V198 V200 F321 F326 V371	L183-I187 HydrophobicContact CD1-CG2 3.74Å; L183-I187 HydrophobicContact CG-CD1 4.49Å; L183-I187 HydrophobicContact CG-CG2 4.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 2.93Å; I187-N191 VanDerWaalsContact O-CB 3.25Å; I187-N191 WeakPolarHBondContact O-CB 3.47Å; I187-N191 PolarHBondContact O-N 3.49Å; I187-V198 HydrophobicContact CB-CG2 4.46Å; I187-V198 HydrophobicContact CG2-CG2 3.9Å; I187-V200 HydrophobicContact CD1-CB 4.2Å; I187-V200 HydrophobicContact CD1-CG2 3.97Å; I187-F321 HydrophobicContact CD1-CE2 3.75Å; I187-F321 HydrophobicContact CD1-CZ 3.92Å; I187-F321 HydrophobicContact CG1-CE2 4.48Å; I187-F326 HydrophobicContact CD1-CD2 4.2Å; I187-F326 HydrophobicContact CD1-CE2 3.87Å; I187-F326 HydrophobicContact CD1-CZ 4.36Å; I187-F326 HydrophobicContact CG1-CD2 3.95Å; I187-F326 HydrophobicContact CG1-CE2 3.61Å; I187-F326 HydrophobicContact CG1-CZ 4.49Å; I187-V371 HydrophobicContact CG2-CG1 4.13Å
188	A	98.3	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-47.1	170.9	0	0	0	0	0	110.6	E184 V186 N191 W192 F326 K329 I330	E184-A188 WeakPolarHBondContact O-CB 3.35Å; E184-A188 PolarHBondContact O-N 3.01Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.41Å; A188-N191 WeakPolarHBondContact O-CB 3.19Å; A188-N191 PolarHBondContact O-N 3.38Å; A188-N191 VanDerWaalsContact O-N 3.16Å; A188-W192 PolarHBondContact O-N 3.35Å; A188-F326 HydrophobicContact CB-CD2 3.87Å; A188-F326 HydrophobicContact CB-CE2 3.93Å; A188-K329 HydrophobicContact CB-CB 3.74Å; A188-I330 HydrophobicContact CB-CD1 4.34Å; A188-I330 HydrophobicContact CB-CG1 3.76Å
189	R	98.1	Very high	96.4	Very high	75 Å²	75	28.4 Å²	28.4	28%	0.283	14%	0.137	S	C	.	.	H	α-helix	trans	-64.4	-43	179.9	-168.5	177.8	-63	-138.7	6.6	112.6	D162 I163 D185 V186 N191 K193 Y194	D162-R189 WeakPolarHBondContact O-CD 3.37Å; D162-R189 PolarHBondContact O-NE 2.83Å; D162-R189 PolarHBondContact O-NH1 3.36Å; D162-R189 VanDerWaalsContact O-NH1 3.12Å; D162-R189 IonicContact OD1-CZ 3.52Å; D162-R189 IonicContact OD1-NH1 3.7Å; D162-R189 PolarHBondContact OD1-NH1 3.45Å; D162-R189 WeakPolarHBondContact OD2-CD 3.46Å; D162-R189 IonicContact OD2-NH1 3.08Å; I163-R189 HydrophobicContact CG2-CG 4.48Å; D185-R189 VanDerWaalsContact O-CB 3.23Å; D185-R189 WeakPolarHBondContact O-CB 3.5Å; D185-R189 PolarHBondContact O-N 2.79Å; D185-R189 VanDerWaalsContact O-N 3.1Å; V186-R189 PolarHBondContact O-N 3.2Å; R189-N191 VanDerWaalsContact C-N 3.28Å; R189-N191 PolarHBondContact O-N 2.99Å; R189-K193 VanDerWaalsContact O-CB 3.25Å; R189-K193 WeakPolarHBondContact O-CB 3.48Å; R189-K193 PolarHBondContact O-N 3.39Å; R189-K193 VanDerWaalsContact O-N 3.08Å; R189-Y194 HydrophobicContact CG-CE2 4.35Å
190	L	97.9	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-40	172.4	-76.3	173.1	0	0	0	111.7	I163 V186 Y194 A195 T196 V198 V371 F375	I163-L190 HydrophobicContact CD1-CD2 4.05Å; I163-L190 HydrophobicContact CG2-CD2 3.97Å; I163-L190 HydrophobicContact CG2-CG 4.38Å; V186-L190 HydrophobicContact CG1-CD1 4.08Å; V186-L190 HydrophobicContact CG1-CG 4.49Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.04Å; L190-Y194 HydrophobicContact CD2-CD2 4.24Å; L190-Y194 CarbonylContact O-C 3.47Å; L190-Y194 VanDerWaalsContact O-C 3.29Å; L190-Y194 WeakPolarHBondContact O-CA 3.45Å; L190-Y194 WeakPolarHBondContact O-CB 3.37Å; L190-Y194 PolarHBondContact O-N 2.89Å; L190-A195 PolarHBondContact O-N 3.41Å; L190-A195 VanDerWaalsContact O-N 3.15Å; L190-T196 CarbonylContact C-O 3.59Å; L190-T196 WeakPolarHBondContact CB-O 3.3Å; L190-T196 PolarHBondContact O-N 2.91Å; L190-V198 HydrophobicContact CD1-CG2 4.08Å; L190-V371 HydrophobicContact CD1-CB 3.84Å; L190-V371 HydrophobicContact CD1-CG2 4.2Å; L190-F375 HydrophobicContact CD2-CB 3.94Å; L190-F375 HydrophobicContact CD2-CD1 4.18Å; L190-F375 HydrophobicContact CD2-CD2 4.48Å; L190-F375 HydrophobicContact CD2-CG 3.97Å
191	N	97.2	Very high	96.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-63.4	177.7	-178.2	-69.4	0	0	0	111.6	I187 A188 R189 A195 T196 Q197 F202 I330	I187-N191 VanDerWaalsContact O-CB 3.25Å; I187-N191 WeakPolarHBondContact O-CB 3.47Å; I187-N191 PolarHBondContact O-N 3.49Å; A188-N191 WeakPolarHBondContact O-CB 3.19Å; A188-N191 PolarHBondContact O-N 3.38Å; A188-N191 VanDerWaalsContact O-N 3.16Å; R189-N191 VanDerWaalsContact C-N 3.28Å; R189-N191 PolarHBondContact O-N 2.99Å; N191-A195 WeakPolarHBondContact O-CA 3.39Å; N191-A195 PolarHBondContact O-N 3.03Å; N191-T196 PolarHBondContact N-O 2.89Å; N191-Q197 PolarHBondContact ND2-NE2 3.48Å; N191-F202 PolarHBondContact ND2-O 3.24Å; N191-I330 HydrophobicContact CB-CD1 4.01Å
192	W	97.1	Very high	96.6	Very high	46 Å²	46	20.2 Å²	20.2	17%	0.174	9%	0.092	C	C	.	.	H	α-helix	trans	-77	-30.7	-167.5	74.5	-108	0	0	0	113.9	A188 I330 T333 E515 T518 L522	A188-W192 PolarHBondContact O-N 3.35Å; W192-I330 HydrophobicContact CB-CG2 4.16Å; W192-T333 HydrophobicContact CD2-CG2 3.61Å; W192-T333 HydrophobicContact CE3-CG2 4.04Å; W192-T333 HydrophobicContact CG-CG2 3.81Å; W192-T333 HydrophobicContact CZ2-CG2 4.21Å; W192-E515 HydrophobicContact CE3-CG 4.37Å; W192-E515 HydrophobicContact CZ3-CG 4.09Å; W192-T518 WeakPolarHBondContact O-CB 3.37Å; W192-L522 HydrophobicContact CB-CD1 4.15Å
193	K	97.3	Very high	96.7	Very high	46 Å²	46	19.3 Å²	19.3	20%	0.2	9%	0.09	C	C	.	.	H	α-helix	trans	-98.9	-33.9	-174.3	-165.3	174.8	176.8	-172.8	0	113.2	D162 R189 E515	D162-K193 IonicContact OD1-NZ 2.79Å; D162-K193 PolarHBondContact OD1-NZ 2.87Å; D162-K193 WeakPolarHBondContact OD2-CD 3.48Å; D162-K193 IonicContact OD2-NZ 3.88Å; D162-K193 PolarHBondContact OD2-NZ 3.23Å; R189-K193 VanDerWaalsContact O-CB 3.25Å; R189-K193 WeakPolarHBondContact O-CB 3.48Å; R189-K193 PolarHBondContact O-N 3.39Å; R189-K193 VanDerWaalsContact O-N 3.08Å; K193-E515 HydrophobicContact CG-CB 4.48Å; K193-E515 HydrophobicContact CG-CG 4.39Å; K193-E515 WeakPolarHBondContact O-CA 3.46Å; K193-E515 WeakPolarHBondContact O-CB 3.33Å; K193-E515 PolarHBondContact O-N 3.46Å
194	Y	96.7	Very high	96.8	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-119	8.8	-169.8	-60.8	-64.4	0	0	0	113.5	M159 D162 I163 R189 L190 T196 F375 L511	M159-Y194 HydrophobicContact CG-CE1 4.02Å; M159-Y194 WeakPolarHBondContact CG-OH 3.46Å; M159-Y194 HydrophobicContact SD-CE1 3.86Å; D162-Y194 VanDerWaalsContact OD2-CE2 3.3Å; D162-Y194 WeakPolarHBondContact OD2-CE2 3.42Å; D162-Y194 PolarHBondContact OD2-OH 3.37Å; I163-Y194 HydrophobicContact CG2-CD2 3.76Å; I163-Y194 HydrophobicContact CG2-CE2 3.41Å; I163-Y194 VanDerWaalsContact CG2-CE2 3.41Å; R189-Y194 HydrophobicContact CG-CE2 4.35Å; L190-Y194 HydrophobicContact CD2-CD2 4.24Å; L190-Y194 CarbonylContact O-C 3.47Å; L190-Y194 VanDerWaalsContact O-C 3.29Å; L190-Y194 WeakPolarHBondContact O-CA 3.45Å; L190-Y194 WeakPolarHBondContact O-CB 3.37Å; L190-Y194 PolarHBondContact O-N 2.89Å; Y194-T196 PolarHBondContact O-N 3.09Å; Y194-T196 PolarHBondContact O-OG1 2.62Å; Y194-T196 VanDerWaalsContact O-OG1 3.05Å; Y194-F375 AromaticContact CD1-CE2 3.96Å; Y194-F375 HydrophobicContact CD1-CE2 3.96Å; Y194-F375 AromaticContact CD1-CZ 3.6Å; Y194-F375 HydrophobicContact CD1-CZ 3.6Å; Y194-F375 HydrophobicContact CE1-CZ 4.15Å; Y194-F375 AromaticContact CG-CE2 3.97Å; Y194-F375 HydrophobicContact CG-CE2 3.97Å; Y194-F375 AromaticContact CG-CZ 3.84Å; Y194-F375 HydrophobicContact CG-CZ 3.84Å; Y194-L511 HydrophobicContact CD1-CD2 3.89Å; Y194-L511 HydrophobicContact CE1-CD1 4.29Å; Y194-L511 HydrophobicContact CE1-CD2 3.83Å; Y194-L511 HydrophobicContact CE1-CG 4.46Å
195	A	96	Very high	96.7	Very high	40 Å²	40	23.4 Å²	23.4	33%	0.331	11%	0.106	S	C	.	.			trans	46	34.1	-178.5	0	0	0	0	0	113.2	L190 N191 L514 T518	L190-A195 PolarHBondContact O-N 3.41Å; L190-A195 VanDerWaalsContact O-N 3.15Å; N191-A195 WeakPolarHBondContact O-CA 3.39Å; N191-A195 PolarHBondContact O-N 3.03Å; A195-L514 HydrophobicContact CB-CB 4.2Å; A195-L514 HydrophobicContact CB-CD2 3.95Å; A195-T518 WeakPolarHBondContact CB-OG1 3.38Å
196	T	95.4	Very high	96.7	Very high	6 Å²	6	23 Å²	23	4%	0.037	10%	0.104	C	C	.	.			trans	-113.9	112.8	-177.9	-64.9	0	0	0	0	109.3	L190 N191 Y194 V198 F375	L190-T196 CarbonylContact C-O 3.59Å; L190-T196 WeakPolarHBondContact CB-O 3.3Å; L190-T196 PolarHBondContact O-N 2.91Å; N191-T196 PolarHBondContact N-O 2.89Å; Y194-T196 PolarHBondContact O-N 3.09Å; Y194-T196 PolarHBondContact O-OG1 2.62Å; Y194-T196 VanDerWaalsContact O-OG1 3.05Å; T196-V198 HydrophobicContact CG2-CG1 4.04Å; T196-F375 HydrophobicContact CG2-CB 4.06Å; T196-F375 WeakPolarHBondContact OG1-CD2 3.3Å
197	Q	93.3	Very high	96.6	Very high	29 Å²	29	23.1 Å²	23.1	14%	0.136	11%	0.105	C	C	.	.			trans	-109	118.7	-176.9	-51.1	-163.2	5.9	0	0	109.4	N191 Y201 F202	N191-Q197 PolarHBondContact ND2-NE2 3.48Å; Q197-Y201 HydrophobicContact CB-CD2 3.64Å; Q197-Y201 HydrophobicContact CB-CE2 4.04Å; Q197-Y201 HydrophobicContact CB-CG 4.44Å; Q197-Y201 HydrophobicContact CG-CD2 4.18Å; Q197-Y201 HydrophobicContact CG-CE2 4.18Å; Q197-Y201 VanDerWaalsContact OE1-CA 3.29Å; Q197-F202 PolarHBondContact NE2-O 3.31Å; Q197-F202 PolarHBondContact OE1-O 3.19Å
198	V	94.3	Very high	96.3	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.109	C	C	.	.			trans	-138.3	138.1	-173.9	-70.9	0	0	0	0	108.6	I187 L190 T196 V200 V371 R374	I187-V198 HydrophobicContact CB-CG2 4.46Å; I187-V198 HydrophobicContact CG2-CG2 3.9Å; L190-V198 HydrophobicContact CD1-CG2 4.08Å; T196-V198 HydrophobicContact CG2-CG1 4.04Å; V198-V200 PolarHBondContact O-N 3.35Å; V198-V371 HydrophobicContact CB-CG1 4.29Å; V198-V371 HydrophobicContact CG2-CB 3.85Å; V198-V371 HydrophobicContact CG2-CG1 3.62Å; V198-R374 HydrophobicContact CG1-CB 3.57Å; V198-R374 HydrophobicContact CG1-CG 3.83Å
199	L	95.9	Very high	96	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.126	C	C	.	.	S	Bend	trans	63.2	-43	-173.8	-51.4	172	0	0	0	115.3	L183 I283 Y351 L355 L359 Y370 V371	L183-L199 HydrophobicContact CD1-CD1 3.84Å; L183-L199 HydrophobicContact CD2-CD1 3.98Å; L183-L199 HydrophobicContact CG-CD1 4.45Å; L199-I283 HydrophobicContact CD2-CD1 3.44Å; L199-I283 VanDerWaalsContact CD2-CD1 3.44Å; L199-I283 HydrophobicContact CD2-CG1 4.06Å; L199-Y351 VanDerWaalsContact O-CE1 3.28Å; L199-Y351 WeakPolarHBondContact O-CE1 3.12Å; L199-Y351 PolarHBondContact O-OH 3.1Å; L199-Y351 VanDerWaalsContact O-OH 3.05Å; L199-L355 HydrophobicContact CD2-CD1 4.35Å; L199-L359 HydrophobicContact CD1-CD2 4.39Å; L199-Y370 HydrophobicContact CD2-CD1 4.43Å; L199-Y370 HydrophobicContact CD2-CE1 3.9Å; L199-Y370 HydrophobicContact CG-CE1 4.31Å; L199-V371 HydrophobicContact CD1-CG1 4.35Å
200	V	95.9	Very high	95.9	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.024	13%	0.127	C	C	.	.	S	Bend	trans	-127.7	119.5	176.7	-178.1	0	0	0	0	107.9	I187 V198 F218 W323 F326 F352	I187-V200 HydrophobicContact CD1-CB 4.2Å; I187-V200 HydrophobicContact CD1-CG2 3.97Å; V198-V200 PolarHBondContact O-N 3.35Å; V200-F218 HydrophobicContact CG1-CD1 3.82Å; V200-F218 HydrophobicContact CG1-CE1 4.35Å; V200-W323 HydrophobicContact CG1-CH2 4.45Å; V200-W323 HydrophobicContact CG1-CZ3 3.77Å; V200-W323 HydrophobicContact CG2-CH2 3.94Å; V200-W323 HydrophobicContact CG2-CZ3 3.88Å; V200-F326 HydrophobicContact CB-CZ 4.44Å; V200-F326 HydrophobicContact CG1-CE1 3.9Å; V200-F326 HydrophobicContact CG1-CZ 4.2Å; V200-F352 HydrophobicContact CG1-CE1 4.49Å; V200-F352 HydrophobicContact CG2-CE1 4.19Å
201	Y	96.4	Very high	95.9	Very high	72 Å²	72	24.8 Å²	24.8	28%	0.282	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	106.1	172.9	-166.2	-91.2	0	0	0	107.8	Q197 F203 D219 Q220 M222	Q197-Y201 HydrophobicContact CB-CD2 3.64Å; Q197-Y201 HydrophobicContact CB-CE2 4.04Å; Q197-Y201 HydrophobicContact CB-CG 4.44Å; Q197-Y201 HydrophobicContact CG-CD2 4.18Å; Q197-Y201 HydrophobicContact CG-CE2 4.18Å; Q197-Y201 VanDerWaalsContact OE1-CA 3.29Å; Y201-F203 AromaticContact CD1-CD1 3.37Å; Y201-F203 HydrophobicContact CD1-CD1 3.37Å; Y201-F203 AromaticContact CD1-CE1 3.49Å; Y201-F203 HydrophobicContact CD1-CE1 3.49Å; Y201-F203 VanDerWaalsContact CD1-CE1 3.49Å; Y201-F203 HydrophobicContact CD1-CG 4.45Å; Y201-F203 AromaticContact CE1-CD1 3.29Å; Y201-F203 HydrophobicContact CE1-CD1 3.29Å; Y201-F203 AromaticContact CE1-CE1 3.49Å; Y201-F203 HydrophobicContact CE1-CE1 3.49Å; Y201-F203 VanDerWaalsContact CE1-CE1 3.49Å; Y201-F203 HydrophobicContact CE1-CG 4.03Å; Y201-F203 HydrophobicContact CE1-CZ 4.34Å; Y201-D219 HydrophobicContact CD1-CB 3.98Å; Y201-D219 HydrophobicContact CG-CB 4.34Å; Y201-D219 PolarHBondContact N-O 2.89Å; Y201-D219 PolarHBondContact O-N 3.18Å; Y201-Q220 VanDerWaalsContact CB-O 3.24Å; Y201-Q220 WeakPolarHBondContact CB-O 3.49Å; Y201-M222 HydrophobicContact CD1-CG 4.28Å; Y201-M222 HydrophobicContact CD2-CB 4.16Å; Y201-M222 HydrophobicContact CD2-CG 4.16Å; Y201-M222 HydrophobicContact CE2-CB 4.34Å; Y201-M222 HydrophobicContact CG-CG 4.08Å
202	F	97.2	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126	-174.4	174.3	-79.5	0	0	0	109.1	N191 Q197 I216 Y217 F218 F326 T327 I330 M331 L522	N191-F202 PolarHBondContact ND2-O 3.24Å; Q197-F202 PolarHBondContact NE2-O 3.31Å; Q197-F202 PolarHBondContact OE1-O 3.19Å; F202-I216 HydrophobicContact CD2-CG2 3.91Å; F202-I216 HydrophobicContact CE2-CG2 3.29Å; F202-I216 HydrophobicContact CZ-CD1 4.28Å; F202-I216 HydrophobicContact CZ-CG1 4.19Å; F202-I216 HydrophobicContact CZ-CG2 3.74Å; F202-Y217 WeakPolarHBondContact CA-O 3.33Å; F202-F218 HydrophobicContact CD2-CD1 4.12Å; F202-F218 AromaticContact CD2-CE1 3.56Å; F202-F218 HydrophobicContact CD2-CE1 3.56Å; F202-F218 HydrophobicContact CD2-CE2 4.21Å; F202-F218 AromaticContact CD2-CZ 3.61Å; F202-F218 HydrophobicContact CD2-CZ 3.61Å; F202-F218 HydrophobicContact CE2-CE1 4.1Å; F202-F218 HydrophobicContact CE2-CE2 4.15Å; F202-F218 AromaticContact CE2-CZ 3.66Å; F202-F218 HydrophobicContact CE2-CZ 3.66Å; F202-F326 HydrophobicContact CB-CE1 3.96Å; F202-F326 HydrophobicContact CB-CZ 3.96Å; F202-F326 AromaticContact CD2-CE1 3.83Å; F202-F326 HydrophobicContact CD2-CE1 3.83Å; F202-F326 HydrophobicContact CG-CE1 4.09Å; F202-F326 HydrophobicContact CG-CZ 4.34Å; F202-T327 HydrophobicContact CE2-CG2 3.97Å; F202-T327 HydrophobicContact CZ-CG2 4.15Å; F202-I330 HydrophobicContact CB-CD1 4.28Å; F202-I330 HydrophobicContact CD1-CD1 3.57Å; F202-I330 HydrophobicContact CD1-CG2 3.98Å; F202-I330 HydrophobicContact CD2-CD1 4.4Å; F202-I330 HydrophobicContact CE1-CB 4.12Å; F202-I330 HydrophobicContact CE1-CD1 3.98Å; F202-I330 HydrophobicContact CE1-CG2 3.53Å; F202-I330 HydrophobicContact CG-CD1 3.83Å; F202-I330 HydrophobicContact CZ-CG2 4.31Å; F202-M331 HydrophobicContact CE1-SD 4Å; F202-M331 HydrophobicContact CZ-CG 4.12Å; F202-M331 HydrophobicContact CZ-SD 3.91Å; F202-L522 HydrophobicContact CD1-CD2 4.47Å; F202-L522 HydrophobicContact CE1-CD2 3.86Å
203	F	97.3	Very high	95.9	Very high	44 Å²	44	27.5 Å²	27.5	19%	0.193	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.8	178.4	64.7	-74.9	0	0	0	111.4	Y201 Y205 Y217 D219	Y201-F203 AromaticContact CD1-CD1 3.37Å; Y201-F203 HydrophobicContact CD1-CD1 3.37Å; Y201-F203 AromaticContact CD1-CE1 3.49Å; Y201-F203 HydrophobicContact CD1-CE1 3.49Å; Y201-F203 VanDerWaalsContact CD1-CE1 3.49Å; Y201-F203 HydrophobicContact CD1-CG 4.45Å; Y201-F203 AromaticContact CE1-CD1 3.29Å; Y201-F203 HydrophobicContact CE1-CD1 3.29Å; Y201-F203 AromaticContact CE1-CE1 3.49Å; Y201-F203 HydrophobicContact CE1-CE1 3.49Å; Y201-F203 VanDerWaalsContact CE1-CE1 3.49Å; Y201-F203 HydrophobicContact CE1-CG 4.03Å; Y201-F203 HydrophobicContact CE1-CZ 4.34Å; F203-Y205 HydrophobicContact CD2-CG 4.5Å; F203-Y205 HydrophobicContact CE2-CG 4.2Å; F203-Y217 HydrophobicContact CD2-CD2 4.43Å; F203-Y217 HydrophobicContact CE1-CG 4.04Å; F203-Y217 AromaticContact CE2-CD2 3.87Å; F203-Y217 HydrophobicContact CE2-CD2 3.87Å; F203-Y217 AromaticContact CE2-CG 3.85Å; F203-Y217 HydrophobicContact CE2-CG 3.85Å; F203-Y217 AromaticContact CZ-CD1 3.99Å; F203-Y217 HydrophobicContact CZ-CD1 3.99Å; F203-Y217 HydrophobicContact CZ-CD2 4.07Å; F203-Y217 AromaticContact CZ-CG 3.55Å; F203-Y217 HydrophobicContact CZ-CG 3.55Å; F203-Y217 PolarHBondContact N-O 3.34Å; F203-Y217 PolarHBondContact O-N 3.2Å; F203-D219 HydrophobicContact CE1-CB 4.45Å
204	V	98.3	Very high	95.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128	172.2	172.2	0	0	0	0	107.3	H214 I215 I216 M331 L522 L525	V204-H214 HydrophobicContact CG1-CB 3.93Å; V204-I215 WeakPolarHBondContact CA-O 3.4Å; V204-I216 HydrophobicContact CG2-CG1 4.04Å; V204-M331 HydrophobicContact CG2-CE 4.34Å; V204-M331 HydrophobicContact CG2-SD 4.21Å; V204-L522 HydrophobicContact CG2-CD2 4.06Å; V204-L525 HydrophobicContact CG1-CB 3.82Å; V204-L525 HydrophobicContact CG1-CD1 4.14Å; V204-L525 HydrophobicContact CG2-CB 4.1Å; V204-L525 HydrophobicContact CG2-CD1 4.33Å
205	Y	96.2	Very high	96	Very high	86 Å²	86	26.5 Å²	26.5	34%	0.337	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	175.9	-179.5	-162.3	-110.4	0	0	0	110.9	F203 D207 H214 I215 D548	F203-Y205 HydrophobicContact CD2-CG 4.5Å; F203-Y205 HydrophobicContact CE2-CG 4.2Å; Y205-D207 PolarHBondContact O-N 3.18Å; Y205-H214 CarbonylContact O-C 3.37Å; Y205-H214 WeakPolarHBondContact O-CA 3.46Å; Y205-H214 WeakPolarHBondContact O-CB 3.23Å; Y205-I215 PolarHBondContact N-O 3.3Å; Y205-I215 VanDerWaalsContact N-O 3.14Å; Y205-I215 PolarHBondContact O-N 2.73Å; Y205-D548 VanDerWaalsContact CE1-OD2 3.3Å; Y205-D548 WeakPolarHBondContact CE1-OD2 3.21Å; Y205-D548 PolarHBondContact OH-OD2 3.38Å
206	I	96.3	Very high	96.1	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.072	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.3	177.4	-58.8	177.3	0	0	0	108.8	D208 S213 Y217 V529 D548 V549	I206-D208 PolarHBondContact O-N 2.04Å; I206-S213 WeakPolarHBondContact CA-O 3.48Å; I206-Y217 WeakPolarHBondContact O-CE2 3.28Å; I206-Y217 PolarHBondContact O-OH 2.93Å; I206-V529 HydrophobicContact CB-CG2 4.47Å; I206-V529 HydrophobicContact CD1-CG1 3.88Å; I206-V529 HydrophobicContact CD1-CG2 4.39Å; I206-V529 HydrophobicContact CG1-CG1 4.26Å; I206-V529 HydrophobicContact CG1-CG2 3.89Å; I206-V529 HydrophobicContact CG2-CG2 4.17Å; I206-D548 HydrophobicContact CB-CB 4.36Å; I206-D548 HydrophobicContact CD1-CB 4.14Å; I206-D548 HydrophobicContact CG2-CB 4.06Å; I206-V549 HydrophobicContact CD1-CG1 3.72Å
207	D	95.8	Very high	96.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.7	173.8	-174.3	-19.7	0	0	0	109.3	Y205 G209 D210 S211 S213 I215 Y300 K302	Y205-D207 PolarHBondContact O-N 3.18Å; D207-G209 PolarHBondContact O-N 3.4Å; D207-G209 VanDerWaalsContact O-N 3.14Å; D207-G209 PolarHBondContact OD1-N 3.29Å; D207-D210 HydrophobicContact CB-CB 4.38Å; D207-D210 CarbonylContact O-C 3.42Å; D207-D210 PolarHBondContact O-N 3.23Å; D207-D210 VanDerWaalsContact O-O 3.09Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S213 PolarHBondContact N-O 3.21Å; D207-I215 HydrophobicContact CB-CB 4.08Å; D207-I215 HydrophobicContact CB-CG2 3.63Å; D207-Y300 WeakPolarHBondContact OD1-CE2 3.16Å; D207-Y300 PolarHBondContact OD1-OH 3.46Å; D207-K302 IonicContact OD2-NZ 2.73Å; D207-K302 PolarHBondContact OD2-NZ 2.98Å
208	D	91.8	Very high	96.4	Very high	23 Å²	23	23 Å²	23	12%	0.123	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.9	177.2	-69.7	-67.2	0	0	0	112.1	I206 Y217 Y300 Y596 N601 L602	I206-D208 PolarHBondContact O-N 2.04Å; D208-Y217 PolarHBondContact N-OH 2.7Å; D208-Y217 PolarHBondContact OD2-OH 2.78Å; D208-Y300 HydrophobicContact CB-CD2 3.91Å; D208-Y300 HydrophobicContact CB-CE2 3.97Å; D208-Y596 HydrophobicContact CB-CE1 4.48Å; D208-Y596 PolarHBondContact OD1-OH 3.01Å; D208-N601 CarbonylContact O-C 3.59Å; D208-N601 WeakPolarHBondContact O-CA 3.44Å; D208-L602 HydrophobicContact CB-CB 4.08Å; D208-L602 HydrophobicContact CB-CD2 4.28Å; D208-L602 VanDerWaalsContact O-CB 3.27Å; D208-L602 WeakPolarHBondContact O-CB 3.37Å; D208-L602 PolarHBondContact O-N 3.32Å
209	G	92.7	Very high	96.4	Very high	35 Å²	35	23.4 Å²	23.4	36%	0.361	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.6	176.9	0	0	0	0	0	114.7	D207	D207-G209 PolarHBondContact O-N 3.4Å; D207-G209 VanDerWaalsContact O-N 3.14Å; D207-G209 PolarHBondContact OD1-N 3.29Å
210	D	95.8	Very high	96.3	Very high	57 Å²	57	23.5 Å²	23.5	31%	0.305	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	90	178.4	173.3	21.4	0	0	0	111	D207 T212 S213	D207-D210 HydrophobicContact CB-CB 4.38Å; D207-D210 CarbonylContact O-C 3.42Å; D207-D210 PolarHBondContact O-N 3.23Å; D207-D210 VanDerWaalsContact O-O 3.09Å; D210-T212 PolarHBondContact O-N 2.95Å; D210-T212 WeakPolarHBondContact OD1-CB 3.4Å; D210-T212 PolarHBondContact OD1-N 3.39Å; D210-T212 VanDerWaalsContact OD1-N 3.12Å; D210-T212 PolarHBondContact OD1-OG1 2.61Å; D210-T212 PolarHBondContact OD2-OG1 2.6Å; D210-S213 PolarHBondContact O-N 2.85Å; D210-S213 PolarHBondContact O-OG 3.34Å; D210-S213 WeakPolarHBondContact OD2-CB 3.25Å; D210-S213 PolarHBondContact OD2-OG 2.96Å
211	S	96.2	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-0.5	179.5	62.9	0	0	0	0	115.4	D207 V529 K531 D548 D599 N601	D207-S211 PolarHBondContact O-N 3.42Å; S211-V529 WeakPolarHBondContact O-CB 3.09Å; S211-V529 WeakPolarHBondContact O-CG2 3.13Å; S211-K531 WeakPolarHBondContact O-CE 3.38Å; S211-K531 PolarHBondContact OG-NZ 2.89Å; S211-K531 VanDerWaalsContact OG-NZ 3.09Å; S211-D548 WeakPolarHBondContact CB-O 3.03Å; S211-D599 PolarHBondContact OG-O 3.33Å; S211-N601 VanDerWaalsContact CB-OD1 3.32Å; S211-N601 WeakPolarHBondContact CB-OD1 3.3Å; S211-N601 PolarHBondContact N-OD1 3.15Å; S211-N601 PolarHBondContact OG-OD1 2.91Å
212	T	96.9	Very high	95.6	Very high	72 Å²	72	23.1 Å²	23.1	44%	0.442	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-12.2	177.2	76.9	0	0	0	0	113.3	D210 V529	D210-T212 PolarHBondContact O-N 2.95Å; D210-T212 WeakPolarHBondContact OD1-CB 3.4Å; D210-T212 PolarHBondContact OD1-N 3.39Å; D210-T212 VanDerWaalsContact OD1-N 3.12Å; D210-T212 PolarHBondContact OD1-OG1 2.61Å; D210-T212 PolarHBondContact OD2-OG1 2.6Å; T212-V529 PolarHBondContact O-N 3.5Å
213	S	97.4	Very high	95.2	Very high	33 Å²	33	25.3 Å²	25.3	23%	0.231	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	165.8	-176.4	65.4	0	0	0	0	112.8	I206 D207 D210	I206-S213 WeakPolarHBondContact CA-O 3.48Å; D207-S213 PolarHBondContact N-O 3.21Å; D210-S213 PolarHBondContact O-N 2.85Å; D210-S213 PolarHBondContact O-OG 3.34Å; D210-S213 WeakPolarHBondContact OD2-CB 3.25Å; D210-S213 PolarHBondContact OD2-OG 2.96Å
214	H	98.3	Very high	95	Very high	22 Å²	22	25.1 Å²	25.1	10%	0.102	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.7	173.2	-59.6	93.9	0	0	0	110.2	V204 Y205 K524 E527	V204-H214 HydrophobicContact CG1-CB 3.93Å; Y205-H214 CarbonylContact O-C 3.37Å; Y205-H214 WeakPolarHBondContact O-CA 3.46Å; Y205-H214 WeakPolarHBondContact O-CB 3.23Å; H214-K524 WeakPolarHBondContact CB-O 3.45Å; H214-K524 PolarHBondContact ND1-O 3.41Å; H214-E527 PolarHBondContact ND1-O 3Å
215	I	98.3	Very high	94.7	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.1	-179.7	-168.3	161.2	0	0	0	110.7	V204 Y205 D207 Y217 K302 K343 I345	V204-I215 WeakPolarHBondContact CA-O 3.4Å; Y205-I215 PolarHBondContact N-O 3.3Å; Y205-I215 VanDerWaalsContact N-O 3.14Å; Y205-I215 PolarHBondContact O-N 2.73Å; D207-I215 HydrophobicContact CB-CB 4.08Å; D207-I215 HydrophobicContact CB-CG2 3.63Å; I215-Y217 HydrophobicContact CG2-CD2 3.97Å; I215-Y217 HydrophobicContact CG2-CE2 3.36Å; I215-K302 HydrophobicContact CD1-CD 4.24Å; I215-K302 HydrophobicContact CD1-CG 4.45Å; I215-K343 HydrophobicContact CD1-CB 4.29Å; I215-K343 WeakPolarHBondContact CG1-O 3.35Å; I215-I345 HydrophobicContact CD1-CD1 4.16Å; I215-I345 HydrophobicContact CD1-CG1 3.96Å; I215-I345 HydrophobicContact CG1-CG1 4.49Å; I215-I345 HydrophobicContact CG2-CD1 3.58Å; I215-I345 HydrophobicContact CG2-CG1 4.28Å
216	I	98.6	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.5	173.4	-68.2	163.3	0	0	0	109.3	F202 V204 F218 T327 M331 V338 E342 I344 I345 L525	F202-I216 HydrophobicContact CD2-CG2 3.91Å; F202-I216 HydrophobicContact CE2-CG2 3.29Å; F202-I216 HydrophobicContact CZ-CD1 4.28Å; F202-I216 HydrophobicContact CZ-CG1 4.19Å; F202-I216 HydrophobicContact CZ-CG2 3.74Å; V204-I216 HydrophobicContact CG2-CG1 4.04Å; I216-F218 HydrophobicContact CG2-CD2 3.93Å; I216-F218 HydrophobicContact CG2-CE2 3.5Å; I216-F218 HydrophobicContact CG2-CZ 4.19Å; I216-T327 HydrophobicContact CD1-CG2 4.02Å; I216-M331 HydrophobicContact CD1-CG 4.5Å; I216-V338 HydrophobicContact CD1-CG1 4.19Å; I216-V338 HydrophobicContact CD1-CG2 4.16Å; I216-E342 HydrophobicContact CD1-CG 4.29Å; I216-I344 HydrophobicContact CB-CB 4.45Å; I216-I344 HydrophobicContact CB-CG2 3.99Å; I216-I344 HydrophobicContact CG2-CG2 4.21Å; I216-I344 CarbonylContact O-C 2.96Å; I216-I344 WeakPolarHBondContact O-CA 3.24Å; I216-I345 PolarHBondContact O-N 3.29Å; I216-L525 HydrophobicContact CD1-CD1 4.41Å; I216-L525 HydrophobicContact CD1-CD2 3.61Å; I216-L525 HydrophobicContact CG1-CD1 3.85Å; I216-L525 HydrophobicContact CG1-CD2 3.81Å; I216-L525 HydrophobicContact CG1-CG 4.48Å
217	Y	97.6	Very high	94	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138	172.5	-74.7	-98.3	0	0	0	111.4	F202 F203 I206 D208 I215 I345	F202-Y217 WeakPolarHBondContact CA-O 3.33Å; F203-Y217 HydrophobicContact CD2-CD2 4.43Å; F203-Y217 HydrophobicContact CE1-CG 4.04Å; F203-Y217 AromaticContact CE2-CD2 3.87Å; F203-Y217 HydrophobicContact CE2-CD2 3.87Å; F203-Y217 AromaticContact CE2-CG 3.85Å; F203-Y217 HydrophobicContact CE2-CG 3.85Å; F203-Y217 AromaticContact CZ-CD1 3.99Å; F203-Y217 HydrophobicContact CZ-CD1 3.99Å; F203-Y217 HydrophobicContact CZ-CD2 4.07Å; F203-Y217 AromaticContact CZ-CG 3.55Å; F203-Y217 HydrophobicContact CZ-CG 3.55Å; F203-Y217 PolarHBondContact N-O 3.34Å; F203-Y217 PolarHBondContact O-N 3.2Å; I206-Y217 WeakPolarHBondContact O-CE2 3.28Å; I206-Y217 PolarHBondContact O-OH 2.93Å; D208-Y217 PolarHBondContact N-OH 2.7Å; D208-Y217 PolarHBondContact OD2-OH 2.78Å; I215-Y217 HydrophobicContact CG2-CD2 3.97Å; I215-Y217 HydrophobicContact CG2-CE2 3.36Å; Y217-I345 CarbonylContact C-O 3.56Å; Y217-I345 WeakPolarHBondContact CA-O 3.08Å; Y217-I345 HydrophobicContact CD1-CB 3.73Å; Y217-I345 HydrophobicContact CD1-CD1 4.31Å; Y217-I345 HydrophobicContact CD1-CG2 3.68Å; Y217-I345 HydrophobicContact CE1-CB 3.81Å; Y217-I345 HydrophobicContact CE1-CD1 3.57Å; Y217-I345 HydrophobicContact CE1-CG1 4.3Å; Y217-I345 HydrophobicContact CE1-CG2 3.64Å; Y217-I345 HydrophobicContact CE2-CD1 4.17Å; Y217-I345 HydrophobicContact CG-CB 4.33Å; Y217-I345 VanDerWaalsContact CZ-CD1 3.48Å; Y217-I345 WeakPolarHBondContact OH-CD1 3.33Å
218	F	96.9	Very high	93.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.5	168.3	-72.9	-89.7	0	0	0	109.7	V200 F202 I216 L305 L308 W323 F326 T327 I344 I345 N346 N347 F352	V200-F218 HydrophobicContact CG1-CD1 3.82Å; V200-F218 HydrophobicContact CG1-CE1 4.35Å; F202-F218 HydrophobicContact CD2-CD1 4.12Å; F202-F218 AromaticContact CD2-CE1 3.56Å; F202-F218 HydrophobicContact CD2-CE1 3.56Å; F202-F218 HydrophobicContact CD2-CE2 4.21Å; F202-F218 AromaticContact CD2-CZ 3.61Å; F202-F218 HydrophobicContact CD2-CZ 3.61Å; F202-F218 HydrophobicContact CE2-CE1 4.1Å; F202-F218 HydrophobicContact CE2-CE2 4.15Å; F202-F218 AromaticContact CE2-CZ 3.66Å; F202-F218 HydrophobicContact CE2-CZ 3.66Å; I216-F218 HydrophobicContact CG2-CD2 3.93Å; I216-F218 HydrophobicContact CG2-CE2 3.5Å; I216-F218 HydrophobicContact CG2-CZ 4.19Å; F218-L305 HydrophobicContact CE2-CD1 4.36Å; F218-L305 HydrophobicContact CZ-CD1 4.31Å; F218-L308 HydrophobicContact CD1-CD2 4.03Å; F218-L308 HydrophobicContact CD2-CD2 3.73Å; F218-L308 HydrophobicContact CE1-CD2 4.06Å; F218-L308 HydrophobicContact CE2-CD2 3.77Å; F218-L308 HydrophobicContact CG-CD2 3.85Å; F218-L308 HydrophobicContact CZ-CD2 3.92Å; F218-W323 AromaticContact CD1-CE3 3.8Å; F218-W323 HydrophobicContact CD1-CE3 3.8Å; F218-W323 AromaticContact CD1-CZ3 3.66Å; F218-W323 HydrophobicContact CD1-CZ3 3.66Å; F218-W323 AromaticContact CE1-CE3 3.57Å; F218-W323 HydrophobicContact CE1-CE3 3.57Å; F218-W323 AromaticContact CE1-CZ3 3.87Å; F218-W323 HydrophobicContact CE1-CZ3 3.87Å; F218-W323 HydrophobicContact CZ-CE3 4.42Å; F218-F326 AromaticContact CE1-CD1 3.97Å; F218-F326 HydrophobicContact CE1-CD1 3.97Å; F218-F326 AromaticContact CE1-CE1 3.82Å; F218-F326 HydrophobicContact CE1-CE1 3.82Å; F218-T327 WeakPolarHBondContact CZ-OG1 3.39Å; F218-I344 HydrophobicContact CD2-CB 4.17Å; F218-I344 HydrophobicContact CD2-CD1 3.99Å; F218-I344 HydrophobicContact CD2-CG1 4.21Å; F218-I344 HydrophobicContact CE2-CB 4.18Å; F218-I344 HydrophobicContact CE2-CG1 4.3Å; F218-I344 HydrophobicContact CE2-CG2 4.16Å; F218-I345 PolarHBondContact N-O 2.8Å; F218-N346 WeakPolarHBondContact O-CA 3.38Å; F218-N346 PolarHBondContact O-OD1 3.4Å; F218-N347 PolarHBondContact O-N 3.28Å; F218-F352 HydrophobicContact CB-CE2 4.31Å; F218-F352 HydrophobicContact CB-CZ 4.37Å
219	D	94.4	Very high	93.1	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.2	-175.9	-81.1	15.6	0	0	0	111.4	Y201 F203 M222 N347 Y348 F352	Y201-D219 HydrophobicContact CD1-CB 3.98Å; Y201-D219 HydrophobicContact CG-CB 4.34Å; Y201-D219 PolarHBondContact N-O 2.89Å; Y201-D219 PolarHBondContact O-N 3.18Å; F203-D219 HydrophobicContact CE1-CB 4.45Å; D219-M222 HydrophobicContact CB-CE 3.98Å; D219-M222 WeakPolarHBondContact OD2-CE 3.36Å; D219-N347 VanDerWaalsContact OD1-CB 3.22Å; D219-N347 WeakPolarHBondContact OD1-CB 3.39Å; D219-N347 PolarHBondContact OD1-ND2 3.41Å; D219-N347 PolarHBondContact OD2-ND2 3.22Å; D219-Y348 HydrophobicContact CB-CD2 4.17Å; D219-Y348 HydrophobicContact CB-CE2 4.45Å; D219-F352 WeakPolarHBondContact O-CZ 3.47Å
220	Q	93	Very high	92.7	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.023	16%	0.155	C	C	.	.			trans	-63.7	160.2	167.4	69.4	179.5	17.9	0	0	111.4	Y201 M222 D288 Y348 Y351	Y201-Q220 VanDerWaalsContact CB-O 3.24Å; Y201-Q220 WeakPolarHBondContact CB-O 3.49Å; Q220-M222 HydrophobicContact CG-CE 4.28Å; Q220-M222 HydrophobicContact CG-SD 4.32Å; Q220-M222 WeakPolarHBondContact O-CG 3.49Å; Q220-M222 PolarHBondContact O-N 2.71Å; Q220-D288 PolarHBondContact NE2-O 3.01Å; Q220-Y348 HydrophobicContact CB-CD2 4.21Å; Q220-Y348 HydrophobicContact CB-CG 4.01Å; Q220-Y348 HydrophobicContact CG-CD1 4Å; Q220-Y348 HydrophobicContact CG-CD2 3.72Å; Q220-Y348 HydrophobicContact CG-CE1 4.31Å; Q220-Y348 HydrophobicContact CG-CE2 4.06Å; Q220-Y348 HydrophobicContact CG-CG 3.68Å; Q220-Y351 VanDerWaalsContact CA-CD1 3.43Å; Q220-Y351 HydrophobicContact CB-CD1 3.36Å; Q220-Y351 HydrophobicContact CB-CD2 3.96Å; Q220-Y351 HydrophobicContact CB-CE1 3.78Å; Q220-Y351 HydrophobicContact CB-CE2 4.34Å; Q220-Y351 HydrophobicContact CB-CG 3.42Å; Q220-Y351 VanDerWaalsContact CB-CG 3.42Å
221	Q	92.4	Very high	92.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.144	C	C	.	.			trans	-59.6	117.7	173.8	-176.1	173.8	-33.1	0	0	111.1	S223 F224 Y370	Q221-S223 PolarHBondContact NE2-O 3.07Å; Q221-F224 HydrophobicContact CB-CE1 4.18Å; Q221-F224 HydrophobicContact CB-CZ 4.45Å; Q221-F224 HydrophobicContact CG-CD1 4.45Å; Q221-F224 HydrophobicContact CG-CE1 3.98Å; Q221-F224 HydrophobicContact CG-CZ 4.46Å; Q221-F224 WeakPolarHBondContact O-CZ 3.38Å; Q221-Y370 PolarHBondContact NE2-OH 3.24Å; Q221-Y370 PolarHBondContact OE1-OH 3.42Å
222	M	86.4	Confident	92.2	Very high	68 Å²	68	28 Å²	28	34%	0.335	15%	0.146	S	C	.	.			trans	-89.5	-13.4	-176.2	-66.6	-62.7	-174.5	0	0	114.5	Y201 D219 Q220 L290 Y348	Y201-M222 HydrophobicContact CD1-CG 4.28Å; Y201-M222 HydrophobicContact CD2-CB 4.16Å; Y201-M222 HydrophobicContact CD2-CG 4.16Å; Y201-M222 HydrophobicContact CE2-CB 4.34Å; Y201-M222 HydrophobicContact CG-CG 4.08Å; D219-M222 HydrophobicContact CB-CE 3.98Å; D219-M222 WeakPolarHBondContact OD2-CE 3.36Å; Q220-M222 HydrophobicContact CG-CE 4.28Å; Q220-M222 HydrophobicContact CG-SD 4.32Å; Q220-M222 WeakPolarHBondContact O-CG 3.49Å; Q220-M222 PolarHBondContact O-N 2.71Å; M222-L290 HydrophobicContact SD-CD2 4.02Å; M222-Y348 HydrophobicContact CE-CD2 4.2Å; M222-Y348 HydrophobicContact CE-CE2 3.35Å
223	S	89.1	Confident	91.9	Very high	45 Å²	45	28.2 Å²	28.2	32%	0.315	15%	0.147	S	C	.	.			trans	-134.9	133.3	-175.5	76.8	0	0	0	0	113.2	Q221 R374	Q221-S223 PolarHBondContact NE2-O 3.07Å; S223-R374 VanDerWaalsContact C-NH2 3.34Å; S223-R374 PolarHBondContact O-NH2 3.35Å; S223-R374 PolarHBondContact OG-NH2 3.47Å
224	F	92.4	Very high	91.6	Very high	41 Å²	41	28.1 Å²	28.1	18%	0.18	15%	0.146	C	C	.	.			trans	-121.1	175	-178.9	-51.5	-77.3	0	0	0	111.8	Q221 Y232 E280 I283 V284 T287 R374	Q221-F224 HydrophobicContact CB-CE1 4.18Å; Q221-F224 HydrophobicContact CB-CZ 4.45Å; Q221-F224 HydrophobicContact CG-CD1 4.45Å; Q221-F224 HydrophobicContact CG-CE1 3.98Å; Q221-F224 HydrophobicContact CG-CZ 4.46Å; Q221-F224 WeakPolarHBondContact O-CZ 3.38Å; F224-Y232 HydrophobicContact CB-CE2 4.08Å; F224-Y232 WeakPolarHBondContact CB-OH 3.49Å; F224-E280 HydrophobicContact CD1-CG 4.43Å; F224-I283 HydrophobicContact CE1-CG2 4.15Å; F224-V284 HydrophobicContact CB-CG2 4.34Å; F224-V284 HydrophobicContact CD1-CG2 3.34Å; F224-V284 HydrophobicContact CD2-CG2 4.1Å; F224-V284 HydrophobicContact CE1-CG2 3.54Å; F224-V284 HydrophobicContact CE2-CG2 4.26Å; F224-V284 HydrophobicContact CG-CG2 3.65Å; F224-V284 HydrophobicContact CZ-CG2 4Å; F224-T287 HydrophobicContact CE1-CG2 4.22Å; F224-T287 HydrophobicContact CZ-CG2 3.6Å; F224-R374 VanDerWaalsContact C-NH1 3.27Å; F224-R374 VanDerWaalsContact CA-NH2 3.33Å; F224-R374 PolarHBondContact O-NH1 3.29Å; F224-R374 PolarHBondContact O-NH2 3.49Å
225	G	92.1	Very high	91.1	Very high	6 Å²	6	34.8 Å²	34.8	6%	0.062	18%	0.175	C	C	.	.	S	Bend	trans	-70.2	-38.7	177.4	0	0	0	0	0	113.4	Y232 Y245 E280 F394	G225-Y232 PolarHBondContact N-OH 3.23Å; G225-Y245 WeakPolarHBondContact CA-OH 3.44Å; G225-E280 PolarHBondContact N-OE1 2.97Å; G225-F394 WeakPolarHBondContact O-CZ 3.39Å
226	L	92.1	Very high	90.7	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-94.7	160.1	169.7	-59.5	169.7	0	0	0	110.1	S228 Y231 Y232 A241 Y245 F394	L226-S228 PolarHBondContact O-N 3.04Å; L226-Y231 HydrophobicContact CB-CG 4.26Å; L226-Y232 HydrophobicContact CB-CD2 4.35Å; L226-Y232 HydrophobicContact CB-CE2 3.64Å; L226-Y232 HydrophobicContact CD1-CD1 4.21Å; L226-Y232 HydrophobicContact CD1-CD2 4.44Å; L226-Y232 HydrophobicContact CD1-CE1 3.99Å; L226-Y232 HydrophobicContact CD1-CE2 4.24Å; L226-Y232 HydrophobicContact CD1-CG 4.41Å; L226-Y232 HydrophobicContact CG-CE1 4.45Å; L226-Y232 HydrophobicContact CG-CE2 4.34Å; L226-Y232 PolarHBondContact N-OH 3.36Å; L226-A241 HydrophobicContact CD2-CB 4.37Å; L226-Y245 HydrophobicContact CD1-CD1 4.42Å; L226-Y245 HydrophobicContact CD2-CD1 4.42Å; L226-Y245 HydrophobicContact CD2-CG 4.03Å; L226-Y245 HydrophobicContact CG-CD1 4.16Å; L226-Y245 HydrophobicContact CG-CG 4.24Å; L226-F394 HydrophobicContact CD2-CE2 3.82Å; L226-F394 HydrophobicContact CD2-CZ 3.99Å
227	L	85.5	Confident	89.9	Confident	64 Å²	64	44.1 Å²	44.1	34%	0.335	23%	0.232	S	C	.	.	S	Bend	trans	-72	-27.1	-164.7	-61.1	176.2	0	0	0	114.2	Y231 L398 I704 M708	L227-Y231 HydrophobicContact CB-CD2 4.32Å; L227-Y231 HydrophobicContact CB-CE2 4.01Å; L227-L398 HydrophobicContact CD1-CB 4.3Å; L227-L398 HydrophobicContact CD1-CD1 4.21Å; L227-L398 HydrophobicContact CD1-CD2 4.16Å; L227-L398 HydrophobicContact CD1-CG 4.48Å; L227-L398 HydrophobicContact CD2-CD1 4.2Å; L227-L398 HydrophobicContact CG-CD1 4.05Å; L227-L398 HydrophobicContact CG-CD2 4.34Å; L227-I704 HydrophobicContact CD1-CD1 3.33Å; L227-I704 HydrophobicContact CD1-CG1 3.55Å; L227-I704 HydrophobicContact CD1-CG2 4.2Å; L227-M708 WeakPolarHBondContact O-CE 3.48Å
228	S	83.4	Confident	89.5	Confident	12 Å²	12	45.7 Å²	45.7	8%	0.084	24%	0.239	C	C	.	.	S	Bend	trans	-155.3	166.8	-178.9	87.3	0	0	0	0	112	L226 D230 Y231 Y232 M708	L226-S228 PolarHBondContact O-N 3.04Å; S228-D230 PolarHBondContact O-N 3.08Å; S228-D230 PolarHBondContact OG-N 3.34Å; S228-Y231 WeakPolarHBondContact O-CB 3.27Å; S228-Y231 PolarHBondContact O-N 3.39Å; S228-Y231 VanDerWaalsContact O-N 3.13Å; S228-Y231 WeakPolarHBondContact OG-CD2 3.48Å; S228-Y232 WeakPolarHBondContact O-CD2 3.31Å; S228-M708 WeakPolarHBondContact CB-SD 3.49Å
229	R	86.3	Confident	89.3	Confident	112 Å²	112	46.5 Å²	46.5	42%	0.423	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-54.1	-36.4	174.7	-180	168.5	-174.5	136.4	-6	113	Y231 Y232 V284 S285 T287	R229-Y231 PolarHBondContact O-N 3.4Å; R229-Y232 PolarHBondContact O-N 3.12Å; R229-Y232 VanDerWaalsContact O-N 3.16Å; R229-V284 HydrophobicContact CB-CG1 3.93Å; R229-V284 HydrophobicContact CG-CG1 3.69Å; R229-V284 PolarHBondContact NH1-O 3.13Å; R229-S285 PolarHBondContact NH1-O 3.5Å; R229-S285 PolarHBondContact NH2-O 3.28Å; R229-T287 PolarHBondContact NH1-O 2.83Å
230	D	84.4	Confident	89.2	Confident	57 Å²	57	51.7 Å²	51.7	31%	0.305	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.1	-32.4	-178.8	-70.3	-14.2	0	0	0	112.3	S228 Y232 T233 F238 K707	S228-D230 PolarHBondContact O-N 3.08Å; S228-D230 PolarHBondContact OG-N 3.34Å; D230-Y232 VanDerWaalsContact C-N 3.25Å; D230-Y232 PolarHBondContact O-N 2.99Å; D230-T233 WeakPolarHBondContact O-CB 3.31Å; D230-T233 WeakPolarHBondContact O-CG2 3.18Å; D230-T233 PolarHBondContact O-N 2.96Å; D230-T233 PolarHBondContact O-OG1 3.24Å; D230-F238 HydrophobicContact CB-CE1 4.5Å; D230-F238 HydrophobicContact CB-CE2 4Å; D230-F238 HydrophobicContact CB-CZ 3.82Å; D230-F238 WeakPolarHBondContact O-CD2 3.47Å; D230-K707 WeakPolarHBondContact OD2-CE 3.47Å; D230-K707 IonicContact OD2-NZ 2.81Å; D230-K707 PolarHBondContact OD2-NZ 2.94Å
231	Y	89.3	Confident	89.2	Confident	18 Å²	18	51.7 Å²	51.7	7%	0.071	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.8	-31.5	179.8	-81	-104.6	0	0	0	112.4	L226 L227 S228 R229 T233 C234 F238 A241 C242 L398 I704	L226-Y231 HydrophobicContact CB-CG 4.26Å; L227-Y231 HydrophobicContact CB-CD2 4.32Å; L227-Y231 HydrophobicContact CB-CE2 4.01Å; S228-Y231 WeakPolarHBondContact O-CB 3.27Å; S228-Y231 PolarHBondContact O-N 3.39Å; S228-Y231 VanDerWaalsContact O-N 3.13Å; S228-Y231 WeakPolarHBondContact OG-CD2 3.48Å; R229-Y231 PolarHBondContact O-N 3.4Å; Y231-T233 PolarHBondContact O-N 2.54Å; Y231-T233 VanDerWaalsContact O-N 3.13Å; Y231-C234 PolarHBondContact O-N 3.18Å; Y231-F238 AromaticContact CD1-CD1 3.79Å; Y231-F238 HydrophobicContact CD1-CD1 3.79Å; Y231-F238 AromaticContact CD2-CD1 4Å; Y231-F238 HydrophobicContact CD2-CD1 4Å; Y231-F238 AromaticContact CD2-CE1 3.99Å; Y231-F238 HydrophobicContact CD2-CE1 3.99Å; Y231-F238 AromaticContact CE1-CD1 3.93Å; Y231-F238 HydrophobicContact CE1-CD1 3.93Å; Y231-F238 HydrophobicContact CE1-CE1 4.44Å; Y231-F238 HydrophobicContact CE2-CD1 4.13Å; Y231-F238 AromaticContact CE2-CE1 3.9Å; Y231-F238 HydrophobicContact CE2-CE1 3.9Å; Y231-F238 AromaticContact CG-CD1 3.82Å; Y231-F238 HydrophobicContact CG-CD1 3.82Å; Y231-F238 HydrophobicContact CG-CE1 4.29Å; Y231-A241 HydrophobicContact CD1-CB 3.61Å; Y231-A241 HydrophobicContact CE1-CB 3.73Å; Y231-C242 PolarHBondContact O-SG 3.16Å; Y231-L398 HydrophobicContact CD1-CD2 4.35Å; Y231-L398 HydrophobicContact CE1-CD2 3.81Å; Y231-I704 WeakPolarHBondContact OH-CG1 3.41Å
232	Y	91.4	Very high	89.3	Confident	10 Å²	10	51.9 Å²	51.9	4%	0.039	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-72.7	-3.4	-177.3	-71	-89.1	0	0	0	113.9	F224 G225 L226 S228 R229 D230 C234 E280 R281 V284	F224-Y232 HydrophobicContact CB-CE2 4.08Å; F224-Y232 WeakPolarHBondContact CB-OH 3.49Å; G225-Y232 PolarHBondContact N-OH 3.23Å; L226-Y232 HydrophobicContact CB-CD2 4.35Å; L226-Y232 HydrophobicContact CB-CE2 3.64Å; L226-Y232 HydrophobicContact CD1-CD1 4.21Å; L226-Y232 HydrophobicContact CD1-CD2 4.44Å; L226-Y232 HydrophobicContact CD1-CE1 3.99Å; L226-Y232 HydrophobicContact CD1-CE2 4.24Å; L226-Y232 HydrophobicContact CD1-CG 4.41Å; L226-Y232 HydrophobicContact CG-CE1 4.45Å; L226-Y232 HydrophobicContact CG-CE2 4.34Å; L226-Y232 PolarHBondContact N-OH 3.36Å; S228-Y232 WeakPolarHBondContact O-CD2 3.31Å; R229-Y232 PolarHBondContact O-N 3.12Å; R229-Y232 VanDerWaalsContact O-N 3.16Å; D230-Y232 VanDerWaalsContact C-N 3.25Å; D230-Y232 PolarHBondContact O-N 2.99Å; Y232-C234 PolarHBondContact O-N 3.46Å; Y232-E280 HydrophobicContact CE1-CB 4.16Å; Y232-E280 HydrophobicContact CE1-CG 3.73Å; Y232-E280 WeakPolarHBondContact CE1-OE2 3.46Å; Y232-E280 PolarHBondContact OH-OE1 2.91Å; Y232-E280 PolarHBondContact OH-OE2 3.01Å; Y232-R281 HydrophobicContact CD1-CB 4.28Å; Y232-R281 PolarHBondContact O-NE 3.38Å; Y232-V284 HydrophobicContact CD1-CG2 4.42Å; Y232-V284 HydrophobicContact CD2-CB 4.29Å; Y232-V284 HydrophobicContact CD2-CG1 3.83Å; Y232-V284 HydrophobicContact CD2-CG2 3.88Å; Y232-V284 HydrophobicContact CE1-CG2 4.26Å; Y232-V284 HydrophobicContact CE2-CG1 4.41Å; Y232-V284 HydrophobicContact CE2-CG2 3.69Å; Y232-V284 HydrophobicContact CG-CB 4.39Å; Y232-V284 HydrophobicContact CG-CG1 4.15Å; Y232-V284 HydrophobicContact CG-CG2 4.25Å
233	T	89.8	Confident	89.7	Confident	76 Å²	76	56 Å²	56	47%	0.466	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.8	-26.3	165.6	62.5	0	0	0	0	112.3	D230 Y231 K235 F238	D230-T233 WeakPolarHBondContact O-CB 3.31Å; D230-T233 WeakPolarHBondContact O-CG2 3.18Å; D230-T233 PolarHBondContact O-N 2.96Å; D230-T233 PolarHBondContact O-OG1 3.24Å; Y231-T233 PolarHBondContact O-N 2.54Å; Y231-T233 VanDerWaalsContact O-N 3.13Å; T233-K235 WeakPolarHBondContact O-CG 3.48Å; T233-K235 PolarHBondContact O-N 2.94Å; T233-F238 WeakPolarHBondContact OG1-CD2 3.42Å
234	C	91.3	Very high	90.1	Very high	31 Å²	31	54.6 Å²	54.6	21%	0.209	28%	0.275	C	S	.	.			trans	48.3	27.4	-179.3	-58.5	0	0	0	0	114.7	Y231 Y232 A239 C242	Y231-C234 PolarHBondContact O-N 3.18Å; Y232-C234 PolarHBondContact O-N 3.46Å; C234-A239 WeakPolarHBondContact O-CB 3.16Å; C234-C242 WeakPolarHBondContact CA-SG 3.34Å; C234-C242 HydrophobicContact CB-CB 3.69Å; C234-C242 WeakPolarHBondContact CB-SG 3.44Å; C234-C242 WeakPolarHBondContact SG-CB 3.49Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 2.91Å
235	K	89.6	Confident	90.3	Very high	162 Å²	162	52.7 Å²	52.7	70%	0.704	27%	0.266	S	S	*	.			trans	-117.7	157.9	-178.7	-75.1	172.4	-173.8	-177.5	0	110.6	T233 R237 F238	T233-K235 WeakPolarHBondContact O-CG 3.48Å; T233-K235 PolarHBondContact O-N 2.94Å; K235-R237 PolarHBondContact O-N 2.77Å; K235-R237 VanDerWaalsContact O-N 3.16Å; K235-F238 PolarHBondContact O-N 3.01Å
236	G	88.4	Confident	90.6	Very high	73 Å²	73	55.6 Å²	55.6	75%	0.753	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	51	-121.5	178	0	0	0	0	0	111.7	F238 A239	G236-F238 PolarHBondContact O-N 3.28Å; G236-A239 PolarHBondContact O-N 3.32Å
237	R	82.8	Confident	90.8	Very high	130 Å²	130	60.6 Å²	60.6	49%	0.491	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.6	-16.9	-177.6	70.7	-178.5	74.4	-171.3	4.2	115.1	K235 L636 L703	K235-R237 PolarHBondContact O-N 2.77Å; K235-R237 VanDerWaalsContact O-N 3.16Å; R237-L636 VanDerWaalsContact NH1-CD1 3.33Å; R237-L703 VanDerWaalsContact NH1-CD2 3.26Å
238	F	88.7	Confident	91.4	Very high	36 Å²	36	57.7 Å²	57.7	16%	0.158	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-96	-10.8	-178.3	-55.9	-61.5	0	0	0	113.6	D230 Y231 T233 K235 G236 E240 A241 C242	D230-F238 HydrophobicContact CB-CE1 4.5Å; D230-F238 HydrophobicContact CB-CE2 4Å; D230-F238 HydrophobicContact CB-CZ 3.82Å; D230-F238 WeakPolarHBondContact O-CD2 3.47Å; Y231-F238 AromaticContact CD1-CD1 3.79Å; Y231-F238 HydrophobicContact CD1-CD1 3.79Å; Y231-F238 AromaticContact CD2-CD1 4Å; Y231-F238 HydrophobicContact CD2-CD1 4Å; Y231-F238 AromaticContact CD2-CE1 3.99Å; Y231-F238 HydrophobicContact CD2-CE1 3.99Å; Y231-F238 AromaticContact CE1-CD1 3.93Å; Y231-F238 HydrophobicContact CE1-CD1 3.93Å; Y231-F238 HydrophobicContact CE1-CE1 4.44Å; Y231-F238 HydrophobicContact CE2-CD1 4.13Å; Y231-F238 AromaticContact CE2-CE1 3.9Å; Y231-F238 HydrophobicContact CE2-CE1 3.9Å; Y231-F238 AromaticContact CG-CD1 3.82Å; Y231-F238 HydrophobicContact CG-CD1 3.82Å; Y231-F238 HydrophobicContact CG-CE1 4.29Å; T233-F238 WeakPolarHBondContact OG1-CD2 3.42Å; K235-F238 PolarHBondContact O-N 3.01Å; G236-F238 PolarHBondContact O-N 3.28Å; F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 3.46Å; F238-A241 PolarHBondContact O-N 3.06Å; F238-C242 PolarHBondContact O-N 3.43Å
239	A	92.3	Very high	92.1	Very high	17 Å²	17	57.1 Å²	57.1	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-37.4	-175.1	0	0	0	0	0	112.9	C234 G236 R243	C234-A239 WeakPolarHBondContact O-CB 3.16Å; G236-A239 PolarHBondContact O-N 3.32Å; A239-R243 WeakPolarHBondContact O-CG 3.22Å; A239-R243 PolarHBondContact O-N 3.45Å; A239-R243 VanDerWaalsContact O-N 3.14Å
240	E	92.2	Very high	92.7	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-67.6	-40.1	178.5	-164.6	-178	171.4	0	0	112.2	F238 R243 A244 V397	F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 3.46Å; E240-R243 PolarHBondContact O-N 3.41Å; E240-A244 WeakPolarHBondContact O-CB 3.45Å; E240-A244 PolarHBondContact O-N 2.69Å; E240-V397 HydrophobicContact CB-CG1 4.18Å; E240-V397 HydrophobicContact CG-CG1 3.76Å; E240-V397 HydrophobicContact CG-CG2 4.45Å
241	A	92.5	Very high	93.4	Very high	5 Å²	5	52 Å²	52	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-41.3	177.5	0	0	0	0	0	112.1	L226 Y231 F238 A244 Y245 V397 L398	L226-A241 HydrophobicContact CD2-CB 4.37Å; Y231-A241 HydrophobicContact CD1-CB 3.61Å; Y231-A241 HydrophobicContact CE1-CB 3.73Å; F238-A241 PolarHBondContact O-N 3.06Å; A241-A244 PolarHBondContact O-N 2.86Å; A241-Y245 WeakPolarHBondContact O-CB 3.38Å; A241-Y245 PolarHBondContact O-N 3.03Å; A241-V397 HydrophobicContact CB-CG1 4.44Å; A241-L398 HydrophobicContact CB-CD2 3.77Å
242	C	94.6	Very high	93.8	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-46.4	175	-65.1	0	0	0	0	112.2	Y231 C234 F238 A244 Y245 E246	Y231-C242 PolarHBondContact O-SG 3.16Å; C234-C242 WeakPolarHBondContact CA-SG 3.34Å; C234-C242 HydrophobicContact CB-CB 3.69Å; C234-C242 WeakPolarHBondContact CB-SG 3.44Å; C234-C242 WeakPolarHBondContact SG-CB 3.49Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 2.91Å; F238-C242 PolarHBondContact O-N 3.43Å; C242-A244 VanDerWaalsContact C-N 3.27Å; C242-A244 PolarHBondContact O-N 2.72Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.41Å; C242-Y245 VanDerWaalsContact O-N 3.1Å; C242-E246 PolarHBondContact O-N 2.89Å
243	R	96.3	Very high	94.1	Very high	155 Å²	155	50.6 Å²	50.6	59%	0.585	26%	0.255	S	S	*	.	H	α-helix	trans	-59.4	-39.8	175.9	-73.5	-171.3	-64.8	-102.1	2.1	112.1	A239 E240 Y245 K247	A239-R243 WeakPolarHBondContact O-CG 3.22Å; A239-R243 PolarHBondContact O-N 3.45Å; A239-R243 VanDerWaalsContact O-N 3.14Å; E240-R243 PolarHBondContact O-N 3.41Å; R243-Y245 VanDerWaalsContact C-N 3.33Å; R243-K247 WeakPolarHBondContact O-CB 3.43Å; R243-K247 PolarHBondContact O-N 3.17Å
244	A	96.4	Very high	94.5	Very high	15 Å²	15	50.2 Å²	50.2	12%	0.124	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-34	177.4	0	0	0	0	0	112.3	E240 A241 C242 F248 F394 V397	E240-A244 WeakPolarHBondContact O-CB 3.45Å; E240-A244 PolarHBondContact O-N 2.69Å; A241-A244 PolarHBondContact O-N 2.86Å; C242-A244 VanDerWaalsContact C-N 3.27Å; C242-A244 PolarHBondContact O-N 2.72Å; A244-F248 WeakPolarHBondContact O-CB 3.21Å; A244-F248 PolarHBondContact O-N 3.2Å; A244-F394 HydrophobicContact CB-CD2 3.93Å; A244-V397 HydrophobicContact CB-CB 4.01Å; A244-V397 HydrophobicContact CB-CG1 4.09Å; A244-V397 HydrophobicContact CB-CG2 3.92Å
245	Y	97.4	Very high	94.8	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-47.7	176.2	-177.9	-124	0	0	0	112.4	G225 L226 A241 C242 R243 K247 F248 M249 V277 E280 W373 M377 F394	G225-Y245 WeakPolarHBondContact CA-OH 3.44Å; L226-Y245 HydrophobicContact CD1-CD1 4.42Å; L226-Y245 HydrophobicContact CD2-CD1 4.42Å; L226-Y245 HydrophobicContact CD2-CG 4.03Å; L226-Y245 HydrophobicContact CG-CD1 4.16Å; L226-Y245 HydrophobicContact CG-CG 4.24Å; A241-Y245 WeakPolarHBondContact O-CB 3.38Å; A241-Y245 PolarHBondContact O-N 3.03Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.41Å; C242-Y245 VanDerWaalsContact O-N 3.1Å; R243-Y245 VanDerWaalsContact C-N 3.33Å; Y245-K247 VanDerWaalsContact C-N 3.32Å; Y245-K247 PolarHBondContact O-N 3.11Å; Y245-F248 PolarHBondContact O-N 3.07Å; Y245-M249 PolarHBondContact O-N 3.25Å; Y245-M249 VanDerWaalsContact O-N 3.13Å; Y245-V277 HydrophobicContact CD1-CG2 4.18Å; Y245-V277 HydrophobicContact CE1-CG2 4.18Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.47Å; Y245-E280 VanDerWaalsContact OH-CD 3.32Å; Y245-E280 PolarHBondContact OH-OE1 2.97Å; Y245-E280 PolarHBondContact OH-OE2 2.98Å; Y245-W373 HydrophobicContact CD2-CZ2 4.01Å; Y245-W373 AromaticContact CE2-CE2 3.73Å; Y245-W373 AromaticContact CE2-CZ2 3.54Å; Y245-W373 HydrophobicContact CE2-CZ2 3.54Å; Y245-W373 AromaticContact CE2-NE1 3.33Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.33Å; Y245-W373 AromaticContact CZ-NE1 3.2Å; Y245-W373 PolarHBondContact OH-NE1 3.35Å; Y245-M377 HydrophobicContact CE2-CE 4.07Å; Y245-M377 HydrophobicContact CE2-SD 4.27Å; Y245-F394 HydrophobicContact CD2-CE1 4.38Å; Y245-F394 HydrophobicContact CD2-CE2 4.06Å; Y245-F394 AromaticContact CD2-CZ 3.84Å; Y245-F394 HydrophobicContact CD2-CZ 3.84Å; Y245-F394 HydrophobicContact CG-CE2 4.3Å; Y245-F394 HydrophobicContact CG-CZ 4.44Å
246	E	97.6	Very high	95.2	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-59	-44.8	172.9	-71.7	169.2	-157	0	0	111.2	C242 F248 M249 F250 V273 V277	C242-E246 PolarHBondContact O-N 2.89Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 3.05Å; E246-M249 PolarHBondContact O-N 2.86Å; E246-F250 WeakPolarHBondContact O-CB 3.36Å; E246-F250 PolarHBondContact O-N 3.15Å; E246-V273 HydrophobicContact CB-CG1 3.91Å; E246-V273 HydrophobicContact CG-CG1 4.09Å; E246-V277 HydrophobicContact CG-CG2 3.75Å
247	K	97.7	Very high	95.6	Very high	110 Å²	110	40.2 Å²	40.2	48%	0.478	18%	0.18	S	C	.	.	H	α-helix	trans	-61.2	-41.3	177.3	177.9	163.9	176.1	47	0	112.3	R243 Y245 F250 D251	R243-K247 WeakPolarHBondContact O-CB 3.43Å; R243-K247 PolarHBondContact O-N 3.17Å; Y245-K247 VanDerWaalsContact C-N 3.32Å; Y245-K247 PolarHBondContact O-N 3.11Å; K247-F250 PolarHBondContact O-N 3.03Å; K247-D251 VanDerWaalsContact CE-OD2 3.3Å; K247-D251 WeakPolarHBondContact CE-OD2 3.39Å; K247-D251 WeakPolarHBondContact CG-OD2 3.47Å; K247-D251 IonicContact NZ-OD1 3.35Å; K247-D251 PolarHBondContact NZ-OD1 3.25Å; K247-D251 IonicContact NZ-OD2 2.74Å; K247-D251 PolarHBondContact NZ-OD2 3.3Å; K247-D251 WeakPolarHBondContact O-CB 3.41Å; K247-D251 PolarHBondContact O-N 2.88Å
248	F	97.9	Very high	96.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-46.2	177.5	174.3	-155.2	0	0	0	111	A244 Y245 E246 D251 L252 W373 M377 V380 T390 R391 F394	A244-F248 WeakPolarHBondContact O-CB 3.21Å; A244-F248 PolarHBondContact O-N 3.2Å; Y245-F248 PolarHBondContact O-N 3.07Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 3.05Å; F248-D251 PolarHBondContact O-N 2.98Å; F248-L252 HydrophobicContact CE2-CB 4.49Å; F248-L252 HydrophobicContact CE2-CD2 4.34Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3.43Å; F248-W373 HydrophobicContact CB-CH2 4.2Å; F248-W373 AromaticContact CD1-CH2 3.43Å; F248-W373 HydrophobicContact CD1-CH2 3.43Å; F248-W373 VanDerWaalsContact CD1-CH2 3.43Å; F248-W373 AromaticContact CD1-CZ2 3.85Å; F248-W373 HydrophobicContact CD1-CZ2 3.85Å; F248-W373 AromaticContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CZ3 4.49Å; F248-W373 AromaticContact CE1-CH2 3.6Å; F248-W373 HydrophobicContact CE1-CH2 3.6Å; F248-W373 HydrophobicContact CE1-CZ2 4.1Å; F248-W373 HydrophobicContact CE1-CZ3 4.47Å; F248-W373 HydrophobicContact CE2-CH2 4.02Å; F248-W373 HydrophobicContact CE2-CZ3 4.36Å; F248-W373 AromaticContact CG-CH2 3.58Å; F248-W373 HydrophobicContact CG-CH2 3.58Å; F248-W373 HydrophobicContact CG-CZ2 4.32Å; F248-W373 AromaticContact CZ-CH2 3.87Å; F248-W373 HydrophobicContact CZ-CH2 3.87Å; F248-W373 HydrophobicContact CZ-CZ3 4.35Å; F248-M377 HydrophobicContact CE1-CB 3.73Å; F248-M377 HydrophobicContact CE1-CE 4.31Å; F248-M377 HydrophobicContact CZ-CB 3.83Å; F248-V380 HydrophobicContact CE2-CG2 4.39Å; F248-V380 HydrophobicContact CZ-CG2 4.01Å; F248-T390 VanDerWaalsContact CD2-C 3.47Å; F248-T390 VanDerWaalsContact CD2-O 3.27Å; F248-T390 WeakPolarHBondContact CD2-O 3.49Å; F248-T390 VanDerWaalsContact CE2-OG1 3.27Å; F248-T390 WeakPolarHBondContact CE2-OG1 3.15Å; F248-R391 HydrophobicContact CE1-CB 4.14Å; F248-R391 HydrophobicContact CE1-CG 4.12Å; F248-R391 HydrophobicContact CE2-CB 3.87Å; F248-R391 HydrophobicContact CZ-CB 3.64Å; F248-R391 HydrophobicContact CZ-CG 4.03Å; F248-F394 HydrophobicContact CB-CB 4.08Å; F248-F394 HydrophobicContact CD1-CB 4.08Å; F248-F394 AromaticContact CD1-CD1 3.81Å; F248-F394 HydrophobicContact CD1-CD1 3.81Å; F248-F394 HydrophobicContact CD1-CG 4.09Å; F248-F394 HydrophobicContact CE1-CD1 4.28Å; F248-F394 HydrophobicContact CG-CB 4.28Å
249	M	98.4	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-46.8	176.9	-165.9	-170.7	-58.2	0	0	111.9	W166 M168 Y245 E246 L252 A253 V273 V276 V277 W373	W166-M249 HydrophobicContact CH2-CG 4.26Å; W166-M249 HydrophobicContact CZ2-CG 3.98Å; M168-M249 HydrophobicContact CE-CG 4.48Å; M168-M249 HydrophobicContact CE-SD 3.99Å; M168-M249 HydrophobicContact SD-CG 4.25Å; M168-M249 HydrophobicContact SD-SD 4.46Å; Y245-M249 PolarHBondContact O-N 3.25Å; Y245-M249 VanDerWaalsContact O-N 3.13Å; E246-M249 PolarHBondContact O-N 2.86Å; M249-L252 PolarHBondContact O-N 3.24Å; M249-A253 WeakPolarHBondContact O-CB 3.21Å; M249-A253 PolarHBondContact O-N 2.88Å; M249-V273 HydrophobicContact CB-CG1 4.31Å; M249-V273 HydrophobicContact CB-CG2 4.1Å; M249-V273 HydrophobicContact CG-CG2 3.91Å; M249-V273 HydrophobicContact SD-CB 4.03Å; M249-V273 HydrophobicContact SD-CG1 3.98Å; M249-V273 HydrophobicContact SD-CG2 3.74Å; M249-V276 HydrophobicContact CE-CB 3.85Å; M249-V276 HydrophobicContact CE-CG1 3.37Å; M249-V276 HydrophobicContact SD-CB 3.83Å; M249-V276 HydrophobicContact SD-CG1 3.87Å; M249-V276 HydrophobicContact SD-CG2 4.19Å; M249-V277 HydrophobicContact CE-CG2 4.26Å; M249-W373 VanDerWaalsContact CA-CH2 3.42Å; M249-W373 VanDerWaalsContact CA-CZ3 3.46Å; M249-W373 HydrophobicContact CB-CD2 4.22Å; M249-W373 HydrophobicContact CB-CE3 4.09Å; M249-W373 HydrophobicContact CB-CH2 3.71Å; M249-W373 HydrophobicContact CB-CZ2 3.86Å; M249-W373 HydrophobicContact CB-CZ3 3.86Å; M249-W373 HydrophobicContact CE-CD2 3.85Å; M249-W373 HydrophobicContact CE-CG 3.74Å; M249-W373 HydrophobicContact CE-CZ2 4.3Å; M249-W373 HydrophobicContact CG-CD2 3.73Å; M249-W373 HydrophobicContact CG-CE3 3.66Å; M249-W373 HydrophobicContact CG-CG 4.28Å; M249-W373 HydrophobicContact CG-CH2 4.22Å; M249-W373 HydrophobicContact CG-CZ2 4.31Å; M249-W373 HydrophobicContact CG-CZ3 3.92Å; M249-W373 HydrophobicContact SD-CD2 4.37Å; M249-W373 HydrophobicContact SD-CG 4.36Å
250	F	98.3	Very high	96.9	Very high	23 Å²	23	42.2 Å²	42.2	10%	0.101	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-50.4	177.2	173.4	-93.4	0	0	0	112.7	E246 K247 L252 A253 K254 E266 I269 K270 V273	E246-F250 WeakPolarHBondContact O-CB 3.36Å; E246-F250 PolarHBondContact O-N 3.15Å; K247-F250 PolarHBondContact O-N 3.03Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-L252 PolarHBondContact O-N 3.1Å; F250-A253 PolarHBondContact O-N 3.45Å; F250-K254 HydrophobicContact CE1-CD 4.15Å; F250-K254 HydrophobicContact CZ-CD 4.29Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 3.25Å; F250-E266 HydrophobicContact CE2-CB 4.03Å; F250-E266 HydrophobicContact CE2-CG 4.28Å; F250-E266 HydrophobicContact CZ-CB 4.04Å; F250-E266 HydrophobicContact CZ-CG 3.85Å; F250-I269 HydrophobicContact CD2-CB 4.09Å; F250-I269 HydrophobicContact CD2-CG2 3.56Å; F250-I269 HydrophobicContact CE2-CB 4.17Å; F250-I269 HydrophobicContact CE2-CG2 4.1Å; F250-I269 HydrophobicContact CG-CG2 4.4Å; F250-K270 HydrophobicContact CD2-CG 3.74Å; F250-K270 HydrophobicContact CE2-CD 4.32Å; F250-K270 HydrophobicContact CE2-CG 3.8Å; F250-V273 HydrophobicContact CB-CG2 4.25Å
251	D	97.9	Very high	97.1	Very high	38 Å²	38	40 Å²	40	20%	0.203	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-39.1	-177.4	-71.8	-18.3	0	0	0	111	K247 F248 L255 T390	K247-D251 VanDerWaalsContact CE-OD2 3.3Å; K247-D251 WeakPolarHBondContact CE-OD2 3.39Å; K247-D251 WeakPolarHBondContact CG-OD2 3.47Å; K247-D251 IonicContact NZ-OD1 3.35Å; K247-D251 PolarHBondContact NZ-OD1 3.25Å; K247-D251 IonicContact NZ-OD2 2.74Å; K247-D251 PolarHBondContact NZ-OD2 3.3Å; K247-D251 WeakPolarHBondContact O-CB 3.41Å; K247-D251 PolarHBondContact O-N 2.88Å; F248-D251 PolarHBondContact O-N 2.98Å; D251-L255 WeakPolarHBondContact O-CB 3.42Å; D251-L255 PolarHBondContact O-N 2.91Å; D251-T390 HydrophobicContact CB-CG2 4.13Å
252	L	98	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-44.8	177.8	-176.6	61	0	0	0	112	W166 F248 M249 F250 K254 L255 I256 W373 V376 V380 Y387	W166-L252 HydrophobicContact CH2-CB 4.48Å; W166-L252 HydrophobicContact CH2-CD2 4.32Å; W166-L252 HydrophobicContact CH2-CG 4.38Å; W166-L252 HydrophobicContact CZ3-CB 4.49Å; W166-L252 HydrophobicContact CZ3-CD2 4.21Å; W166-L252 HydrophobicContact CZ3-CG 4.04Å; F248-L252 HydrophobicContact CE2-CB 4.49Å; F248-L252 HydrophobicContact CE2-CD2 4.34Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 PolarHBondContact O-N 3.43Å; M249-L252 PolarHBondContact O-N 3.24Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-L252 PolarHBondContact O-N 3.1Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 2.85Å; L252-L255 PolarHBondContact O-N 3.31Å; L252-I256 HydrophobicContact CD1-CD1 4.3Å; L252-I256 HydrophobicContact CD1-CG1 4.47Å; L252-I256 HydrophobicContact CG-CD1 4.19Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 3.36Å; L252-W373 HydrophobicContact CD2-CE3 4.46Å; L252-W373 HydrophobicContact CD2-CZ3 3.86Å; L252-V376 HydrophobicContact CD2-CB 4.24Å; L252-V376 HydrophobicContact CD2-CG2 3.74Å; L252-V380 HydrophobicContact CD1-CG1 3.67Å; L252-V380 HydrophobicContact CD2-CG1 3.73Å; L252-V380 HydrophobicContact CG-CG1 4.37Å; L252-Y387 HydrophobicContact CD1-CD1 3.49Å; L252-Y387 VanDerWaalsContact CD1-CD1 3.49Å; L252-Y387 HydrophobicContact CD1-CE1 3.73Å
253	A	98.1	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-44.5	175.9	0	0	0	0	0	111.1	W166 M168 M249 F250 L255 I256 R257 I269	W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.98Å; M168-A253 HydrophobicContact CG-CB 4Å; M168-A253 HydrophobicContact SD-CB 3.79Å; M249-A253 WeakPolarHBondContact O-CB 3.21Å; M249-A253 PolarHBondContact O-N 2.88Å; F250-A253 PolarHBondContact O-N 3.45Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3Å; A253-I256 PolarHBondContact O-N 3.33Å; A253-R257 WeakPolarHBondContact O-CG 3.38Å; A253-R257 PolarHBondContact O-N 3.24Å; A253-I269 HydrophobicContact CB-CG2 3.86Å
254	K	98	Very high	97.4	Very high	67 Å²	67	45.6 Å²	45.6	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-59	-43.8	175.2	-177.1	172.6	179.8	170.5	0	111.9	F250 L252 R257 T258 I264 E266	F250-K254 HydrophobicContact CE1-CD 4.15Å; F250-K254 HydrophobicContact CZ-CD 4.29Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 3.25Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 2.85Å; K254-R257 PolarHBondContact O-N 3.31Å; K254-T258 WeakPolarHBondContact O-CB 3.34Å; K254-T258 PolarHBondContact O-N 3.49Å; K254-T258 PolarHBondContact O-OG1 2.95Å; K254-I264 HydrophobicContact CD-CG2 4.43Å; K254-I264 HydrophobicContact CG-CD1 4.11Å; K254-I264 HydrophobicContact CG-CG2 4.02Å; K254-E266 IonicContact NZ-OE1 2.76Å; K254-E266 PolarHBondContact NZ-OE1 2.97Å
255	L	97.4	Very high	97.4	Very high	35 Å²	35	46.7 Å²	46.7	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-47	178.9	-175.9	59.6	0	0	0	111.6	D251 L252 A253 R257 T258 D259 P386 Y387 T390	D251-L255 WeakPolarHBondContact O-CB 3.42Å; D251-L255 PolarHBondContact O-N 2.91Å; L252-L255 PolarHBondContact O-N 3.31Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3Å; L255-R257 PolarHBondContact O-N 3.45Å; L255-T258 WeakPolarHBondContact O-CB 3.34Å; L255-T258 PolarHBondContact O-N 3.23Å; L255-T258 VanDerWaalsContact O-N 3.14Å; L255-D259 PolarHBondContact O-N 3.2Å; L255-P386 HydrophobicContact CD2-CB 4.19Å; L255-Y387 HydrophobicContact CD2-CD1 3.95Å; L255-Y387 HydrophobicContact CD2-CD2 3.56Å; L255-Y387 HydrophobicContact CD2-CE1 4.04Å; L255-Y387 HydrophobicContact CD2-CE2 3.64Å; L255-Y387 HydrophobicContact CD2-CG 3.71Å; L255-Y387 HydrophobicContact CG-CD2 4.3Å; L255-Y387 HydrophobicContact CG-CE1 4.29Å; L255-Y387 HydrophobicContact CG-CE2 3.85Å; L255-T390 HydrophobicContact CD2-CG2 4.27Å
256	I	98.1	Very high	97.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-44.3	177.2	-70.7	172.6	0	0	0	111.6	L156 L157 W166 A169 L252 A253 T258 D259 R260 Y387	L156-I256 HydrophobicContact CD2-CD1 3.99Å; L157-I256 HydrophobicContact CD2-CB 4.35Å; L157-I256 HydrophobicContact CD2-CG1 4.19Å; L157-I256 HydrophobicContact CD2-CG2 3.56Å; W166-I256 HydrophobicContact CE3-CD1 3.82Å; W166-I256 HydrophobicContact CZ3-CD1 3.86Å; A169-I256 HydrophobicContact CB-CB 4.19Å; A169-I256 HydrophobicContact CB-CG2 3.62Å; L252-I256 HydrophobicContact CD1-CD1 4.3Å; L252-I256 HydrophobicContact CD1-CG1 4.47Å; L252-I256 HydrophobicContact CG-CD1 4.19Å; L252-I256 WeakPolarHBondContact O-CG1 3.35Å; L252-I256 PolarHBondContact O-N 3.36Å; A253-I256 PolarHBondContact O-N 3.33Å; I256-T258 VanDerWaalsContact C-N 3.27Å; I256-T258 PolarHBondContact O-N 3.07Å; I256-D259 PolarHBondContact O-N 3.44Å; I256-R260 HydrophobicContact CG2-CG 4.49Å; I256-R260 WeakPolarHBondContact O-CG 3.46Å; I256-R260 PolarHBondContact O-N 3.17Å; I256-Y387 HydrophobicContact CD1-CE1 4.47Å; I256-Y387 HydrophobicContact CG1-CE1 3.79Å
257	R	97.9	Very high	97.3	Very high	21 Å²	21	52.3 Å²	52.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-37.2	176.5	-69	-174.9	78.4	80.5	7.8	112	M168 A169 V170 D171 A253 K254 L255 R260 G261 L262 K263 I264	M168-R257 WeakPolarHBondContact O-CD 3.49Å; M168-R257 PolarHBondContact O-NH1 3.02Å; A169-R257 HydrophobicContact CB-CG 4.43Å; V170-R257 PolarHBondContact O-NH1 2.9Å; D171-R257 IonicContact OD1-CZ 3.55Å; D171-R257 IonicContact OD1-NH1 3.49Å; D171-R257 PolarHBondContact OD1-NH1 2.91Å; D171-R257 IonicContact OD1-NH2 2.71Å; D171-R257 PolarHBondContact OD1-NH2 3.27Å; D171-R257 IonicContact OD2-NH2 3.85Å; A253-R257 WeakPolarHBondContact O-CG 3.38Å; A253-R257 PolarHBondContact O-N 3.24Å; K254-R257 PolarHBondContact O-N 3.31Å; L255-R257 PolarHBondContact O-N 3.45Å; R257-R260 PolarHBondContact O-N 2.99Å; R257-G261 PolarHBondContact O-N 3.38Å; R257-G261 VanDerWaalsContact O-N 3.16Å; R257-L262 HydrophobicContact CB-CB 4.28Å; R257-L262 PolarHBondContact O-N 3.24Å; R257-K263 VanDerWaalsContact CZ-O 3.31Å; R257-K263 PolarHBondContact NE-O 3.04Å; R257-K263 PolarHBondContact NH2-O 3.09Å; R257-I264 HydrophobicContact CB-CG1 4.21Å
258	T	97.2	Very high	97.2	Very high	74 Å²	74	51.5 Å²	51.5	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-49.9	175.3	-54.7	0	0	0	0	110.8	K254 L255 I256 R260 G261 I264	K254-T258 WeakPolarHBondContact O-CB 3.34Å; K254-T258 PolarHBondContact O-N 3.49Å; K254-T258 PolarHBondContact O-OG1 2.95Å; L255-T258 WeakPolarHBondContact O-CB 3.34Å; L255-T258 PolarHBondContact O-N 3.23Å; L255-T258 VanDerWaalsContact O-N 3.14Å; I256-T258 VanDerWaalsContact C-N 3.27Å; I256-T258 PolarHBondContact O-N 3.07Å; T258-R260 PolarHBondContact O-N 2.86Å; T258-G261 PolarHBondContact O-N 2.79Å; T258-I264 VanDerWaalsContact OG1-CD1 3.29Å; T258-I264 WeakPolarHBondContact OG1-CD1 3.42Å
259	D	96.7	Very high	97.2	Very high	79 Å²	79	51.6 Å²	51.6	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-29.2	-179.9	-78.6	12.5	0	0	0	112.5	L157 L255 I256 G261 Y387	L157-D259 HydrophobicContact CD1-CB 4.13Å; L255-D259 PolarHBondContact O-N 3.2Å; I256-D259 PolarHBondContact O-N 3.44Å; D259-G261 VanDerWaalsContact C-N 3.33Å; D259-Y387 WeakPolarHBondContact OD2-CE2 3.46Å; D259-Y387 PolarHBondContact OD2-OH 3.43Å
260	R	96.4	Very high	97.2	Very high	72 Å²	72	56.5 Å²	56.5	27%	0.272	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.6	173.2	-68.4	-177.6	-177.7	-126.5	1.6	114	L157 E165 I256 R257 T258 L262	L157-R260 HydrophobicContact CD1-CG 4.21Å; L157-R260 HydrophobicContact CD2-CG 4.49Å; E165-R260 IonicContact OE1-CZ 3.73Å; E165-R260 IonicContact OE1-NH1 2.71Å; E165-R260 PolarHBondContact OE1-NH1 2.78Å; E165-R260 IonicContact OE1-NH2 3.61Å; E165-R260 PolarHBondContact OE1-NH2 2.75Å; E165-R260 IonicContact OE2-CZ 3.37Å; E165-R260 IonicContact OE2-NH1 2.77Å; E165-R260 PolarHBondContact OE2-NH1 3.25Å; E165-R260 IonicContact OE2-NH2 3.08Å; E165-R260 PolarHBondContact OE2-NH2 3.26Å; I256-R260 HydrophobicContact CG2-CG 4.49Å; I256-R260 WeakPolarHBondContact O-CG 3.46Å; I256-R260 PolarHBondContact O-N 3.17Å; R257-R260 PolarHBondContact O-N 2.99Å; T258-R260 PolarHBondContact O-N 2.86Å; R260-L262 VanDerWaalsContact C-N 3.25Å; R260-L262 HydrophobicContact CB-CD1 3.98Å; R260-L262 HydrophobicContact CB-CG 3.78Å; R260-L262 PolarHBondContact O-N 2.87Å
261	G	96.8	Very high	97.2	Very high	71 Å²	71	58.1 Å²	58.1	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	22.7	-174.4	0	0	0	0	0	114.3	R257 T258 D259	R257-G261 PolarHBondContact O-N 3.38Å; R257-G261 VanDerWaalsContact O-N 3.16Å; T258-G261 PolarHBondContact O-N 2.79Å; D259-G261 VanDerWaalsContact C-N 3.33Å
262	L	97.2	Very high	97.2	Very high	48 Å²	48	58 Å²	58	25%	0.251	32%	0.317	S	S	.	.			trans	-85.2	153.8	-179.9	-61.6	177.4	0	0	0	111.7	A169 R257 R260 I264	A169-L262 WeakPolarHBondContact O-CD1 3.47Å; R257-L262 HydrophobicContact CB-CB 4.28Å; R257-L262 PolarHBondContact O-N 3.24Å; R260-L262 VanDerWaalsContact C-N 3.25Å; R260-L262 HydrophobicContact CB-CD1 3.98Å; R260-L262 HydrophobicContact CB-CG 3.78Å; R260-L262 PolarHBondContact O-N 2.87Å; L262-I264 PolarHBondContact O-N 3.25Å
263	K	95.7	Very high	97.2	Very high	175 Å²	175	58.2 Å²	58.2	76%	0.761	32%	0.318	S	S	*	.			trans	-62.6	135.8	173.5	-174.5	-179.5	177.3	-174.1	0	110.1	R257	R257-K263 VanDerWaalsContact CZ-O 3.31Å; R257-K263 PolarHBondContact NE-O 3.04Å; R257-K263 PolarHBondContact NH2-O 3.09Å
264	I	97.1	Very high	97.2	Very high	59 Å²	59	61.5 Å²	61.5	30%	0.303	34%	0.338	S	S	.	.			trans	-101.6	112.4	178.6	-57.3	168.8	0	0	0	108.8	K254 R257 T258 L262 E266 I269	K254-I264 HydrophobicContact CD-CG2 4.43Å; K254-I264 HydrophobicContact CG-CD1 4.11Å; K254-I264 HydrophobicContact CG-CG2 4.02Å; R257-I264 HydrophobicContact CB-CG1 4.21Å; T258-I264 VanDerWaalsContact OG1-CD1 3.29Å; T258-I264 WeakPolarHBondContact OG1-CD1 3.42Å; L262-I264 PolarHBondContact O-N 3.25Å; I264-E266 HydrophobicContact CG2-CG 4.36Å; I264-I269 HydrophobicContact CG2-CD1 4.07Å
265	S	95.6	Very high	97.2	Very high	38 Å²	38	62.7 Å²	62.7	27%	0.266	34%	0.34	S	S	.	.			trans	-103.9	100.5	168.7	-177.5	0	0	0	0	108.9	T267 D268 I269	S265-T267 PolarHBondContact O-N 3.13Å; S265-D268 WeakPolarHBondContact CB-OD2 3.4Å; S265-D268 PolarHBondContact O-N 3.16Å; S265-D268 PolarHBondContact OG-OD2 3.03Å; S265-I269 WeakPolarHBondContact O-CG1 3.41Å; S265-I269 PolarHBondContact O-N 3.32Å; S265-I269 VanDerWaalsContact O-N 3.12Å
266	E	96.3	Very high	97.3	Very high	79 Å²	79	61 Å²	61	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-30.9	-177.5	-63.8	-159.4	170.1	0	0	112.7	F250 K254 I264 K270	F250-E266 HydrophobicContact CE2-CB 4.03Å; F250-E266 HydrophobicContact CE2-CG 4.28Å; F250-E266 HydrophobicContact CZ-CB 4.04Å; F250-E266 HydrophobicContact CZ-CG 3.85Å; K254-E266 IonicContact NZ-OE1 2.76Å; K254-E266 PolarHBondContact NZ-OE1 2.97Å; I264-E266 HydrophobicContact CG2-CG 4.36Å; E266-K270 WeakPolarHBondContact O-CB 3.44Å; E266-K270 WeakPolarHBondContact O-CD 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.49Å; E266-K270 PolarHBondContact O-N 3.13Å; E266-K270 IonicContact OE2-NZ 3.37Å; E266-K270 PolarHBondContact OE2-NZ 3.24Å
267	T	97.1	Very high	97.3	Very high	108 Å²	108	61.2 Å²	61.2	66%	0.663	33%	0.333	S	S	*	.	H	α-helix	trans	-65.6	-46.5	177.8	-53.7	0	0	0	0	111	S265 K270 A271	S265-T267 PolarHBondContact O-N 3.13Å; T267-K270 PolarHBondContact O-N 3.39Å; T267-A271 PolarHBondContact O-N 3.25Å
268	D	96	Very high	97.3	Very high	92 Å²	92	62.9 Å²	62.9	49%	0.492	34%	0.344	S	S	.	.	H	α-helix	trans	-68.5	-44.1	-178	-57.4	-28.6	0	0	0	110.7	S265 K270 A271 E272	S265-D268 WeakPolarHBondContact CB-OD2 3.4Å; S265-D268 PolarHBondContact O-N 3.16Å; S265-D268 PolarHBondContact OG-OD2 3.03Å; D268-K270 VanDerWaalsContact C-N 3.32Å; D268-K270 PolarHBondContact O-N 3.19Å; D268-A271 WeakPolarHBondContact O-CB 3.37Å; D268-A271 PolarHBondContact O-N 3.19Å; D268-A271 VanDerWaalsContact O-N 3.14Å; D268-E272 PolarHBondContact O-N 3.02Å
269	I	97.8	Very high	97.3	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-59.3	-43.8	175.6	-60.3	168.7	0	0	0	110.3	F250 A253 I264 S265 A271 E272 V273	F250-I269 HydrophobicContact CD2-CB 4.09Å; F250-I269 HydrophobicContact CD2-CG2 3.56Å; F250-I269 HydrophobicContact CE2-CB 4.17Å; F250-I269 HydrophobicContact CE2-CG2 4.1Å; F250-I269 HydrophobicContact CG-CG2 4.4Å; A253-I269 HydrophobicContact CB-CG2 3.86Å; I264-I269 HydrophobicContact CG2-CD1 4.07Å; S265-I269 WeakPolarHBondContact O-CG1 3.41Å; S265-I269 PolarHBondContact O-N 3.32Å; S265-I269 VanDerWaalsContact O-N 3.12Å; I269-A271 VanDerWaalsContact C-N 3.33Å; I269-A271 PolarHBondContact O-N 2.87Å; I269-E272 PolarHBondContact O-N 3.32Å; I269-V273 HydrophobicContact CG2-CG2 4.19Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 WeakPolarHBondContact O-CG2 3.24Å; I269-V273 PolarHBondContact O-N 3.48Å
270	K	97.9	Very high	97.4	Very high	102 Å²	102	55.6 Å²	55.6	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-36.9	177.7	-76.1	168.6	-172.7	161.9	0	112.6	F250 E266 T267 D268 T274	F250-K270 HydrophobicContact CD2-CG 3.74Å; F250-K270 HydrophobicContact CE2-CD 4.32Å; F250-K270 HydrophobicContact CE2-CG 3.8Å; E266-K270 WeakPolarHBondContact O-CB 3.44Å; E266-K270 WeakPolarHBondContact O-CD 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.49Å; E266-K270 PolarHBondContact O-N 3.13Å; E266-K270 IonicContact OE2-NZ 3.37Å; E266-K270 PolarHBondContact OE2-NZ 3.24Å; T267-K270 PolarHBondContact O-N 3.39Å; D268-K270 VanDerWaalsContact C-N 3.32Å; D268-K270 PolarHBondContact O-N 3.19Å; K270-T274 PolarHBondContact O-N 2.95Å; K270-T274 PolarHBondContact O-OG1 2.94Å
271	A	98.1	Very high	97.4	Very high	57 Å²	57	56.2 Å²	56.2	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-44.9	175.5	0	0	0	0	0	111.2	T267 D268 I269 T274 R275	T267-A271 PolarHBondContact O-N 3.25Å; D268-A271 WeakPolarHBondContact O-CB 3.37Å; D268-A271 PolarHBondContact O-N 3.19Å; D268-A271 VanDerWaalsContact O-N 3.14Å; I269-A271 VanDerWaalsContact C-N 3.33Å; I269-A271 PolarHBondContact O-N 2.87Å; A271-T274 WeakPolarHBondContact O-CB 3.22Å; A271-T274 PolarHBondContact O-N 3.29Å; A271-R275 WeakPolarHBondContact O-CG 3.08Å; A271-R275 PolarHBondContact O-N 3.37Å
272	E	98.2	Very high	97.4	Very high	36 Å²	36	54.6 Å²	54.6	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-41.2	176.2	-67.8	-165.6	-140.8	0	0	112.2	M168 D268 I269 T274 R275 V276 R365 N369	M168-E272 WeakPolarHBondContact CA-OE2 3.45Å; M168-E272 HydrophobicContact CB-CB 4.25Å; M168-E272 VanDerWaalsContact CB-OE2 3.23Å; M168-E272 WeakPolarHBondContact CB-OE2 3.38Å; M168-E272 HydrophobicContact CE-CB 4.28Å; M168-E272 PolarHBondContact N-OE2 3.43Å; D268-E272 PolarHBondContact O-N 3.02Å; I269-E272 PolarHBondContact O-N 3.32Å; E272-T274 VanDerWaalsContact C-N 3.34Å; E272-T274 PolarHBondContact O-N 3.5Å; E272-R275 WeakPolarHBondContact O-CB 3.45Å; E272-R275 PolarHBondContact O-N 2.77Å; E272-V276 WeakPolarHBondContact O-CG2 3.3Å; E272-V276 PolarHBondContact O-N 3.2Å; E272-R365 IonicContact OE1-CZ 3.45Å; E272-R365 IonicContact OE1-NE 3.68Å; E272-R365 PolarHBondContact OE1-NE 2.77Å; E272-R365 IonicContact OE1-NH2 2.68Å; E272-R365 PolarHBondContact OE1-NH2 3.46Å; E272-R365 IonicContact OE2-CZ 2.84Å; E272-R365 IonicContact OE2-NE 2.87Å; E272-R365 PolarHBondContact OE2-NE 3.48Å; E272-R365 IonicContact OE2-NH2 2.69Å; E272-R365 PolarHBondContact OE2-NH2 2.82Å; E272-N369 PolarHBondContact OE2-ND2 3.09Å
273	V	98.5	Very high	97.4	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-47	173.9	168.3	0	0	0	0	110.7	E246 M249 F250 I269 R275 V276 V277	E246-V273 HydrophobicContact CB-CG1 3.91Å; E246-V273 HydrophobicContact CG-CG1 4.09Å; M249-V273 HydrophobicContact CB-CG1 4.31Å; M249-V273 HydrophobicContact CB-CG2 4.1Å; M249-V273 HydrophobicContact CG-CG2 3.91Å; M249-V273 HydrophobicContact SD-CB 4.03Å; M249-V273 HydrophobicContact SD-CG1 3.98Å; M249-V273 HydrophobicContact SD-CG2 3.74Å; F250-V273 HydrophobicContact CB-CG2 4.25Å; I269-V273 HydrophobicContact CG2-CG2 4.19Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 WeakPolarHBondContact O-CG2 3.24Å; I269-V273 PolarHBondContact O-N 3.48Å; V273-R275 VanDerWaalsContact C-N 3.32Å; V273-R275 PolarHBondContact O-N 3.03Å; V273-V276 PolarHBondContact O-N 3.16Å; V273-V277 WeakPolarHBondContact O-CG2 3.4Å; V273-V277 PolarHBondContact O-N 2.78Å
274	T	97.9	Very high	97.4	Very high	68 Å²	68	44 Å²	44	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-57.3	-46.4	176.9	-56.5	0	0	0	0	111.1	K270 A271 E272 V276 V277 D278	K270-T274 PolarHBondContact O-N 2.95Å; K270-T274 PolarHBondContact O-OG1 2.94Å; A271-T274 WeakPolarHBondContact O-CB 3.22Å; A271-T274 PolarHBondContact O-N 3.29Å; E272-T274 VanDerWaalsContact C-N 3.34Å; E272-T274 PolarHBondContact O-N 3.5Å; T274-V276 VanDerWaalsContact C-N 3.33Å; T274-V276 PolarHBondContact O-N 2.86Å; T274-V277 PolarHBondContact O-N 3.03Å; T274-D278 PolarHBondContact O-N 2.95Å
275	R	98.3	Very high	97.2	Very high	92 Å²	92	44 Å²	44	35%	0.347	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-41.9	177.2	-73.6	-79.4	-72.5	178.4	-8	112.6	A271 E272 V273 L279 D366	A271-R275 WeakPolarHBondContact O-CG 3.08Å; A271-R275 PolarHBondContact O-N 3.37Å; E272-R275 WeakPolarHBondContact O-CB 3.45Å; E272-R275 PolarHBondContact O-N 2.77Å; V273-R275 VanDerWaalsContact C-N 3.32Å; V273-R275 PolarHBondContact O-N 3.03Å; R275-L279 WeakPolarHBondContact O-CB 3.19Å; R275-L279 PolarHBondContact O-N 2.98Å; R275-D366 IonicContact CZ-OD1 3.35Å; R275-D366 IonicContact CZ-OD2 3.7Å; R275-D366 IonicContact NE-OD1 3.63Å; R275-D366 PolarHBondContact NE-OD1 2.85Å; R275-D366 IonicContact NE-OD2 3.23Å; R275-D366 IonicContact NH2-OD1 2.73Å; R275-D366 PolarHBondContact NH2-OD1 3.3Å; R275-D366 IonicContact NH2-OD2 3.72Å; R275-D366 PolarHBondContact NH2-OD2 2.72Å
276	V	98.4	Very high	97.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-42	177.4	175.4	0	0	0	0	111.7	M168 M249 E272 V273 T274 L279 E280 N369 Y370	M168-V276 HydrophobicContact CE-CG2 3.88Å; M249-V276 HydrophobicContact CE-CB 3.85Å; M249-V276 HydrophobicContact CE-CG1 3.37Å; M249-V276 HydrophobicContact SD-CB 3.83Å; M249-V276 HydrophobicContact SD-CG1 3.87Å; M249-V276 HydrophobicContact SD-CG2 4.19Å; E272-V276 WeakPolarHBondContact O-CG2 3.3Å; E272-V276 PolarHBondContact O-N 3.2Å; V273-V276 PolarHBondContact O-N 3.16Å; T274-V276 VanDerWaalsContact C-N 3.33Å; T274-V276 PolarHBondContact O-N 2.86Å; V276-L279 PolarHBondContact O-N 3.46Å; V276-E280 PolarHBondContact O-N 3.4Å; V276-N369 HydrophobicContact CG2-CB 3.54Å; V276-Y370 HydrophobicContact CG1-CD2 4.03Å
277	V	97.6	Very high	96.9	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-39.8	178	173.3	0	0	0	0	111.5	Y245 E246 M249 V273 T274 E280 R281	Y245-V277 HydrophobicContact CD1-CG2 4.18Å; Y245-V277 HydrophobicContact CE1-CG2 4.18Å; E246-V277 HydrophobicContact CG-CG2 3.75Å; M249-V277 HydrophobicContact CE-CG2 4.26Å; V273-V277 WeakPolarHBondContact O-CG2 3.4Å; V273-V277 PolarHBondContact O-N 2.78Å; T274-V277 PolarHBondContact O-N 3.03Å; V277-E280 PolarHBondContact O-N 3.19Å; V277-R281 WeakPolarHBondContact O-CB 3.42Å; V277-R281 PolarHBondContact O-N 3.24Å
278	D	97.8	Very high	96.4	Very high	56 Å²	56	35.2 Å²	35.2	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-41.7	175.6	-73.1	-23.4	0	0	0	111.8	T274 R281 D282 Y362	T274-D278 PolarHBondContact O-N 2.95Å; D278-R281 WeakPolarHBondContact O-CB 3.48Å; D278-R281 PolarHBondContact O-N 3.23Å; D278-R281 IonicContact OD1-CZ 3.43Å; D278-R281 IonicContact OD1-NH1 3.68Å; D278-R281 PolarHBondContact OD1-NH1 3.13Å; D278-R281 IonicContact OD1-NH2 3.33Å; D278-D282 PolarHBondContact O-N 2.67Å; D278-Y362 VanDerWaalsContact C-OH 3.25Å; D278-Y362 PolarHBondContact O-OH 2.9Å
279	L	98.3	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-49.4	172.4	170.7	56.8	0	0	0	111.5	R275 V276 R281 D282 I283 V358 Y362 L367 Y370	R275-L279 WeakPolarHBondContact O-CB 3.19Å; R275-L279 PolarHBondContact O-N 2.98Å; V276-L279 PolarHBondContact O-N 3.46Å; L279-R281 VanDerWaalsContact C-N 3.3Å; L279-R281 PolarHBondContact O-N 3.31Å; L279-D282 PolarHBondContact O-N 3.3Å; L279-I283 HydrophobicContact CD1-CD1 3.72Å; L279-I283 HydrophobicContact CD1-CG1 4Å; L279-I283 HydrophobicContact CG-CD1 3.86Å; L279-I283 VanDerWaalsContact O-CG1 3.3Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 3.24Å; L279-V358 HydrophobicContact CD1-CG1 4.02Å; L279-Y362 WeakPolarHBondContact CA-OH 3.32Å; L279-Y362 HydrophobicContact CB-CD1 3.89Å; L279-Y362 HydrophobicContact CB-CD2 4.46Å; L279-Y362 HydrophobicContact CB-CE1 3.58Å; L279-Y362 HydrophobicContact CB-CE2 4.2Å; L279-Y362 HydrophobicContact CB-CG 4.34Å; L279-Y362 HydrophobicContact CD1-CD1 4.29Å; L279-Y362 HydrophobicContact CD1-CD2 3.49Å; L279-Y362 VanDerWaalsContact CD1-CD2 3.49Å; L279-Y362 HydrophobicContact CD1-CE1 4.41Å; L279-Y362 HydrophobicContact CD1-CE2 3.64Å; L279-Y362 HydrophobicContact CD1-CG 3.85Å; L279-Y362 HydrophobicContact CG-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CD2 4.46Å; L279-Y362 HydrophobicContact CG-CE1 4.5Å; L279-Y362 HydrophobicContact CG-CG 4.45Å; L279-Y362 PolarHBondContact N-OH 3.45Å; L279-L367 HydrophobicContact CD1-CD2 4.16Å; L279-L367 HydrophobicContact CD2-CD2 3.85Å; L279-Y370 HydrophobicContact CD2-CD1 4.17Å; L279-Y370 HydrophobicContact CD2-CG 3.87Å; L279-Y370 HydrophobicContact CG-CG 4.32Å
280	E	97.9	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-37.7	178.5	-166.5	173.4	-139.7	0	0	111.8	F224 G225 Y232 Y245 V276 V277 D282 I283 V284 Y370 R374	F224-E280 HydrophobicContact CD1-CG 4.43Å; G225-E280 PolarHBondContact N-OE1 2.97Å; Y232-E280 HydrophobicContact CE1-CB 4.16Å; Y232-E280 HydrophobicContact CE1-CG 3.73Å; Y232-E280 WeakPolarHBondContact CE1-OE2 3.46Å; Y232-E280 PolarHBondContact OH-OE1 2.91Å; Y232-E280 PolarHBondContact OH-OE2 3.01Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.47Å; Y245-E280 VanDerWaalsContact OH-CD 3.32Å; Y245-E280 PolarHBondContact OH-OE1 2.97Å; Y245-E280 PolarHBondContact OH-OE2 2.98Å; V276-E280 PolarHBondContact O-N 3.4Å; V277-E280 PolarHBondContact O-N 3.19Å; E280-D282 PolarHBondContact O-N 3.27Å; E280-I283 PolarHBondContact O-N 3.05Å; E280-V284 HydrophobicContact CG-CG2 4.39Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.35Å; E280-V284 PolarHBondContact O-N 3.33Å; E280-Y370 HydrophobicContact CB-CD2 4.25Å; E280-Y370 HydrophobicContact CB-CE2 3.75Å; E280-Y370 HydrophobicContact CG-CE2 3.72Å; E280-R374 WeakPolarHBondContact OE1-CD 3.47Å; E280-R374 IonicContact OE1-NE 3.77Å
281	R	96.9	Very high	92.6	Very high	84 Å²	84	39.4 Å²	39.4	32%	0.317	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-42	174.2	-173.9	-173.7	-62.9	126.9	8	111.9	Y232 V277 D278 L279 S285	Y232-R281 HydrophobicContact CD1-CB 4.28Å; Y232-R281 PolarHBondContact O-NE 3.38Å; V277-R281 WeakPolarHBondContact O-CB 3.42Å; V277-R281 PolarHBondContact O-N 3.24Å; D278-R281 WeakPolarHBondContact O-CB 3.48Å; D278-R281 PolarHBondContact O-N 3.23Å; D278-R281 IonicContact OD1-CZ 3.43Å; D278-R281 IonicContact OD1-NH1 3.68Å; D278-R281 PolarHBondContact OD1-NH1 3.13Å; D278-R281 IonicContact OD1-NH2 3.33Å; L279-R281 VanDerWaalsContact C-N 3.3Å; L279-R281 PolarHBondContact O-N 3.31Å; R281-S285 WeakPolarHBondContact O-CB 3.43Å; R281-S285 PolarHBondContact O-N 2.84Å; R281-S285 PolarHBondContact O-OG 3.32Å
282	D	97.4	Very high	90.7	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.7	-86.1	-14.3	0	0	0	111.7	D278 L279 E280 S285 A286 V358 K361 Y362	D278-D282 PolarHBondContact O-N 2.67Å; L279-D282 PolarHBondContact O-N 3.3Å; E280-D282 PolarHBondContact O-N 3.27Å; D282-S285 WeakPolarHBondContact O-CB 3.4Å; D282-S285 PolarHBondContact O-N 2.9Å; D282-A286 PolarHBondContact O-N 3.21Å; D282-V358 HydrophobicContact CB-CB 4.49Å; D282-V358 HydrophobicContact CB-CG1 3.71Å; D282-V358 HydrophobicContact CB-CG2 4.08Å; D282-K361 IonicContact OD1-NZ 3.53Å; D282-K361 PolarHBondContact OD1-NZ 2.87Å; D282-K361 WeakPolarHBondContact OD2-CD 3.25Å; D282-K361 IonicContact OD2-NZ 2.88Å; D282-K361 PolarHBondContact OD2-NZ 3.46Å; D282-Y362 HydrophobicContact CB-CE2 4.32Å; D282-Y362 WeakPolarHBondContact OD2-CE2 3.27Å; D282-Y362 PolarHBondContact OD2-OH 2.88Å
283	I	96.8	Very high	88.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-49.1	175.2	-65.2	162.1	0	0	0	110.4	L199 F224 L279 E280 S285 A286 T287 Y351 L355 V358 Y370	L199-I283 HydrophobicContact CD2-CD1 3.44Å; L199-I283 VanDerWaalsContact CD2-CD1 3.44Å; L199-I283 HydrophobicContact CD2-CG1 4.06Å; F224-I283 HydrophobicContact CE1-CG2 4.15Å; L279-I283 HydrophobicContact CD1-CD1 3.72Å; L279-I283 HydrophobicContact CD1-CG1 4Å; L279-I283 HydrophobicContact CG-CD1 3.86Å; L279-I283 VanDerWaalsContact O-CG1 3.3Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 3.24Å; E280-I283 PolarHBondContact O-N 3.05Å; I283-S285 PolarHBondContact O-N 3.26Å; I283-A286 WeakPolarHBondContact O-CB 3.4Å; I283-A286 PolarHBondContact O-N 2.86Å; I283-T287 WeakPolarHBondContact O-CG2 3.01Å; I283-T287 PolarHBondContact O-N 3.43Å; I283-Y351 HydrophobicContact CG2-CE2 4.43Å; I283-L355 HydrophobicContact CG1-CD1 4.43Å; I283-V358 HydrophobicContact CG1-CG1 4.07Å; I283-Y370 HydrophobicContact CD1-CD1 4.06Å; I283-Y370 HydrophobicContact CD1-CE1 3.44Å; I283-Y370 VanDerWaalsContact CD1-CE1 3.44Å; I283-Y370 HydrophobicContact CD1-CE2 4.25Å
284	V	94.8	Very high	86.2	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-34.5	176.4	166.7	0	0	0	0	111.1	F224 R229 Y232 E280 A286 T287	F224-V284 HydrophobicContact CB-CG2 4.34Å; F224-V284 HydrophobicContact CD1-CG2 3.34Å; F224-V284 HydrophobicContact CD2-CG2 4.1Å; F224-V284 HydrophobicContact CE1-CG2 3.54Å; F224-V284 HydrophobicContact CE2-CG2 4.26Å; F224-V284 HydrophobicContact CG-CG2 3.65Å; F224-V284 HydrophobicContact CZ-CG2 4Å; R229-V284 HydrophobicContact CB-CG1 3.93Å; R229-V284 HydrophobicContact CG-CG1 3.69Å; R229-V284 PolarHBondContact NH1-O 3.13Å; Y232-V284 HydrophobicContact CD1-CG2 4.42Å; Y232-V284 HydrophobicContact CD2-CB 4.29Å; Y232-V284 HydrophobicContact CD2-CG1 3.83Å; Y232-V284 HydrophobicContact CD2-CG2 3.88Å; Y232-V284 HydrophobicContact CE1-CG2 4.26Å; Y232-V284 HydrophobicContact CE2-CG1 4.41Å; Y232-V284 HydrophobicContact CE2-CG2 3.69Å; Y232-V284 HydrophobicContact CG-CB 4.39Å; Y232-V284 HydrophobicContact CG-CG1 4.15Å; Y232-V284 HydrophobicContact CG-CG2 4.25Å; E280-V284 HydrophobicContact CG-CG2 4.39Å; E280-V284 WeakPolarHBondContact O-CB 3.43Å; E280-V284 WeakPolarHBondContact O-CG2 3.35Å; E280-V284 PolarHBondContact O-N 3.33Å; V284-A286 VanDerWaalsContact C-N 3.34Å; V284-T287 PolarHBondContact O-OG1 3.35Å
285	S	93.4	Very high	84.4	Confident	59 Å²	59	39.6 Å²	39.6	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-70.5	-33.7	177.1	-62.8	0	0	0	0	112.2	R229 R281 D282 I283	R229-S285 PolarHBondContact NH1-O 3.5Å; R229-S285 PolarHBondContact NH2-O 3.28Å; R281-S285 WeakPolarHBondContact O-CB 3.43Å; R281-S285 PolarHBondContact O-N 2.84Å; R281-S285 PolarHBondContact O-OG 3.32Å; D282-S285 WeakPolarHBondContact O-CB 3.4Å; D282-S285 PolarHBondContact O-N 2.9Å; I283-S285 PolarHBondContact O-N 3.26Å
286	A	94.2	Very high	82.5	Confident	5 Å²	5	37.7 Å²	37.7	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-73.9	-28.3	177.1	0	0	0	0	0	113.4	D282 I283 V284 Y351 K354 V358	D282-A286 PolarHBondContact O-N 3.21Å; I283-A286 WeakPolarHBondContact O-CB 3.4Å; I283-A286 PolarHBondContact O-N 2.86Å; V284-A286 VanDerWaalsContact C-N 3.34Å; A286-Y351 HydrophobicContact CB-CD2 4.22Å; A286-Y351 HydrophobicContact CB-CE2 4.23Å; A286-K354 HydrophobicContact CB-CB 3.74Å; A286-K354 WeakPolarHBondContact O-CD 3.47Å; A286-V358 HydrophobicContact CB-CG2 3.99Å
287	T	92.1	Very high	80.8	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-63.2	141.6	177.7	65.5	0	0	0	0	111.2	F224 R229 I283 V284 Y351	F224-T287 HydrophobicContact CE1-CG2 4.22Å; F224-T287 HydrophobicContact CZ-CG2 3.6Å; R229-T287 PolarHBondContact NH1-O 2.83Å; I283-T287 WeakPolarHBondContact O-CG2 3.01Å; I283-T287 PolarHBondContact O-N 3.43Å; V284-T287 PolarHBondContact O-OG1 3.35Å; T287-Y351 HydrophobicContact CG2-CD2 3.95Å; T287-Y351 HydrophobicContact CG2-CE2 3.69Å
288	D	86.8	Confident	79.4	Confident	24 Å²	24	47.9 Å²	47.9	13%	0.128	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-73.6	143.4	169.7	-61.3	-45	0	0	0	108.8	Q220 L290 Y348 S350 K354	Q220-D288 PolarHBondContact NE2-O 3.01Å; D288-L290 PolarHBondContact O-N 3.32Å; D288-Y348 HydrophobicContact CB-CD1 4.14Å; D288-S350 WeakPolarHBondContact OD2-CB 3.45Å; D288-S350 PolarHBondContact OD2-OG 2.73Å; D288-K354 IonicContact OD1-NZ 2.75Å; D288-K354 PolarHBondContact OD1-NZ 3.18Å
289	P	78.9	Confident	78.2	Confident	89 Å²	89	46.4 Å²	46.4	58%	0.578	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-52.1	139.9	170.7	-22.6	33.2	0	0	0	109.3	L291	P289-L291 PolarHBondContact O-N 2.88Å
290	L	69.8	Low	77.6	Confident	124 Å²	124	49.5 Å²	49.5	65%	0.649	27%	0.268	S	S	*	.			trans	-57	114.3	170.3	-65.1	176.5	0	0	0	107	M222 D288	M222-L290 HydrophobicContact SD-CD2 4.02Å; D288-L290 PolarHBondContact O-N 3.32Å
291	L	62.3	Low	77.2	Confident	75 Å²	75	52.6 Å²	52.6	39%	0.393	29%	0.285	S	S	.	.			trans	-67.5	156.3	179.8	-63.9	179.6	0	0	0	109.4	P289 D295 L299	P289-L291 PolarHBondContact O-N 2.88Å; L291-D295 HydrophobicContact CB-CB 3.83Å; L291-D295 HydrophobicContact CD1-CB 3.91Å; L291-D295 HydrophobicContact CG-CB 4.41Å; L291-L299 HydrophobicContact CD1-CD2 3.71Å; L291-L299 HydrophobicContact CD1-CG 4.13Å
292	L	58	Low	77.1	Confident	51 Å²	51	52.9 Å²	52.9	27%	0.267	29%	0.288	S	S	.	.			trans	-60.1	148.7	172.2	-66.1	172.9	0	0	0	109	S294 D295 N641	L292-S294 WeakPolarHBondContact CB-OG 2.95Å; L292-S294 PolarHBondContact O-N 2.92Å; L292-D295 WeakPolarHBondContact O-CB 3.42Å; L292-D295 PolarHBondContact O-N 3.46Å; L292-N641 HydrophobicContact CD1-CB 3.92Å; L292-N641 HydrophobicContact CD2-CB 3.9Å; L292-N641 WeakPolarHBondContact CD2-O 3.48Å
293	P	51.1	Low	77	Confident	34 Å²	34	51.7 Å²	51.7	22%	0.221	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-53.9	-30.1	177.2	-22.1	31.4	0	0	0	112.6	D295 Q296 D591 K592 K595	P293-D295 PolarHBondContact O-N 2.96Å; P293-Q296 PolarHBondContact O-N 3.49Å; P293-D591 WeakPolarHBondContact CB-OD2 3.33Å; P293-K592 HydrophobicContact CB-CB 3.57Å; P293-K592 HydrophobicContact CB-CD 4.27Å; P293-K592 HydrophobicContact CB-CG 3.89Å; P293-K595 PolarHBondContact O-NZ 3.31Å
294	S	50.8	Low	77.1	Confident	36 Å²	36	53.6 Å²	53.6	25%	0.252	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-53.6	-13.9	168.9	69.6	0	0	0	0	116.3	L292 D591 K595	L292-S294 WeakPolarHBondContact CB-OG 2.95Å; L292-S294 PolarHBondContact O-N 2.92Å; S294-D591 PolarHBondContact N-OD2 2.74Å; S294-K595 WeakPolarHBondContact O-CE 3.36Å; S294-K595 PolarHBondContact O-NZ 3.38Å
295	D	60.6	Low	77.2	Confident	49 Å²	49	53.5 Å²	53.5	26%	0.262	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-112.9	-0.3	-176.3	-57.7	-21.1	0	0	0	113.4	L291 L292 P293 V297 L298	L291-D295 HydrophobicContact CB-CB 3.83Å; L291-D295 HydrophobicContact CD1-CB 3.91Å; L291-D295 HydrophobicContact CG-CB 4.41Å; L292-D295 WeakPolarHBondContact O-CB 3.42Å; L292-D295 PolarHBondContact O-N 3.46Å; P293-D295 PolarHBondContact O-N 2.96Å; D295-V297 PolarHBondContact O-N 3.39Å; D295-L298 HydrophobicContact CB-CD1 4.16Å; D295-L298 WeakPolarHBondContact O-CA 3.18Å; D295-L298 WeakPolarHBondContact O-CB 3.29Å; D295-L298 PolarHBondContact O-N 3.27Å
296	Q	58.5	Low	77.4	Confident	51 Å²	51	56.5 Å²	56.5	24%	0.238	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-53.4	-26.7	-179.7	-79.2	176.9	-6.3	0	0	115.5	P293 L298 L299 K592 K595	P293-Q296 PolarHBondContact O-N 3.49Å; Q296-L298 PolarHBondContact O-N 3.03Å; Q296-L299 PolarHBondContact O-N 2.97Å; Q296-L299 VanDerWaalsContact O-N 3.1Å; Q296-K592 VanDerWaalsContact OE1-CE 3.23Å; Q296-K592 VanDerWaalsContact OE1-CG 3.23Å; Q296-K595 VanDerWaalsContact N-NZ 3.12Å
297	V	63.6	Low	77.6	Confident	82 Å²	82	60.3 Å²	60.3	50%	0.497	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.8	-28.1	174.6	179.1	0	0	0	0	111.2	D295 L299 K595 L602	D295-V297 PolarHBondContact O-N 3.39Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-K595 HydrophobicContact CG2-CD 4.02Å; V297-K595 HydrophobicContact CG2-CG 4.43Å; V297-L602 HydrophobicContact CG2-CD1 3.94Å; V297-L602 HydrophobicContact CG2-CD2 4.5Å; V297-L602 HydrophobicContact CG2-CG 4.39Å
298	L	66.7	Low	77.8	Confident	138 Å²	138	59.8 Å²	59.8	72%	0.723	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-77.3	-16.5	177.9	-55.1	177.1	0	0	0	112.9	D295 Q296	D295-L298 HydrophobicContact CB-CD1 4.16Å; D295-L298 WeakPolarHBondContact O-CA 3.18Å; D295-L298 WeakPolarHBondContact O-CB 3.29Å; D295-L298 PolarHBondContact O-N 3.27Å; Q296-L298 PolarHBondContact O-N 3.03Å
299	L	73.3	Confident	78.2	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.126	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-25.7	179.4	-61.8	176.2	0	0	0	111.7	L291 Q296 V297 D301 N347 Y348	L291-L299 HydrophobicContact CD1-CD2 3.71Å; L291-L299 HydrophobicContact CD1-CG 4.13Å; Q296-L299 PolarHBondContact O-N 2.97Å; Q296-L299 VanDerWaalsContact O-N 3.1Å; V297-L299 VanDerWaalsContact C-N 3.3Å; L299-D301 PolarHBondContact O-N 3.14Å; L299-N347 HydrophobicContact CB-CB 4.06Å; L299-N347 WeakPolarHBondContact CD2-O 3.18Å; L299-N347 VanDerWaalsContact O-CA 3.28Å; L299-N347 WeakPolarHBondContact O-CA 3.3Å; L299-N347 PolarHBondContact O-OD1 3.46Å; L299-N347 VanDerWaalsContact O-OD1 3.12Å; L299-Y348 HydrophobicContact CD1-CE1 4.48Å; L299-Y348 HydrophobicContact CD2-CD1 4.25Å; L299-Y348 HydrophobicContact CD2-CE1 3.88Å
300	Y	85.5	Confident	79	Confident	66 Å²	66	66.1 Å²	66.1	26%	0.259	32%	0.319	S	S	.	.			trans	-69.1	88.9	-178.2	-173.6	-91.3	0	0	0	111.7	D207 D208 K302 I345 L602	D207-Y300 WeakPolarHBondContact OD1-CE2 3.16Å; D207-Y300 PolarHBondContact OD1-OH 3.46Å; D208-Y300 HydrophobicContact CB-CD2 3.91Å; D208-Y300 HydrophobicContact CB-CE2 3.97Å; Y300-K302 HydrophobicContact CE1-CB 4.09Å; Y300-K302 WeakPolarHBondContact OH-CD 3.46Å; Y300-I345 HydrophobicContact CD2-CD1 3.85Å; Y300-I345 HydrophobicContact CD2-CG1 4.49Å; Y300-I345 HydrophobicContact CE2-CD1 3.37Å; Y300-I345 HydrophobicContact CE2-CG1 4.14Å; Y300-L602 HydrophobicContact CD2-CD2 4.38Å; Y300-L602 HydrophobicContact CG-CD2 4.24Å
301	D	89.6	Confident	80.2	Confident	64 Å²	64	64.9 Å²	64.9	34%	0.342	31%	0.313	S	S	.	.			trans	-112.9	95.6	175.6	-172.7	9.5	0	0	0	110.2	L299 M303 I345 N346	L299-D301 PolarHBondContact O-N 3.14Å; D301-M303 HydrophobicContact CB-CE 4.31Å; D301-M303 WeakPolarHBondContact OD2-CE 3.41Å; D301-I345 WeakPolarHBondContact O-CA 3.38Å; D301-N346 WeakPolarHBondContact CB-O 3.44Å; D301-N346 PolarHBondContact O-N 3.28Å
302	K	94.5	Very high	81.8	Confident	90 Å²	90	62.3 Å²	62.3	39%	0.391	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.7	-179.6	-172.2	166.1	-174.7	162.8	0	110.3	D207 I215 Y300 I344 I345	D207-K302 IonicContact OD2-NZ 2.73Å; D207-K302 PolarHBondContact OD2-NZ 2.98Å; I215-K302 HydrophobicContact CD1-CD 4.24Å; I215-K302 HydrophobicContact CD1-CG 4.45Å; Y300-K302 HydrophobicContact CE1-CB 4.09Å; Y300-K302 WeakPolarHBondContact OH-CD 3.46Å; K302-I344 WeakPolarHBondContact CA-O 3.18Å; K302-I345 HydrophobicContact CB-CG1 4.47Å
303	M	95.9	Very high	83.6	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.059	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	172.1	-176	65.9	-178.3	67.4	0	0	111.6	D301 E307 L308 F312 K343 I344 N346	D301-M303 HydrophobicContact CB-CE 4.31Å; D301-M303 WeakPolarHBondContact OD2-CE 3.41Å; M303-E307 WeakPolarHBondContact CA-OE2 3.13Å; M303-E307 HydrophobicContact CB-CB 4.38Å; M303-E307 WeakPolarHBondContact CB-OE2 3.17Å; M303-L308 HydrophobicContact SD-CB 4.25Å; M303-L308 HydrophobicContact SD-CD1 4.34Å; M303-F312 HydrophobicContact CE-CE2 4.22Å; M303-F312 HydrophobicContact SD-CE2 4.08Å; M303-K343 WeakPolarHBondContact O-CA 3.41Å; M303-I344 HydrophobicContact CG-CD1 3.42Å; M303-I344 VanDerWaalsContact CG-CD1 3.42Å; M303-I344 HydrophobicContact CG-CG1 4.1Å; M303-I344 PolarHBondContact N-O 3.5Å; M303-I344 PolarHBondContact O-N 3.29Å; M303-I344 HydrophobicContact SD-CD1 4.12Å; M303-N346 HydrophobicContact CE-CB 3.84Å; M303-N346 HydrophobicContact SD-CB 4.23Å
304	E	98.1	Very high	85.7	Confident	41 Å²	41	61.2 Å²	61.2	19%	0.192	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.5	169.4	-64.6	-173.7	-176.4	0	0	111.8	R306 E307 L308 E342 K343	E304-R306 HydrophobicContact CB-CG 3.8Å; E304-R306 PolarHBondContact O-N 2.97Å; E304-R306 VanDerWaalsContact O-N 3.15Å; E304-R306 WeakPolarHBondContact OE2-CD 3.38Å; E304-R306 IonicContact OE2-CZ 3.54Å; E304-R306 IonicContact OE2-NE 3.78Å; E304-R306 PolarHBondContact OE2-NE 3.08Å; E304-R306 IonicContact OE2-NH1 2.9Å; E304-R306 IonicContact OE2-NH2 3.05Å; E304-E307 HydrophobicContact CB-CG 4.17Å; E304-E307 PolarHBondContact N-OE2 3.17Å; E304-E307 WeakPolarHBondContact O-CA 3.42Å; E304-E307 VanDerWaalsContact O-CB 3.32Å; E304-E307 WeakPolarHBondContact O-CB 3.41Å; E304-E307 PolarHBondContact O-N 3.31Å; E304-L308 PolarHBondContact O-N 3.34Å; E304-L308 VanDerWaalsContact O-N 3.16Å; E304-E342 CarbonylContact C-O 3.45Å; E304-E342 VanDerWaalsContact CA-O 3.29Å; E304-E342 WeakPolarHBondContact CA-O 3.36Å; E304-K343 HydrophobicContact CG-CD 3.98Å; E304-K343 IonicContact OE1-NZ 2.81Å; E304-K343 PolarHBondContact OE1-NZ 3.03Å
305	L	98.2	Very high	87.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.4	-31.7	175.3	-179.6	59.5	0	0	0	112.8	F218 E307 L308 N309 W323 T327 V338 E342 I344	F218-L305 HydrophobicContact CE2-CD1 4.36Å; F218-L305 HydrophobicContact CZ-CD1 4.31Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 2.65Å; L305-L308 HydrophobicContact CD1-CD2 4.1Å; L305-L308 PolarHBondContact O-N 3.14Å; L305-N309 PolarHBondContact O-N 3.25Å; L305-N309 VanDerWaalsContact O-N 3.09Å; L305-N309 PolarHBondContact O-ND2 3.13Å; L305-W323 HydrophobicContact CD1-CB 4.07Å; L305-T327 HydrophobicContact CD2-CG2 4.38Å; L305-V338 HydrophobicContact CD2-CG1 3.96Å; L305-E342 HydrophobicContact CB-CB 4.34Å; L305-E342 PolarHBondContact N-O 3Å; L305-I344 HydrophobicContact CB-CG2 4.46Å
306	R	97.8	Very high	89.2	Confident	122 Å²	122	61.2 Å²	61.2	46%	0.46	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-34.8	171.6	69.5	-176.4	65.6	-177.6	0.5	113.2	E304 N309 R310 E340	E304-R306 HydrophobicContact CB-CG 3.8Å; E304-R306 PolarHBondContact O-N 2.97Å; E304-R306 VanDerWaalsContact O-N 3.15Å; E304-R306 WeakPolarHBondContact OE2-CD 3.38Å; E304-R306 IonicContact OE2-CZ 3.54Å; E304-R306 IonicContact OE2-NE 3.78Å; E304-R306 PolarHBondContact OE2-NE 3.08Å; E304-R306 IonicContact OE2-NH1 2.9Å; E304-R306 IonicContact OE2-NH2 3.05Å; R306-N309 PolarHBondContact O-N 2.97Å; R306-R310 WeakPolarHBondContact O-CB 3.39Å; R306-R310 PolarHBondContact O-N 3.32Å; R306-E340 HydrophobicContact CB-CB 4.09Å; R306-E340 WeakPolarHBondContact CB-O 3.47Å; R306-E340 PolarHBondContact N-O 2.73Å; R306-E340 PolarHBondContact NE-O 2.76Å
307	E	97.5	Very high	90.5	Very high	84 Å²	84	63.3 Å²	63.3	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-72.7	-39.5	179.8	-62.5	173.6	144.2	0	0	109.6	M303 E304 L305 N309 R310 N311	M303-E307 WeakPolarHBondContact CA-OE2 3.13Å; M303-E307 HydrophobicContact CB-CB 4.38Å; M303-E307 WeakPolarHBondContact CB-OE2 3.17Å; E304-E307 HydrophobicContact CB-CG 4.17Å; E304-E307 PolarHBondContact N-OE2 3.17Å; E304-E307 WeakPolarHBondContact O-CA 3.42Å; E304-E307 VanDerWaalsContact O-CB 3.32Å; E304-E307 WeakPolarHBondContact O-CB 3.41Å; E304-E307 PolarHBondContact O-N 3.31Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 2.65Å; E307-N309 PolarHBondContact O-N 3.16Å; E307-R310 PolarHBondContact O-N 2.9Å; E307-N311 VanDerWaalsContact O-CB 3.27Å; E307-N311 WeakPolarHBondContact O-CB 3.3Å; E307-N311 VanDerWaalsContact O-CG 3.3Å; E307-N311 PolarHBondContact O-N 3.01Å; E307-N311 PolarHBondContact O-ND2 2.94Å
308	L	96.3	Very high	91.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-49.9	171.4	-173.5	67.4	0	0	0	111	F218 M303 E304 L305 R310 N311 F312 W323 I344	F218-L308 HydrophobicContact CD1-CD2 4.03Å; F218-L308 HydrophobicContact CD2-CD2 3.73Å; F218-L308 HydrophobicContact CE1-CD2 4.06Å; F218-L308 HydrophobicContact CE2-CD2 3.77Å; F218-L308 HydrophobicContact CG-CD2 3.85Å; F218-L308 HydrophobicContact CZ-CD2 3.92Å; M303-L308 HydrophobicContact SD-CB 4.25Å; M303-L308 HydrophobicContact SD-CD1 4.34Å; E304-L308 PolarHBondContact O-N 3.34Å; E304-L308 VanDerWaalsContact O-N 3.16Å; L305-L308 HydrophobicContact CD1-CD2 4.1Å; L305-L308 PolarHBondContact O-N 3.14Å; L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 3.03Å; L308-N311 PolarHBondContact O-N 3.27Å; L308-F312 HydrophobicContact CD1-CB 4.31Å; L308-F312 HydrophobicContact CD1-CD2 3.64Å; L308-F312 HydrophobicContact CD1-CE2 4.26Å; L308-F312 HydrophobicContact CD1-CG 4.2Å; L308-F312 PolarHBondContact O-N 2.94Å; L308-W323 HydrophobicContact CD2-CB 4.15Å; L308-W323 HydrophobicContact CD2-CD2 3.78Å; L308-W323 HydrophobicContact CD2-CE3 3.72Å; L308-W323 HydrophobicContact CD2-CG 4Å; L308-W323 HydrophobicContact CD2-CZ3 4.39Å; L308-W323 HydrophobicContact CG-CB 4.45Å; L308-W323 HydrophobicContact CG-CD2 3.91Å; L308-W323 HydrophobicContact CG-CE3 4.3Å; L308-W323 HydrophobicContact CG-CG 3.99Å; L308-I344 HydrophobicContact CD2-CD1 4.34Å
309	N	95.6	Very high	92.7	Very high	36 Å²	36	60.1 Å²	60.1	19%	0.193	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-41.4	176.7	-81.6	-69.2	0	0	0	113.8	L305 R306 E307 W323 S324	L305-N309 PolarHBondContact O-N 3.25Å; L305-N309 VanDerWaalsContact O-N 3.09Å; L305-N309 PolarHBondContact O-ND2 3.13Å; R306-N309 PolarHBondContact O-N 2.97Å; E307-N309 PolarHBondContact O-N 3.16Å; N309-W323 WeakPolarHBondContact OD1-CA 3.42Å; N309-W323 VanDerWaalsContact OD1-CB 3.29Å; N309-W323 WeakPolarHBondContact OD1-CB 3.49Å; N309-W323 PolarHBondContact OD1-N 2.76Å; N309-S324 PolarHBondContact ND2-N 3.39Å; N309-S324 PolarHBondContact ND2-OG 2.8Å; N309-S324 PolarHBondContact OD1-N 2.9Å
310	R	95.8	Very high	93.7	Very high	210 Å²	210	66.1 Å²	66.1	79%	0.792	31%	0.314	S	S	*	.	H	α-helix	trans	-73.4	-43	-177.2	-177.9	-179.4	172.5	-177	-2.9	112.1	R306 E307 L308	R306-R310 WeakPolarHBondContact O-CB 3.39Å; R306-R310 PolarHBondContact O-N 3.32Å; E307-R310 PolarHBondContact O-N 2.9Å; L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 3.03Å
311	N	95.4	Very high	94.3	Very high	98 Å²	98	63.6 Å²	63.6	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-91.7	-28.2	-167.1	-63.5	-16.4	0	0	0	112.7	E307 L308	E307-N311 VanDerWaalsContact O-CB 3.27Å; E307-N311 WeakPolarHBondContact O-CB 3.3Å; E307-N311 VanDerWaalsContact O-CG 3.3Å; E307-N311 PolarHBondContact O-N 3.01Å; E307-N311 PolarHBondContact O-ND2 2.94Å; L308-N311 PolarHBondContact O-N 3.27Å
312	F	95.6	Very high	94.6	Very high	20 Å²	20	63.7 Å²	63.7	9%	0.088	31%	0.305	C	S	.	.			trans	-118.9	76.9	-173.5	-55.8	-83.6	0	0	0	111.2	M303 L308 W323 P349 F352 V353	M303-F312 HydrophobicContact CE-CE2 4.22Å; M303-F312 HydrophobicContact SD-CE2 4.08Å; L308-F312 HydrophobicContact CD1-CB 4.31Å; L308-F312 HydrophobicContact CD1-CD2 3.64Å; L308-F312 HydrophobicContact CD1-CE2 4.26Å; L308-F312 HydrophobicContact CD1-CG 4.2Å; L308-F312 PolarHBondContact O-N 2.94Å; F312-W323 HydrophobicContact CB-CZ2 4.49Å; F312-W323 PolarHBondContact O-NE1 3.26Å; F312-P349 HydrophobicContact CE1-CB 3.54Å; F312-P349 VanDerWaalsContact CE1-O 3.25Å; F312-P349 WeakPolarHBondContact CE1-O 3.39Å; F312-P349 HydrophobicContact CZ-CB 3.45Å; F312-P349 VanDerWaalsContact CZ-CB 3.45Å; F312-F352 HydrophobicContact CB-CB 4.15Å; F312-F352 HydrophobicContact CD1-CB 3.89Å; F312-F352 HydrophobicContact CG-CB 4.3Å; F312-V353 HydrophobicContact CD1-CG2 3.96Å; F312-V353 HydrophobicContact CE1-CG2 4Å
313	T	94.3	Very high	94.8	Very high	60 Å²	60	59.4 Å²	59.4	37%	0.368	29%	0.286	S	S	.	.			trans	-82.4	124.7	-178.6	52.8	0	0	0	0	111.9	K356	T313-K356 VanDerWaalsContact O-CD 3.28Å; T313-K356 WeakPolarHBondContact O-CD 3.36Å; T313-K356 WeakPolarHBondContact O-CG 3.22Å; T313-K356 PolarHBondContact OG1-NZ 3.09Å
314	L	95.9	Very high	94.9	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	29%	0.29	C	S	.	.			trans	-111.8	146.4	168.8	-54	176.2	0	0	0	109.2	F321 W323 L355 K356 L359	L314-F321 HydrophobicContact CB-CB 3.73Å; L314-F321 HydrophobicContact CB-CG 4.36Å; L314-F321 HydrophobicContact CD1-CG 4.43Å; L314-F321 PolarHBondContact O-N 3.22Å; L314-W323 HydrophobicContact CD1-CH2 4.06Å; L314-W323 HydrophobicContact CD1-CZ2 3.74Å; L314-W323 HydrophobicContact CG-CZ2 4.15Å; L314-L355 HydrophobicContact CD1-CD2 4.1Å; L314-L355 HydrophobicContact CD2-CB 4.22Å; L314-L355 HydrophobicContact CD2-CD2 4.32Å; L314-L355 HydrophobicContact CD2-CG 4.27Å; L314-K356 HydrophobicContact CD2-CB 4.16Å; L314-L359 HydrophobicContact CB-CD1 3.99Å; L314-L359 HydrophobicContact CD1-CD1 4.18Å; L314-L359 HydrophobicContact CD2-CD1 4.12Å; L314-L359 HydrophobicContact CG-CD1 4.32Å
315	E	92.9	Very high	94.9	Very high	79 Å²	79	61 Å²	61	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.9	-177.3	-169.9	176.4	145.4	0	0	110.5	S318 Q319	E315-S318 WeakPolarHBondContact OE1-CA 3.41Å; E315-Q319 WeakPolarHBondContact CA-O 3.35Å
316	I	91.2	Very high	94.9	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.9	177.6	-54.7	90.8	0	0	0	107.2	W181 L183 S318 Q319 L359 K364 L367	W181-I316 HydrophobicContact CZ3-CG2 4.31Å; L183-I316 HydrophobicContact CB-CD1 4.2Å; L183-I316 HydrophobicContact CD2-CD1 3.56Å; L183-I316 HydrophobicContact CD2-CG1 4.24Å; I316-S318 VanDerWaalsContact C-N 3.3Å; I316-S318 PolarHBondContact O-N 3.25Å; I316-Q319 PolarHBondContact N-O 3.43Å; I316-Q319 WeakPolarHBondContact O-CA 3.35Å; I316-Q319 WeakPolarHBondContact O-CB 3.46Å; I316-Q319 PolarHBondContact O-N 2.96Å; I316-L359 HydrophobicContact CD1-CD1 4.2Å; I316-L359 HydrophobicContact CG1-CB 4.37Å; I316-L359 HydrophobicContact CG1-CD1 4.44Å; I316-K364 HydrophobicContact CG2-CG 4.17Å; I316-L367 HydrophobicContact CB-CD1 4.32Å; I316-L367 HydrophobicContact CG1-CD1 3.73Å; I316-L367 HydrophobicContact CG2-CD1 3.57Å
317	D	87.4	Confident	95	Very high	94 Å²	94	55.3 Å²	55.3	50%	0.503	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	50.9	-179.6	-66.3	-13.1	0	0	0	113.4	Q319 K364	D317-Q319 PolarHBondContact O-N 3.19Å; D317-K364 WeakPolarHBondContact OD2-CG 3.43Å
318	S	85.6	Confident	95	Very high	107 Å²	107	52.6 Å²	52.6	75%	0.748	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	5	-177.2	-55	0	0	0	0	116	E315 I316	E315-S318 WeakPolarHBondContact OE1-CA 3.41Å; I316-S318 VanDerWaalsContact C-N 3.3Å; I316-S318 PolarHBondContact O-N 3.25Å
319	Q	90.8	Very high	95.1	Very high	47 Å²	47	56.4 Å²	56.4	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.9	171.5	-174.1	173.6	10.5	0	0	110.2	R182 E315 I316 D317	R182-Q319 VanDerWaalsContact CG-NE2 3.32Å; E315-Q319 WeakPolarHBondContact CA-O 3.35Å; I316-Q319 PolarHBondContact N-O 3.43Å; I316-Q319 WeakPolarHBondContact O-CA 3.35Å; I316-Q319 WeakPolarHBondContact O-CB 3.46Å; I316-Q319 PolarHBondContact O-N 2.96Å; D317-Q319 PolarHBondContact O-N 3.19Å
320	K	94.3	Very high	95.2	Very high	150 Å²	150	54.7 Å²	54.7	65%	0.652	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.6	174.1	-66.4	-176.2	179.4	179.5	0	110.5	N322	K320-N322 PolarHBondContact O-N 3.19Å
321	F	96.8	Very high	95.4	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.053	23%	0.234	C	C	.	.			trans	-68.7	127.8	172.5	-169.6	-83.8	0	0	0	109.9	L183 E184 I187 L314 W323 F326	L183-F321 HydrophobicContact CD2-CD2 4.17Å; L183-F321 HydrophobicContact CD2-CE2 4.32Å; L183-F321 HydrophobicContact CG-CD2 4.47Å; L183-F321 HydrophobicContact CG-CE2 4.35Å; E184-F321 HydrophobicContact CB-CE2 4.3Å; E184-F321 HydrophobicContact CG-CD1 4.44Å; E184-F321 HydrophobicContact CG-CD2 3.64Å; E184-F321 HydrophobicContact CG-CE1 4.37Å; E184-F321 HydrophobicContact CG-CE2 3.58Å; E184-F321 HydrophobicContact CG-CG 4.08Å; E184-F321 HydrophobicContact CG-CZ 3.95Å; I187-F321 HydrophobicContact CD1-CE2 3.75Å; I187-F321 HydrophobicContact CD1-CZ 3.92Å; I187-F321 HydrophobicContact CG1-CE2 4.48Å; L314-F321 HydrophobicContact CB-CB 3.73Å; L314-F321 HydrophobicContact CB-CG 4.36Å; L314-F321 HydrophobicContact CD1-CG 4.43Å; L314-F321 PolarHBondContact O-N 3.22Å; F321-W323 AromaticContact CD1-CD2 3.94Å; F321-W323 HydrophobicContact CD1-CD2 3.94Å; F321-W323 AromaticContact CD1-CE2 3.99Å; F321-W323 HydrophobicContact CD1-CE3 4.37Å; F321-W323 HydrophobicContact CD1-CG 4.13Å; F321-W323 HydrophobicContact CD1-CZ2 4.47Å; F321-W323 AromaticContact CE1-CD2 3.73Å; F321-W323 HydrophobicContact CE1-CD2 3.73Å; F321-W323 AromaticContact CE1-CE3 3.71Å; F321-W323 HydrophobicContact CE1-CE3 3.71Å; F321-W323 HydrophobicContact CE1-CG 4.14Å; F321-W323 HydrophobicContact CE1-CH2 4.47Å; F321-W323 HydrophobicContact CE1-CZ3 4.09Å; F321-F326 HydrophobicContact CE1-CB 3.84Å; F321-F326 HydrophobicContact CE1-CD1 4.36Å; F321-F326 HydrophobicContact CE1-CG 4.13Å; F321-F326 HydrophobicContact CZ-CB 3.71Å; F321-F326 HydrophobicContact CZ-CD1 4.15Å; F321-F326 HydrophobicContact CZ-CD2 4.05Å; F321-F326 AromaticContact CZ-CG 3.69Å; F321-F326 HydrophobicContact CZ-CG 3.69Å
322	N	97.4	Very high	95.5	Very high	66 Å²	66	42.9 Å²	42.9	35%	0.353	22%	0.224	S	C	.	.			trans	-106.5	110	176.8	-177.3	-34.3	0	0	0	110.2	E184 K320 S324 Y325 F326	E184-N322 PolarHBondContact OE1-N 3.41Å; K320-N322 PolarHBondContact O-N 3.19Å; N322-S324 PolarHBondContact O-N 2.78Å; N322-S324 WeakPolarHBondContact OD1-CA 3.42Å; N322-S324 WeakPolarHBondContact OD1-CB 3.49Å; N322-S324 PolarHBondContact OD1-N 2.94Å; N322-Y325 WeakPolarHBondContact O-CB 3.28Å; N322-Y325 PolarHBondContact O-N 2.72Å; N322-Y325 PolarHBondContact OD1-N 2.74Å; N322-F326 PolarHBondContact O-N 2.89Å
323	W	98.1	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-36.1	-178.3	-61.2	88.4	0	0	0	112.4	V200 F218 L305 L308 N309 F312 L314 F321 Y325 F326 T327 F352	V200-W323 HydrophobicContact CG1-CH2 4.45Å; V200-W323 HydrophobicContact CG1-CZ3 3.77Å; V200-W323 HydrophobicContact CG2-CH2 3.94Å; V200-W323 HydrophobicContact CG2-CZ3 3.88Å; F218-W323 AromaticContact CD1-CE3 3.8Å; F218-W323 HydrophobicContact CD1-CE3 3.8Å; F218-W323 AromaticContact CD1-CZ3 3.66Å; F218-W323 HydrophobicContact CD1-CZ3 3.66Å; F218-W323 AromaticContact CE1-CE3 3.57Å; F218-W323 HydrophobicContact CE1-CE3 3.57Å; F218-W323 AromaticContact CE1-CZ3 3.87Å; F218-W323 HydrophobicContact CE1-CZ3 3.87Å; F218-W323 HydrophobicContact CZ-CE3 4.42Å; L305-W323 HydrophobicContact CD1-CB 4.07Å; L308-W323 HydrophobicContact CD2-CB 4.15Å; L308-W323 HydrophobicContact CD2-CD2 3.78Å; L308-W323 HydrophobicContact CD2-CE3 3.72Å; L308-W323 HydrophobicContact CD2-CG 4Å; L308-W323 HydrophobicContact CD2-CZ3 4.39Å; L308-W323 HydrophobicContact CG-CB 4.45Å; L308-W323 HydrophobicContact CG-CD2 3.91Å; L308-W323 HydrophobicContact CG-CE3 4.3Å; L308-W323 HydrophobicContact CG-CG 3.99Å; N309-W323 WeakPolarHBondContact OD1-CA 3.42Å; N309-W323 VanDerWaalsContact OD1-CB 3.29Å; N309-W323 WeakPolarHBondContact OD1-CB 3.49Å; N309-W323 PolarHBondContact OD1-N 2.76Å; F312-W323 HydrophobicContact CB-CZ2 4.49Å; F312-W323 PolarHBondContact O-NE1 3.26Å; L314-W323 HydrophobicContact CD1-CH2 4.06Å; L314-W323 HydrophobicContact CD1-CZ2 3.74Å; L314-W323 HydrophobicContact CG-CZ2 4.15Å; F321-W323 AromaticContact CD1-CD2 3.94Å; F321-W323 HydrophobicContact CD1-CD2 3.94Å; F321-W323 AromaticContact CD1-CE2 3.99Å; F321-W323 HydrophobicContact CD1-CE3 4.37Å; F321-W323 HydrophobicContact CD1-CG 4.13Å; F321-W323 HydrophobicContact CD1-CZ2 4.47Å; F321-W323 AromaticContact CE1-CD2 3.73Å; F321-W323 HydrophobicContact CE1-CD2 3.73Å; F321-W323 AromaticContact CE1-CE3 3.71Å; F321-W323 HydrophobicContact CE1-CE3 3.71Å; F321-W323 HydrophobicContact CE1-CG 4.14Å; F321-W323 HydrophobicContact CE1-CH2 4.47Å; F321-W323 HydrophobicContact CE1-CZ3 4.09Å; W323-Y325 VanDerWaalsContact C-N 3.32Å; W323-Y325 PolarHBondContact O-N 3.29Å; W323-F326 PolarHBondContact O-N 3.5Å; W323-T327 WeakPolarHBondContact O-CB 3.25Å; W323-T327 PolarHBondContact O-N 3.25Å; W323-T327 PolarHBondContact O-OG1 2.9Å; W323-F352 AromaticContact CH2-CD1 3.65Å; W323-F352 HydrophobicContact CH2-CD1 3.65Å; W323-F352 AromaticContact CH2-CE1 3.62Å; W323-F352 HydrophobicContact CH2-CE1 3.62Å; W323-F352 HydrophobicContact CH2-CG 4.19Å; W323-F352 HydrophobicContact CH2-CZ 4.11Å; W323-F352 HydrophobicContact CZ2-CD1 4.18Å; W323-F352 HydrophobicContact CZ2-CG 4.43Å; W323-F352 HydrophobicContact CZ3-CE1 4.33Å
324	S	98.1	Very high	95.7	Very high	20 Å²	20	41.5 Å²	41.5	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-42.9	174.9	-57.5	0	0	0	0	110.8	N309 N322 A328 E340	N309-S324 PolarHBondContact ND2-N 3.39Å; N309-S324 PolarHBondContact ND2-OG 2.8Å; N309-S324 PolarHBondContact OD1-N 2.9Å; N322-S324 PolarHBondContact O-N 2.78Å; N322-S324 WeakPolarHBondContact OD1-CA 3.42Å; N322-S324 WeakPolarHBondContact OD1-CB 3.49Å; N322-S324 PolarHBondContact OD1-N 2.94Å; S324-A328 VanDerWaalsContact O-CB 3.31Å; S324-A328 WeakPolarHBondContact O-CB 3.38Å; S324-A328 PolarHBondContact O-N 2.74Å; S324-E340 PolarHBondContact OG-OE1 3.19Å
325	Y	98.3	Very high	95.8	Very high	68 Å²	68	48.6 Å²	48.6	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-47.8	176.7	-177.5	-100.9	0	0	0	112.1	R182 E184 D185 N322 W323 T327 A328 K329	R182-Y325 VanDerWaalsContact CZ-CE1 3.47Å; R182-Y325 VanDerWaalsContact NH1-CE1 3.25Å; R182-Y325 PolarHBondContact NH1-OH 2.77Å; E184-Y325 HydrophobicContact CB-CD1 3.87Å; E184-Y325 HydrophobicContact CB-CE1 4.18Å; E184-Y325 HydrophobicContact CG-CD1 4.21Å; D185-Y325 PolarHBondContact OD1-OH 3.31Å; N322-Y325 WeakPolarHBondContact O-CB 3.28Å; N322-Y325 PolarHBondContact O-N 2.72Å; N322-Y325 PolarHBondContact OD1-N 2.74Å; W323-Y325 VanDerWaalsContact C-N 3.32Å; W323-Y325 PolarHBondContact O-N 3.29Å; Y325-T327 VanDerWaalsContact C-N 3.34Å; Y325-T327 PolarHBondContact O-N 2.79Å; Y325-A328 PolarHBondContact O-N 3.22Å; Y325-K329 HydrophobicContact CD1-CG 4.22Å; Y325-K329 HydrophobicContact CE1-CD 4.46Å; Y325-K329 HydrophobicContact CE1-CG 3.94Å; Y325-K329 VanDerWaalsContact O-CG 3.3Å; Y325-K329 WeakPolarHBondContact O-CG 3.34Å; Y325-K329 PolarHBondContact O-N 3.26Å; Y325-K329 WeakPolarHBondContact OH-CE 3.46Å; Y325-K329 PolarHBondContact OH-NZ 3.45Å; Y325-K329 VanDerWaalsContact OH-NZ 3.13Å
326	F	98.4	Very high	96.1	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-46.7	175.9	167.3	-107.6	0	0	0	111.8	E184 I187 A188 V200 F202 F218 F321 N322 W323 K329 I330	E184-F326 HydrophobicContact CB-CB 4.23Å; E184-F326 HydrophobicContact CG-CB 4.3Å; I187-F326 HydrophobicContact CD1-CD2 4.2Å; I187-F326 HydrophobicContact CD1-CE2 3.87Å; I187-F326 HydrophobicContact CD1-CZ 4.36Å; I187-F326 HydrophobicContact CG1-CD2 3.95Å; I187-F326 HydrophobicContact CG1-CE2 3.61Å; I187-F326 HydrophobicContact CG1-CZ 4.49Å; A188-F326 HydrophobicContact CB-CD2 3.87Å; A188-F326 HydrophobicContact CB-CE2 3.93Å; V200-F326 HydrophobicContact CB-CZ 4.44Å; V200-F326 HydrophobicContact CG1-CE1 3.9Å; V200-F326 HydrophobicContact CG1-CZ 4.2Å; F202-F326 HydrophobicContact CB-CE1 3.96Å; F202-F326 HydrophobicContact CB-CZ 3.96Å; F202-F326 AromaticContact CD2-CE1 3.83Å; F202-F326 HydrophobicContact CD2-CE1 3.83Å; F202-F326 HydrophobicContact CG-CE1 4.09Å; F202-F326 HydrophobicContact CG-CZ 4.34Å; F218-F326 AromaticContact CE1-CD1 3.97Å; F218-F326 HydrophobicContact CE1-CD1 3.97Å; F218-F326 AromaticContact CE1-CE1 3.82Å; F218-F326 HydrophobicContact CE1-CE1 3.82Å; F321-F326 HydrophobicContact CE1-CB 3.84Å; F321-F326 HydrophobicContact CE1-CD1 4.36Å; F321-F326 HydrophobicContact CE1-CG 4.13Å; F321-F326 HydrophobicContact CZ-CB 3.71Å; F321-F326 HydrophobicContact CZ-CD1 4.15Å; F321-F326 HydrophobicContact CZ-CD2 4.05Å; F321-F326 AromaticContact CZ-CG 3.69Å; F321-F326 HydrophobicContact CZ-CG 3.69Å; N322-F326 PolarHBondContact O-N 2.89Å; W323-F326 PolarHBondContact O-N 3.5Å; F326-K329 WeakPolarHBondContact O-CB 3.22Å; F326-K329 PolarHBondContact O-N 2.85Å; F326-I330 HydrophobicContact CD2-CD1 4.31Å; F326-I330 HydrophobicContact CE1-CD1 3.96Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.41Å; F326-I330 HydrophobicContact CZ-CD1 3.38Å; F326-I330 PolarHBondContact O-N 3.26Å
327	T	98.6	Very high	96.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-46.9	177.6	-53.5	0	0	0	0	111.3	F202 I216 F218 L305 W323 Y325 K329 I330 M331 V338	F202-T327 HydrophobicContact CE2-CG2 3.97Å; F202-T327 HydrophobicContact CZ-CG2 4.15Å; I216-T327 HydrophobicContact CD1-CG2 4.02Å; F218-T327 WeakPolarHBondContact CZ-OG1 3.39Å; L305-T327 HydrophobicContact CD2-CG2 4.38Å; W323-T327 WeakPolarHBondContact O-CB 3.25Å; W323-T327 PolarHBondContact O-N 3.25Å; W323-T327 PolarHBondContact O-OG1 2.9Å; Y325-T327 VanDerWaalsContact C-N 3.34Å; Y325-T327 PolarHBondContact O-N 2.79Å; T327-K329 VanDerWaalsContact C-N 3.31Å; T327-K329 PolarHBondContact O-N 2.95Å; T327-I330 PolarHBondContact O-N 3.3Å; T327-I330 VanDerWaalsContact O-N 3.16Å; T327-M331 HydrophobicContact CG2-CG 4.13Å; T327-M331 WeakPolarHBondContact O-CG 3.48Å; T327-M331 PolarHBondContact O-N 3.44Å; T327-V338 HydrophobicContact CG2-CB 4.05Å; T327-V338 HydrophobicContact CG2-CG1 3.86Å; T327-V338 HydrophobicContact CG2-CG2 4.17Å
328	A	98.4	Very high	96.9	Very high	27 Å²	27	49.2 Å²	49.2	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-40.4	177.7	0	0	0	0	0	111.7	S324 Y325 I330 M331 D332	S324-A328 VanDerWaalsContact O-CB 3.31Å; S324-A328 WeakPolarHBondContact O-CB 3.38Å; S324-A328 PolarHBondContact O-N 2.74Å; Y325-A328 PolarHBondContact O-N 3.22Å; A328-I330 PolarHBondContact O-N 2.65Å; A328-M331 PolarHBondContact O-N 3Å; A328-D332 WeakPolarHBondContact O-CB 3.3Å; A328-D332 PolarHBondContact O-N 3.14Å
329	K	98.2	Very high	97.5	Very high	79 Å²	79	47.2 Å²	47.2	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-29.7	177.1	-76.6	-72.2	-177	155	0	114	D185 A188 Y325 F326 T327 T333	D185-K329 WeakPolarHBondContact OD1-CE 3.35Å; D185-K329 IonicContact OD1-NZ 3.74Å; D185-K329 PolarHBondContact OD1-NZ 3.45Å; A188-K329 HydrophobicContact CB-CB 3.74Å; Y325-K329 HydrophobicContact CD1-CG 4.22Å; Y325-K329 HydrophobicContact CE1-CD 4.46Å; Y325-K329 HydrophobicContact CE1-CG 3.94Å; Y325-K329 VanDerWaalsContact O-CG 3.3Å; Y325-K329 WeakPolarHBondContact O-CG 3.34Å; Y325-K329 PolarHBondContact O-N 3.26Å; Y325-K329 WeakPolarHBondContact OH-CE 3.46Å; Y325-K329 PolarHBondContact OH-NZ 3.45Å; Y325-K329 VanDerWaalsContact OH-NZ 3.13Å; F326-K329 WeakPolarHBondContact O-CB 3.22Å; F326-K329 PolarHBondContact O-N 2.85Å; T327-K329 VanDerWaalsContact C-N 3.31Å; T327-K329 PolarHBondContact O-N 2.95Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å
330	I	98.6	Very high	97.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-84.7	-54.1	175.7	-64.6	173.5	0	0	0	110	A188 N191 W192 F202 F326 T327 A328 D332 T333 L522	A188-I330 HydrophobicContact CB-CD1 4.34Å; A188-I330 HydrophobicContact CB-CG1 3.76Å; N191-I330 HydrophobicContact CB-CD1 4.01Å; W192-I330 HydrophobicContact CB-CG2 4.16Å; F202-I330 HydrophobicContact CB-CD1 4.28Å; F202-I330 HydrophobicContact CD1-CD1 3.57Å; F202-I330 HydrophobicContact CD1-CG2 3.98Å; F202-I330 HydrophobicContact CD2-CD1 4.4Å; F202-I330 HydrophobicContact CE1-CB 4.12Å; F202-I330 HydrophobicContact CE1-CD1 3.98Å; F202-I330 HydrophobicContact CE1-CG2 3.53Å; F202-I330 HydrophobicContact CG-CD1 3.83Å; F202-I330 HydrophobicContact CZ-CG2 4.31Å; F326-I330 HydrophobicContact CD2-CD1 4.31Å; F326-I330 HydrophobicContact CE1-CD1 3.96Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.41Å; F326-I330 HydrophobicContact CZ-CD1 3.38Å; F326-I330 PolarHBondContact O-N 3.26Å; T327-I330 PolarHBondContact O-N 3.3Å; T327-I330 VanDerWaalsContact O-N 3.16Å; A328-I330 PolarHBondContact O-N 2.65Å; I330-D332 PolarHBondContact O-N 2.92Å; I330-T333 WeakPolarHBondContact O-CB 3.39Å; I330-T333 WeakPolarHBondContact O-CG2 3.43Å; I330-T333 PolarHBondContact O-N 3.17Å; I330-T333 PolarHBondContact O-OG1 3.27Å; I330-L522 HydrophobicContact CG2-CD1 3.5Å; I330-L522 VanDerWaalsContact CG2-CD1 3.5Å; I330-L522 HydrophobicContact CG2-CD2 3.78Å; I330-L522 HydrophobicContact CG2-CG 4.29Å
331	M	98.6	Very high	98	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.2	-24.6	-170.1	-61	-54.4	-53.7	0	0	113.9	F202 V204 I216 T327 A328 T333 V334 N335 I336 V338 L522 L525	F202-M331 HydrophobicContact CE1-SD 4Å; F202-M331 HydrophobicContact CZ-CG 4.12Å; F202-M331 HydrophobicContact CZ-SD 3.91Å; V204-M331 HydrophobicContact CG2-CE 4.34Å; V204-M331 HydrophobicContact CG2-SD 4.21Å; I216-M331 HydrophobicContact CD1-CG 4.5Å; T327-M331 HydrophobicContact CG2-CG 4.13Å; T327-M331 WeakPolarHBondContact O-CG 3.48Å; T327-M331 PolarHBondContact O-N 3.44Å; A328-M331 PolarHBondContact O-N 3Å; M331-T333 PolarHBondContact O-N 2.91Å; M331-V334 HydrophobicContact CE-CG2 3.92Å; M331-V334 WeakPolarHBondContact O-CG2 3.38Å; M331-V334 PolarHBondContact O-N 2.95Å; M331-V334 VanDerWaalsContact O-N 3.16Å; M331-N335 PolarHBondContact O-N 3.23Å; M331-I336 CarbonylContact C-O 3.59Å; M331-I336 HydrophobicContact CB-CB 4.46Å; M331-I336 WeakPolarHBondContact CB-O 3.35Å; M331-I336 HydrophobicContact CE-CB 4.05Å; M331-I336 HydrophobicContact CE-CD1 3.95Å; M331-I336 HydrophobicContact CE-CG2 4.22Å; M331-I336 PolarHBondContact O-N 3.3Å; M331-V338 HydrophobicContact CB-CG2 3.81Å; M331-V338 HydrophobicContact CG-CG2 3.75Å; M331-L522 HydrophobicContact CE-CB 4.3Å; M331-L522 WeakPolarHBondContact CE-O 3.32Å; M331-L522 HydrophobicContact SD-CB 4.36Å; M331-L522 HydrophobicContact SD-CD2 3.82Å; M331-L525 HydrophobicContact CE-CB 3.97Å; M331-L525 HydrophobicContact CE-CD2 3.5Å; M331-L525 HydrophobicContact CE-CG 4.37Å; M331-L525 HydrophobicContact SD-CD2 4.4Å
332	D	97.8	Very high	98.1	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-63.8	-24.1	172.8	-78.6	-11.8	0	0	0	112.2	A328 I330 V334 N335 K337	A328-D332 WeakPolarHBondContact O-CB 3.3Å; A328-D332 PolarHBondContact O-N 3.14Å; I330-D332 PolarHBondContact O-N 2.92Å; D332-V334 PolarHBondContact O-N 3.05Å; D332-N335 PolarHBondContact O-N 2.92Å; D332-K337 WeakPolarHBondContact OD1-CD 3.29Å; D332-K337 WeakPolarHBondContact OD1-CE 3.37Å; D332-K337 IonicContact OD1-NZ 3.06Å; D332-K337 PolarHBondContact OD1-NZ 3.23Å; D332-K337 IonicContact OD2-NZ 2.81Å; D332-K337 PolarHBondContact OD2-NZ 2.89Å
333	T	97.8	Very high	98.1	Very high	36 Å²	36	47.2 Å²	47.2	22%	0.221	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-67.4	-17.2	178	72.4	0	0	0	0	113.2	W192 K329 I330 M331	W192-T333 HydrophobicContact CD2-CG2 3.61Å; W192-T333 HydrophobicContact CE3-CG2 4.04Å; W192-T333 HydrophobicContact CG-CG2 3.81Å; W192-T333 HydrophobicContact CZ2-CG2 4.21Å; K329-T333 WeakPolarHBondContact O-CG2 3.16Å; I330-T333 WeakPolarHBondContact O-CB 3.39Å; I330-T333 WeakPolarHBondContact O-CG2 3.43Å; I330-T333 PolarHBondContact O-N 3.17Å; I330-T333 PolarHBondContact O-OG1 3.27Å; M331-T333 PolarHBondContact O-N 2.91Å
334	V	97.7	Very high	98.1	Very high	15 Å²	15	47.2 Å²	47.2	9%	0.091	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-117.1	18.2	174.3	-61.9	0	0	0	0	111.7	M331 D332 I336 K519 L522 Q523	M331-V334 HydrophobicContact CE-CG2 3.92Å; M331-V334 WeakPolarHBondContact O-CG2 3.38Å; M331-V334 PolarHBondContact O-N 2.95Å; M331-V334 VanDerWaalsContact O-N 3.16Å; D332-V334 PolarHBondContact O-N 3.05Å; V334-I336 VanDerWaalsContact C-N 3.26Å; V334-I336 HydrophobicContact CG2-CB 4.34Å; V334-I336 HydrophobicContact CG2-CD1 3.92Å; V334-I336 HydrophobicContact CG2-CG1 4.07Å; V334-I336 PolarHBondContact O-N 3.28Å; V334-K519 HydrophobicContact CG1-CB 4.03Å; V334-K519 HydrophobicContact CG1-CG 3.95Å; V334-L522 HydrophobicContact CG1-CB 3.98Å; V334-L522 HydrophobicContact CG2-CB 3.9Å; V334-Q523 HydrophobicContact CB-CG 3.83Å; V334-Q523 HydrophobicContact CG1-CG 3.8Å
335	N	97.9	Very high	98	Very high	152 Å²	152	46.2 Å²	46.2	81%	0.813	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	29.3	178	-55.5	-56.1	0	0	0	114.8	M331 D332	M331-N335 PolarHBondContact O-N 3.23Å; D332-N335 PolarHBondContact O-N 2.92Å
336	I	98.4	Very high	97.9	Very high	21 Å²	21	43 Å²	43	11%	0.108	23%	0.225	C	C	.	.			trans	-105	116.7	176.9	-62.4	173.7	0	0	0	109.4	M331 V334 V338 L525 R526	M331-I336 CarbonylContact C-O 3.59Å; M331-I336 HydrophobicContact CB-CB 4.46Å; M331-I336 WeakPolarHBondContact CB-O 3.35Å; M331-I336 HydrophobicContact CE-CB 4.05Å; M331-I336 HydrophobicContact CE-CD1 3.95Å; M331-I336 HydrophobicContact CE-CG2 4.22Å; M331-I336 PolarHBondContact O-N 3.3Å; V334-I336 VanDerWaalsContact C-N 3.26Å; V334-I336 HydrophobicContact CG2-CB 4.34Å; V334-I336 HydrophobicContact CG2-CD1 3.92Å; V334-I336 HydrophobicContact CG2-CG1 4.07Å; V334-I336 PolarHBondContact O-N 3.28Å; I336-V338 HydrophobicContact CG2-CG2 4.36Å; I336-L525 HydrophobicContact CD1-CB 4.18Å; I336-L525 HydrophobicContact CG2-CD2 4.12Å; I336-R526 HydrophobicContact CD1-CG 4.25Å; I336-R526 HydrophobicContact CG2-CG 4.11Å
337	K	97.8	Very high	97.5	Very high	149 Å²	149	43.9 Å²	43.9	65%	0.648	23%	0.23	S	C	*	.			trans	-81.2	131.1	172.7	-63	-63.4	174.4	-168	0	110.4	D332	D332-K337 WeakPolarHBondContact OD1-CD 3.29Å; D332-K337 WeakPolarHBondContact OD1-CE 3.37Å; D332-K337 IonicContact OD1-NZ 3.06Å; D332-K337 PolarHBondContact OD1-NZ 3.23Å; D332-K337 IonicContact OD2-NZ 2.81Å; D332-K337 PolarHBondContact OD2-NZ 2.89Å
338	V	98.1	Very high	97.1	Very high	22 Å²	22	44.7 Å²	44.7	13%	0.133	23%	0.232	C	C	.	.			trans	-116.3	108.9	179.8	-178.2	0	0	0	0	109.3	I216 L305 T327 M331 I336 E342 L525	I216-V338 HydrophobicContact CD1-CG1 4.19Å; I216-V338 HydrophobicContact CD1-CG2 4.16Å; L305-V338 HydrophobicContact CD2-CG1 3.96Å; T327-V338 HydrophobicContact CG2-CB 4.05Å; T327-V338 HydrophobicContact CG2-CG1 3.86Å; T327-V338 HydrophobicContact CG2-CG2 4.17Å; M331-V338 HydrophobicContact CB-CG2 3.81Å; M331-V338 HydrophobicContact CG-CG2 3.75Å; I336-V338 HydrophobicContact CG2-CG2 4.36Å; V338-E342 HydrophobicContact CG1-CB 3.47Å; V338-E342 VanDerWaalsContact CG1-CB 3.47Å; V338-E342 HydrophobicContact CG1-CG 3.54Å; V338-L525 HydrophobicContact CG2-CD2 4.26Å
339	P	97.8	Very high	96.8	Very high	64 Å²	64	45.2 Å²	45.2	42%	0.416	23%	0.234	S	C	.	.			trans	-76.7	164.6	177.3	33	-35.2	0	0	0	111.5	S341 E342	P339-S341 PolarHBondContact O-N 3.07Å; P339-S341 VanDerWaalsContact O-N 3.15Å; P339-E342 WeakPolarHBondContact O-CB 3.27Å; P339-E342 PolarHBondContact O-N 3.05Å
340	E	97.3	Very high	96.5	Very high	100 Å²	100	44 Å²	44	47%	0.467	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.8	176.6	-54.6	-156.4	137.3	0	0	114.1	R306 S324 E342	R306-E340 HydrophobicContact CB-CB 4.09Å; R306-E340 WeakPolarHBondContact CB-O 3.47Å; R306-E340 PolarHBondContact N-O 2.73Å; R306-E340 PolarHBondContact NE-O 2.76Å; S324-E340 PolarHBondContact OG-OE1 3.19Å; E340-E342 VanDerWaalsContact C-N 3.28Å
341	S	97.9	Very high	96.3	Very high	56 Å²	56	44 Å²	44	39%	0.392	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.7	169.9	55.8	0	0	0	0	113.6	P339 K343	P339-S341 PolarHBondContact O-N 3.07Å; P339-S341 VanDerWaalsContact O-N 3.15Å; S341-K343 PolarHBondContact O-N 2.89Å
342	E	98.4	Very high	96.1	Very high	26 Å²	26	44 Å²	44	12%	0.121	24%	0.235	C	C	.	.			trans	-56.2	133	178.6	-172.7	69.8	-162.3	0	0	110.6	I216 E304 L305 V338 P339 E340 I344 R526	I216-E342 HydrophobicContact CD1-CG 4.29Å; E304-E342 CarbonylContact C-O 3.45Å; E304-E342 VanDerWaalsContact CA-O 3.29Å; E304-E342 WeakPolarHBondContact CA-O 3.36Å; L305-E342 HydrophobicContact CB-CB 4.34Å; L305-E342 PolarHBondContact N-O 3Å; V338-E342 HydrophobicContact CG1-CB 3.47Å; V338-E342 VanDerWaalsContact CG1-CB 3.47Å; V338-E342 HydrophobicContact CG1-CG 3.54Å; P339-E342 WeakPolarHBondContact O-CB 3.27Å; P339-E342 PolarHBondContact O-N 3.05Å; E340-E342 VanDerWaalsContact C-N 3.28Å; E342-I344 HydrophobicContact CG-CG2 4.05Å; E342-R526 IonicContact OE1-CZ 3.57Å; E342-R526 IonicContact OE1-NH1 2.89Å; E342-R526 PolarHBondContact OE1-NH1 3.12Å; E342-R526 IonicContact OE1-NH2 3.79Å; E342-R526 PolarHBondContact OE1-NH2 3.25Å; E342-R526 VanDerWaalsContact OE1-NH2 3.08Å; E342-R526 IonicContact OE2-CZ 2.88Å; E342-R526 IonicContact OE2-NH1 2.72Å; E342-R526 IonicContact OE2-NH2 3.89Å; E342-R526 PolarHBondContact OE2-NH2 3.23Å
343	K	98.3	Very high	96	Very high	93 Å²	93	45.3 Å²	45.3	40%	0.404	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.6	171.3	-60.6	-65.6	170.9	-176.8	0	109.3	I215 M303 E304 S341	I215-K343 HydrophobicContact CD1-CB 4.29Å; I215-K343 WeakPolarHBondContact CG1-O 3.35Å; M303-K343 WeakPolarHBondContact O-CA 3.41Å; E304-K343 HydrophobicContact CG-CD 3.98Å; E304-K343 IonicContact OE1-NZ 2.81Å; E304-K343 PolarHBondContact OE1-NZ 3.03Å; S341-K343 PolarHBondContact O-N 2.89Å
344	I	98	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	163.3	-179.8	66.3	79.5	0	0	0	109.1	I216 F218 K302 M303 L305 L308 E342 N346	I216-I344 HydrophobicContact CB-CB 4.45Å; I216-I344 HydrophobicContact CB-CG2 3.99Å; I216-I344 HydrophobicContact CG2-CG2 4.21Å; I216-I344 CarbonylContact O-C 2.96Å; I216-I344 WeakPolarHBondContact O-CA 3.24Å; F218-I344 HydrophobicContact CD2-CB 4.17Å; F218-I344 HydrophobicContact CD2-CD1 3.99Å; F218-I344 HydrophobicContact CD2-CG1 4.21Å; F218-I344 HydrophobicContact CE2-CB 4.18Å; F218-I344 HydrophobicContact CE2-CG1 4.3Å; F218-I344 HydrophobicContact CE2-CG2 4.16Å; K302-I344 WeakPolarHBondContact CA-O 3.18Å; M303-I344 HydrophobicContact CG-CD1 3.42Å; M303-I344 VanDerWaalsContact CG-CD1 3.42Å; M303-I344 HydrophobicContact CG-CG1 4.1Å; M303-I344 PolarHBondContact N-O 3.5Å; M303-I344 PolarHBondContact O-N 3.29Å; M303-I344 HydrophobicContact SD-CD1 4.12Å; L305-I344 HydrophobicContact CB-CG2 4.46Å; L308-I344 HydrophobicContact CD2-CD1 4.34Å; E342-I344 HydrophobicContact CG-CG2 4.05Å; I344-N346 HydrophobicContact CD1-CB 4.22Å
345	I	96.9	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132	170.9	-66.1	168.3	0	0	0	108.9	I215 I216 Y217 F218 Y300 D301 K302 N347	I215-I345 HydrophobicContact CD1-CD1 4.16Å; I215-I345 HydrophobicContact CD1-CG1 3.96Å; I215-I345 HydrophobicContact CG1-CG1 4.49Å; I215-I345 HydrophobicContact CG2-CD1 3.58Å; I215-I345 HydrophobicContact CG2-CG1 4.28Å; I216-I345 PolarHBondContact O-N 3.29Å; Y217-I345 CarbonylContact C-O 3.56Å; Y217-I345 WeakPolarHBondContact CA-O 3.08Å; Y217-I345 HydrophobicContact CD1-CB 3.73Å; Y217-I345 HydrophobicContact CD1-CD1 4.31Å; Y217-I345 HydrophobicContact CD1-CG2 3.68Å; Y217-I345 HydrophobicContact CE1-CB 3.81Å; Y217-I345 HydrophobicContact CE1-CD1 3.57Å; Y217-I345 HydrophobicContact CE1-CG1 4.3Å; Y217-I345 HydrophobicContact CE1-CG2 3.64Å; Y217-I345 HydrophobicContact CE2-CD1 4.17Å; Y217-I345 HydrophobicContact CG-CB 4.33Å; Y217-I345 VanDerWaalsContact CZ-CD1 3.48Å; Y217-I345 WeakPolarHBondContact OH-CD1 3.33Å; F218-I345 PolarHBondContact N-O 2.8Å; Y300-I345 HydrophobicContact CD2-CD1 3.85Å; Y300-I345 HydrophobicContact CD2-CG1 4.49Å; Y300-I345 HydrophobicContact CE2-CD1 3.37Å; Y300-I345 HydrophobicContact CE2-CG1 4.14Å; D301-I345 WeakPolarHBondContact O-CA 3.38Å; K302-I345 HydrophobicContact CB-CG1 4.47Å; I345-N347 WeakPolarHBondContact CG2-OD1 3.41Å
346	N	94.2	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	97.5	172.4	174.2	9	0	0	0	109.7	F218 D301 M303 I344 Y348 F352	F218-N346 WeakPolarHBondContact O-CA 3.38Å; F218-N346 PolarHBondContact O-OD1 3.4Å; D301-N346 WeakPolarHBondContact CB-O 3.44Å; D301-N346 PolarHBondContact O-N 3.28Å; M303-N346 HydrophobicContact CE-CB 3.84Å; M303-N346 HydrophobicContact SD-CB 4.23Å; I344-N346 HydrophobicContact CD1-CB 4.22Å; N346-Y348 VanDerWaalsContact C-N 3.25Å; N346-Y348 PolarHBondContact O-N 3.05Å; N346-Y348 PolarHBondContact OD1-N 3.28Å; N346-F352 VanDerWaalsContact OD1-CE2 3.26Å; N346-F352 WeakPolarHBondContact OD1-CE2 3.45Å
347	N	90.2	Very high	95.6	Very high	20 Å²	20	45.6 Å²	45.6	11%	0.107	25%	0.247	C	C	.	.	S	Bend	trans	-70.8	-21.8	-174.8	-70.4	-44.8	0	0	0	113.8	F218 D219 L299 I345	F218-N347 PolarHBondContact O-N 3.28Å; D219-N347 VanDerWaalsContact OD1-CB 3.22Å; D219-N347 WeakPolarHBondContact OD1-CB 3.39Å; D219-N347 PolarHBondContact OD1-ND2 3.41Å; D219-N347 PolarHBondContact OD2-ND2 3.22Å; L299-N347 HydrophobicContact CB-CB 4.06Å; L299-N347 WeakPolarHBondContact CD2-O 3.18Å; L299-N347 VanDerWaalsContact O-CA 3.28Å; L299-N347 WeakPolarHBondContact O-CA 3.3Å; L299-N347 PolarHBondContact O-OD1 3.46Å; L299-N347 VanDerWaalsContact O-OD1 3.12Å; I345-N347 WeakPolarHBondContact CG2-OD1 3.41Å
348	Y	90.9	Very high	95.6	Very high	17 Å²	17	39 Å²	39	7%	0.067	22%	0.218	C	C	.	.			trans	-133.2	64.5	-170.3	-61.4	-86.1	0	0	0	112.1	D219 Q220 M222 D288 L299 N346 S350 Y351	D219-Y348 HydrophobicContact CB-CD2 4.17Å; D219-Y348 HydrophobicContact CB-CE2 4.45Å; Q220-Y348 HydrophobicContact CB-CD2 4.21Å; Q220-Y348 HydrophobicContact CB-CG 4.01Å; Q220-Y348 HydrophobicContact CG-CD1 4Å; Q220-Y348 HydrophobicContact CG-CD2 3.72Å; Q220-Y348 HydrophobicContact CG-CE1 4.31Å; Q220-Y348 HydrophobicContact CG-CE2 4.06Å; Q220-Y348 HydrophobicContact CG-CG 3.68Å; M222-Y348 HydrophobicContact CE-CD2 4.2Å; M222-Y348 HydrophobicContact CE-CE2 3.35Å; D288-Y348 HydrophobicContact CB-CD1 4.14Å; L299-Y348 HydrophobicContact CD1-CE1 4.48Å; L299-Y348 HydrophobicContact CD2-CD1 4.25Å; L299-Y348 HydrophobicContact CD2-CE1 3.88Å; N346-Y348 VanDerWaalsContact C-N 3.25Å; N346-Y348 PolarHBondContact O-N 3.05Å; N346-Y348 PolarHBondContact OD1-N 3.28Å; Y348-S350 VanDerWaalsContact C-N 3.3Å; Y348-S350 PolarHBondContact O-N 2.82Å; Y348-Y351 WeakPolarHBondContact O-CB 3.36Å; Y348-Y351 PolarHBondContact O-N 3.39Å; Y348-Y351 VanDerWaalsContact O-N 3.12Å
349	P	91.4	Very high	95.5	Very high	39 Å²	39	38 Å²	38	25%	0.253	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-38.4	-178.5	23.1	-33.4	0	0	0	112.8	F312 Y351 F352 V353	F312-P349 HydrophobicContact CE1-CB 3.54Å; F312-P349 VanDerWaalsContact CE1-O 3.25Å; F312-P349 WeakPolarHBondContact CE1-O 3.39Å; F312-P349 HydrophobicContact CZ-CB 3.45Å; F312-P349 VanDerWaalsContact CZ-CB 3.45Å; P349-Y351 VanDerWaalsContact C-N 3.28Å; P349-Y351 PolarHBondContact O-N 2.71Å; P349-F352 PolarHBondContact O-N 3.24Å; P349-V353 PolarHBondContact O-N 2.93Å
350	S	91.9	Very high	95.4	Very high	52 Å²	52	38.8 Å²	38.8	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-33.1	177.3	31.3	0	0	0	0	113.6	D288 Y348 V353 K354	D288-S350 WeakPolarHBondContact OD2-CB 3.45Å; D288-S350 PolarHBondContact OD2-OG 2.73Å; Y348-S350 VanDerWaalsContact C-N 3.3Å; Y348-S350 PolarHBondContact O-N 2.82Å; S350-V353 PolarHBondContact O-N 3.39Å; S350-K354 WeakPolarHBondContact O-CG 3.38Å; S350-K354 PolarHBondContact O-N 3.44Å; S350-K354 VanDerWaalsContact O-N 3.11Å
351	Y	94.6	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-49	176.5	167.1	-108.8	0	0	0	111.3	L199 Q220 I283 A286 T287 Y348 P349 V353 K354 L355	L199-Y351 VanDerWaalsContact O-CE1 3.28Å; L199-Y351 WeakPolarHBondContact O-CE1 3.12Å; L199-Y351 PolarHBondContact O-OH 3.1Å; L199-Y351 VanDerWaalsContact O-OH 3.05Å; Q220-Y351 VanDerWaalsContact CA-CD1 3.43Å; Q220-Y351 HydrophobicContact CB-CD1 3.36Å; Q220-Y351 HydrophobicContact CB-CD2 3.96Å; Q220-Y351 HydrophobicContact CB-CE1 3.78Å; Q220-Y351 HydrophobicContact CB-CE2 4.34Å; Q220-Y351 HydrophobicContact CB-CG 3.42Å; Q220-Y351 VanDerWaalsContact CB-CG 3.42Å; I283-Y351 HydrophobicContact CG2-CE2 4.43Å; A286-Y351 HydrophobicContact CB-CD2 4.22Å; A286-Y351 HydrophobicContact CB-CE2 4.23Å; T287-Y351 HydrophobicContact CG2-CD2 3.95Å; T287-Y351 HydrophobicContact CG2-CE2 3.69Å; Y348-Y351 WeakPolarHBondContact O-CB 3.36Å; Y348-Y351 PolarHBondContact O-N 3.39Å; Y348-Y351 VanDerWaalsContact O-N 3.12Å; P349-Y351 VanDerWaalsContact C-N 3.28Å; P349-Y351 PolarHBondContact O-N 2.71Å; Y351-V353 VanDerWaalsContact C-N 3.27Å; Y351-V353 PolarHBondContact O-N 3.23Å; Y351-K354 PolarHBondContact O-N 2.88Å; Y351-K354 VanDerWaalsContact O-N 3.1Å; Y351-L355 HydrophobicContact CE1-CD2 3.91Å; Y351-L355 HydrophobicContact CE2-CB 4.49Å; Y351-L355 HydrophobicContact CE2-CD1 4.39Å; Y351-L355 WeakPolarHBondContact O-CB 3.3Å; Y351-L355 PolarHBondContact O-N 3.49Å
352	F	95	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-32.3	-178.4	-64.6	-58	0	0	0	112.6	V200 F218 D219 F312 W323 N346 P349 L355 K356	V200-F352 HydrophobicContact CG1-CE1 4.49Å; V200-F352 HydrophobicContact CG2-CE1 4.19Å; F218-F352 HydrophobicContact CB-CE2 4.31Å; F218-F352 HydrophobicContact CB-CZ 4.37Å; D219-F352 WeakPolarHBondContact O-CZ 3.47Å; F312-F352 HydrophobicContact CB-CB 4.15Å; F312-F352 HydrophobicContact CD1-CB 3.89Å; F312-F352 HydrophobicContact CG-CB 4.3Å; W323-F352 AromaticContact CH2-CD1 3.65Å; W323-F352 HydrophobicContact CH2-CD1 3.65Å; W323-F352 AromaticContact CH2-CE1 3.62Å; W323-F352 HydrophobicContact CH2-CE1 3.62Å; W323-F352 HydrophobicContact CH2-CG 4.19Å; W323-F352 HydrophobicContact CH2-CZ 4.11Å; W323-F352 HydrophobicContact CZ2-CD1 4.18Å; W323-F352 HydrophobicContact CZ2-CG 4.43Å; W323-F352 HydrophobicContact CZ3-CE1 4.33Å; N346-F352 VanDerWaalsContact OD1-CE2 3.26Å; N346-F352 WeakPolarHBondContact OD1-CE2 3.45Å; P349-F352 PolarHBondContact O-N 3.24Å; F352-L355 HydrophobicContact CD1-CD2 4.32Å; F352-K356 PolarHBondContact O-N 3.3Å
353	V	94.8	Very high	95.3	Very high	90 Å²	90	39.3 Å²	39.3	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-46.2	171.6	176.3	0	0	0	0	111.3	F312 P349 S350 Y351 K356	F312-V353 HydrophobicContact CD1-CG2 3.96Å; F312-V353 HydrophobicContact CE1-CG2 4Å; P349-V353 PolarHBondContact O-N 2.93Å; S350-V353 PolarHBondContact O-N 3.39Å; Y351-V353 VanDerWaalsContact C-N 3.27Å; Y351-V353 PolarHBondContact O-N 3.23Å; V353-K356 WeakPolarHBondContact O-CB 3.48Å
354	K	96.6	Very high	95.3	Very high	93 Å²	93	36.9 Å²	36.9	40%	0.404	21%	0.212	S	C	.	.	H	α-helix	trans	-68.8	-37.6	178.4	-67.1	164.4	-174.8	172.5	0	111.9	A286 D288 S350 Y351 K356 G357 V358	A286-K354 HydrophobicContact CB-CB 3.74Å; A286-K354 WeakPolarHBondContact O-CD 3.47Å; D288-K354 IonicContact OD1-NZ 2.75Å; D288-K354 PolarHBondContact OD1-NZ 3.18Å; S350-K354 WeakPolarHBondContact O-CG 3.38Å; S350-K354 PolarHBondContact O-N 3.44Å; S350-K354 VanDerWaalsContact O-N 3.11Å; Y351-K354 PolarHBondContact O-N 2.88Å; Y351-K354 VanDerWaalsContact O-N 3.1Å; K354-K356 PolarHBondContact O-N 3.16Å; K354-G357 PolarHBondContact O-N 3.16Å; K354-V358 PolarHBondContact O-N 3.43Å
355	L	96.6	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-35.5	-179.1	-174.1	63.5	0	0	0	111.6	L199 I283 L314 Y351 F352 G357 V358 L359	L199-L355 HydrophobicContact CD2-CD1 4.35Å; I283-L355 HydrophobicContact CG1-CD1 4.43Å; L314-L355 HydrophobicContact CD1-CD2 4.1Å; L314-L355 HydrophobicContact CD2-CB 4.22Å; L314-L355 HydrophobicContact CD2-CD2 4.32Å; L314-L355 HydrophobicContact CD2-CG 4.27Å; Y351-L355 HydrophobicContact CE1-CD2 3.91Å; Y351-L355 HydrophobicContact CE2-CB 4.49Å; Y351-L355 HydrophobicContact CE2-CD1 4.39Å; Y351-L355 WeakPolarHBondContact O-CB 3.3Å; Y351-L355 PolarHBondContact O-N 3.49Å; F352-L355 HydrophobicContact CD1-CD2 4.32Å; L355-G357 VanDerWaalsContact C-N 3.27Å; L355-G357 PolarHBondContact O-N 2.94Å; L355-V358 HydrophobicContact CD1-CB 4.37Å; L355-V358 WeakPolarHBondContact O-CA 3.2Å; L355-V358 WeakPolarHBondContact O-CB 3.11Å; L355-V358 PolarHBondContact O-N 3.45Å; L355-L359 HydrophobicContact CD1-CD2 4.4Å; L355-L359 HydrophobicContact CD1-CG 4.26Å; L355-L359 HydrophobicContact CD2-CD1 4.47Å; L355-L359 HydrophobicContact CG-CD1 4.08Å; L355-L359 HydrophobicContact CG-CG 4.1Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.48Å
356	K	96.1	Very high	95.3	Very high	93 Å²	93	39.8 Å²	39.8	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-51.2	-46.9	172.3	-176.4	-177.1	-175	161.7	0	112.4	T313 L314 F352 V353 K354 V358 A360	T313-K356 VanDerWaalsContact O-CD 3.28Å; T313-K356 WeakPolarHBondContact O-CD 3.36Å; T313-K356 WeakPolarHBondContact O-CG 3.22Å; T313-K356 PolarHBondContact OG1-NZ 3.09Å; L314-K356 HydrophobicContact CD2-CB 4.16Å; F352-K356 PolarHBondContact O-N 3.3Å; V353-K356 WeakPolarHBondContact O-CB 3.48Å; K354-K356 PolarHBondContact O-N 3.16Å; K356-V358 VanDerWaalsContact C-N 3.31Å; K356-V358 PolarHBondContact O-N 3.41Å; K356-A360 PolarHBondContact O-N 2.93Å
357	G	95.8	Very high	95.5	Very high	44 Å²	44	39.8 Å²	39.8	45%	0.454	22%	0.224	S	C	.	.	H	α-helix	trans	-71	-26.5	179.3	0	0	0	0	0	113.4	K354 L355	K354-G357 PolarHBondContact O-N 3.16Å; L355-G357 VanDerWaalsContact C-N 3.27Å; L355-G357 PolarHBondContact O-N 2.94Å
358	V	97.1	Very high	95.9	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-70.8	-54.6	172.5	174.3	0	0	0	0	110	L279 D282 I283 A286 K354 L355 K356 A360 K361 Y362	L279-V358 HydrophobicContact CD1-CG1 4.02Å; D282-V358 HydrophobicContact CB-CB 4.49Å; D282-V358 HydrophobicContact CB-CG1 3.71Å; D282-V358 HydrophobicContact CB-CG2 4.08Å; I283-V358 HydrophobicContact CG1-CG1 4.07Å; A286-V358 HydrophobicContact CB-CG2 3.99Å; K354-V358 PolarHBondContact O-N 3.43Å; L355-V358 HydrophobicContact CD1-CB 4.37Å; L355-V358 WeakPolarHBondContact O-CA 3.2Å; L355-V358 WeakPolarHBondContact O-CB 3.11Å; L355-V358 PolarHBondContact O-N 3.45Å; K356-V358 VanDerWaalsContact C-N 3.31Å; K356-V358 PolarHBondContact O-N 3.41Å; V358-A360 PolarHBondContact O-N 3.27Å; V358-K361 WeakPolarHBondContact O-CB 3.41Å; V358-K361 PolarHBondContact O-N 3.44Å; V358-Y362 HydrophobicContact CG1-CD2 4.36Å; V358-Y362 HydrophobicContact CG1-CE2 4.07Å; V358-Y362 WeakPolarHBondContact O-CD2 3.27Å
359	L	96.8	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-33.8	-175.3	-64.8	177.7	0	0	0	112.9	L199 L314 I316 L355 K361 Y362 L367	L199-L359 HydrophobicContact CD1-CD2 4.39Å; L314-L359 HydrophobicContact CB-CD1 3.99Å; L314-L359 HydrophobicContact CD1-CD1 4.18Å; L314-L359 HydrophobicContact CD2-CD1 4.12Å; L314-L359 HydrophobicContact CG-CD1 4.32Å; I316-L359 HydrophobicContact CD1-CD1 4.2Å; I316-L359 HydrophobicContact CG1-CB 4.37Å; I316-L359 HydrophobicContact CG1-CD1 4.44Å; L355-L359 HydrophobicContact CD1-CD2 4.4Å; L355-L359 HydrophobicContact CD1-CG 4.26Å; L355-L359 HydrophobicContact CD2-CD1 4.47Å; L355-L359 HydrophobicContact CG-CD1 4.08Å; L355-L359 HydrophobicContact CG-CG 4.1Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.48Å; L359-K361 PolarHBondContact O-N 2.98Å; L359-K361 VanDerWaalsContact O-N 3.09Å; L359-Y362 PolarHBondContact O-N 3.35Å; L359-L367 HydrophobicContact CD2-CD1 4.28Å; L359-L367 HydrophobicContact CD2-CD2 3.55Å
360	A	95.6	Very high	96.6	Very high	82 Å²	82	36.3 Å²	36.3	68%	0.678	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-15	176.9	0	0	0	0	0	114.9	K356 V358	K356-A360 PolarHBondContact O-N 2.93Å; V358-A360 PolarHBondContact O-N 3.27Å
361	K	96.6	Very high	96.8	Very high	118 Å²	118	33.8 Å²	33.8	51%	0.513	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-12.8	179.4	-59.1	172.3	-177.3	178.6	0	113.9	D282 V358 L359	D282-K361 IonicContact OD1-NZ 3.53Å; D282-K361 PolarHBondContact OD1-NZ 2.87Å; D282-K361 WeakPolarHBondContact OD2-CD 3.25Å; D282-K361 IonicContact OD2-NZ 2.88Å; D282-K361 PolarHBondContact OD2-NZ 3.46Å; V358-K361 WeakPolarHBondContact O-CB 3.41Å; V358-K361 PolarHBondContact O-N 3.44Å; L359-K361 PolarHBondContact O-N 2.98Å; L359-K361 VanDerWaalsContact O-N 3.09Å
362	Y	97.3	Very high	97	Very high	18 Å²	18	33.8 Å²	33.8	7%	0.071	19%	0.187	C	C	.	.	S	Bend	trans	-124.2	148.7	-167.6	-62.3	-83	0	0	0	111.1	D278 L279 D282 V358 L359 D366	D278-Y362 VanDerWaalsContact C-OH 3.25Å; D278-Y362 PolarHBondContact O-OH 2.9Å; L279-Y362 WeakPolarHBondContact CA-OH 3.32Å; L279-Y362 HydrophobicContact CB-CD1 3.89Å; L279-Y362 HydrophobicContact CB-CD2 4.46Å; L279-Y362 HydrophobicContact CB-CE1 3.58Å; L279-Y362 HydrophobicContact CB-CE2 4.2Å; L279-Y362 HydrophobicContact CB-CG 4.34Å; L279-Y362 HydrophobicContact CD1-CD1 4.29Å; L279-Y362 HydrophobicContact CD1-CD2 3.49Å; L279-Y362 VanDerWaalsContact CD1-CD2 3.49Å; L279-Y362 HydrophobicContact CD1-CE1 4.41Å; L279-Y362 HydrophobicContact CD1-CE2 3.64Å; L279-Y362 HydrophobicContact CD1-CG 3.85Å; L279-Y362 HydrophobicContact CG-CD1 4.45Å; L279-Y362 HydrophobicContact CG-CD2 4.46Å; L279-Y362 HydrophobicContact CG-CE1 4.5Å; L279-Y362 HydrophobicContact CG-CG 4.45Å; L279-Y362 PolarHBondContact N-OH 3.45Å; D282-Y362 HydrophobicContact CB-CE2 4.32Å; D282-Y362 WeakPolarHBondContact OD2-CE2 3.27Å; D282-Y362 PolarHBondContact OD2-OH 2.88Å; V358-Y362 HydrophobicContact CG1-CD2 4.36Å; V358-Y362 HydrophobicContact CG1-CE2 4.07Å; V358-Y362 WeakPolarHBondContact O-CD2 3.27Å; L359-Y362 PolarHBondContact O-N 3.35Å; Y362-D366 HydrophobicContact CD1-CB 4.08Å
363	T	96.8	Very high	97.2	Very high	57 Å²	57	33.8 Å²	33.8	35%	0.35	19%	0.187	S	C	.	.			trans	-87.6	169.5	178.9	70.8	0	0	0	0	110.9	R365 D366 L367	T363-R365 PolarHBondContact O-N 2.94Å; T363-R365 PolarHBondContact OG1-N 2.99Å; T363-D366 WeakPolarHBondContact CB-OD2 3.31Å; T363-D366 PolarHBondContact N-OD2 3.03Å; T363-D366 PolarHBondContact O-N 2.66Å; T363-D366 PolarHBondContact OG1-N 2.6Å; T363-D366 PolarHBondContact OG1-OD2 2.98Å; T363-L367 WeakPolarHBondContact O-CG 3.5Å; T363-L367 PolarHBondContact O-N 2.99Å; T363-L367 VanDerWaalsContact O-N 3.1Å
364	K	97.3	Very high	97.3	Very high	41 Å²	41	29.9 Å²	29.9	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-51.3	-40.4	169.3	-64	177.7	-176.3	-166.2	0	112.7	W173 W181 I316 D317 L367 Q368	W173-K364 HydrophobicContact CH2-CB 4.19Å; W173-K364 HydrophobicContact CZ3-CB 4.32Å; W181-K364 HydrophobicContact CD2-CB 4.23Å; W181-K364 HydrophobicContact CD2-CD 4.49Å; W181-K364 HydrophobicContact CD2-CG 4.36Å; W181-K364 HydrophobicContact CE3-CB 3.85Å; W181-K364 HydrophobicContact CE3-CD 3.7Å; W181-K364 HydrophobicContact CE3-CG 3.52Å; W181-K364 HydrophobicContact CH2-CB 4.49Å; W181-K364 HydrophobicContact CH2-CG 4.45Å; W181-K364 HydrophobicContact CZ3-CB 4Å; W181-K364 HydrophobicContact CZ3-CD 4.23Å; W181-K364 HydrophobicContact CZ3-CG 3.59Å; I316-K364 HydrophobicContact CG2-CG 4.17Å; D317-K364 WeakPolarHBondContact OD2-CG 3.43Å; K364-L367 PolarHBondContact O-N 3.2Å; K364-Q368 VanDerWaalsContact O-CB 3.27Å; K364-Q368 WeakPolarHBondContact O-CB 3.4Å; K364-Q368 PolarHBondContact O-N 3.3Å
365	R	97.6	Very high	97.3	Very high	50 Å²	50	25.5 Å²	25.5	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-63.5	-45.4	179.9	-169.1	-166.4	-179.4	76.9	2.9	111.6	P167 W173 E174 E272 T363 Q368 N369	P167-R365 VanDerWaalsContact C-NH2 3.32Å; P167-R365 HydrophobicContact CB-CG 3.62Å; P167-R365 HydrophobicContact CG-CG 4.09Å; P167-R365 PolarHBondContact O-NH2 2.76Å; W173-R365 HydrophobicContact CE3-CB 4.3Å; W173-R365 HydrophobicContact CE3-CG 4.27Å; W173-R365 HydrophobicContact CZ3-CB 4.14Å; E174-R365 VanDerWaalsContact OE1-CD 3.24Å; E174-R365 WeakPolarHBondContact OE1-CD 3.45Å; E174-R365 IonicContact OE1-CZ 3.47Å; E174-R365 IonicContact OE1-NE 3.5Å; E174-R365 IonicContact OE1-NH1 3.3Å; E174-R365 PolarHBondContact OE1-NH1 3.09Å; E174-R365 IonicContact OE2-NH1 3.64Å; E174-R365 PolarHBondContact OE2-NH1 3.22Å; E272-R365 IonicContact OE1-CZ 3.45Å; E272-R365 IonicContact OE1-NE 3.68Å; E272-R365 PolarHBondContact OE1-NE 2.77Å; E272-R365 IonicContact OE1-NH2 2.68Å; E272-R365 PolarHBondContact OE1-NH2 3.46Å; E272-R365 IonicContact OE2-CZ 2.84Å; E272-R365 IonicContact OE2-NE 2.87Å; E272-R365 PolarHBondContact OE2-NE 3.48Å; E272-R365 IonicContact OE2-NH2 2.69Å; E272-R365 PolarHBondContact OE2-NH2 2.82Å; T363-R365 PolarHBondContact O-N 2.94Å; T363-R365 PolarHBondContact OG1-N 2.99Å; R365-Q368 PolarHBondContact O-N 3.5Å; R365-N369 WeakPolarHBondContact O-CB 3.34Å; R365-N369 PolarHBondContact O-N 3.38Å; R365-N369 PolarHBondContact O-ND2 3.2Å
366	D	98.1	Very high	97.3	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-44.3	-179.9	-54.5	-71.3	0	0	0	111.4	R275 Y362 T363 N369 Y370	R275-D366 IonicContact CZ-OD1 3.35Å; R275-D366 IonicContact CZ-OD2 3.7Å; R275-D366 IonicContact NE-OD1 3.63Å; R275-D366 PolarHBondContact NE-OD1 2.85Å; R275-D366 IonicContact NE-OD2 3.23Å; R275-D366 IonicContact NH2-OD1 2.73Å; R275-D366 PolarHBondContact NH2-OD1 3.3Å; R275-D366 IonicContact NH2-OD2 3.72Å; R275-D366 PolarHBondContact NH2-OD2 2.72Å; Y362-D366 HydrophobicContact CD1-CB 4.08Å; T363-D366 WeakPolarHBondContact CB-OD2 3.31Å; T363-D366 PolarHBondContact N-OD2 3.03Å; T363-D366 PolarHBondContact O-N 2.66Å; T363-D366 PolarHBondContact OG1-N 2.6Å; T363-D366 PolarHBondContact OG1-OD2 2.98Å; D366-N369 PolarHBondContact O-N 3.3Å; D366-Y370 PolarHBondContact O-N 3.03Å
367	L	98.1	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-45.2	177	-67	171.6	0	0	0	110.8	W181 L279 I316 L359 T363 K364 N369 Y370 V371	W181-L367 HydrophobicContact CH2-CB 4.18Å; W181-L367 HydrophobicContact CH2-CD1 4.15Å; W181-L367 HydrophobicContact CZ2-CB 4.3Å; L279-L367 HydrophobicContact CD1-CD2 4.16Å; L279-L367 HydrophobicContact CD2-CD2 3.85Å; I316-L367 HydrophobicContact CB-CD1 4.32Å; I316-L367 HydrophobicContact CG1-CD1 3.73Å; I316-L367 HydrophobicContact CG2-CD1 3.57Å; L359-L367 HydrophobicContact CD2-CD1 4.28Å; L359-L367 HydrophobicContact CD2-CD2 3.55Å; T363-L367 WeakPolarHBondContact O-CG 3.5Å; T363-L367 PolarHBondContact O-N 2.99Å; T363-L367 VanDerWaalsContact O-N 3.1Å; K364-L367 PolarHBondContact O-N 3.2Å; L367-N369 PolarHBondContact O-N 3.16Å; L367-Y370 PolarHBondContact O-N 3.4Å; L367-V371 WeakPolarHBondContact O-CG1 3.43Å; L367-V371 WeakPolarHBondContact O-CG2 3.09Å; L367-V371 PolarHBondContact O-N 3.36Å
368	Q	98.3	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-44.7	177.4	-177.9	64.9	12.8	0	0	111.6	I163 E165 P167 W173 K364 R365 Y370 V371 V372	I163-Q368 PolarHBondContact O-NE2 3.21Å; E165-Q368 PolarHBondContact O-NE2 3.11Å; P167-Q368 VanDerWaalsContact CD-CG 3.49Å; P167-Q368 HydrophobicContact CG-CB 3.76Å; P167-Q368 HydrophobicContact CG-CG 3.56Å; W173-Q368 HydrophobicContact CH2-CB 3.94Å; W173-Q368 HydrophobicContact CH2-CG 4.28Å; W173-Q368 HydrophobicContact CZ2-CB 3.65Å; W173-Q368 HydrophobicContact CZ2-CG 3.47Å; W173-Q368 VanDerWaalsContact CZ2-CG 3.47Å; K364-Q368 VanDerWaalsContact O-CB 3.27Å; K364-Q368 WeakPolarHBondContact O-CB 3.4Å; K364-Q368 PolarHBondContact O-N 3.3Å; R365-Q368 PolarHBondContact O-N 3.5Å; Q368-Y370 VanDerWaalsContact C-N 3.27Å; Q368-Y370 PolarHBondContact O-N 2.97Å; Q368-V371 WeakPolarHBondContact O-CG2 3.33Å; Q368-V371 PolarHBondContact O-N 2.93Å; Q368-V372 HydrophobicContact CG-CG2 4.28Å; Q368-V372 WeakPolarHBondContact O-CB 3.45Å; Q368-V372 VanDerWaalsContact O-CG2 3.31Å; Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.47Å
369	N	98.6	Very high	97.1	Very high	2 Å²	2	24 Å²	24	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-42.5	175.9	-89.5	-37.9	0	0	0	112.1	W166 P167 M168 E272 V276 R365 D366 L367 W373	W166-N369 PolarHBondContact NE1-O 2.72Å; W166-N369 VanDerWaalsContact NE1-O 3.12Å; W166-N369 PolarHBondContact NE1-OD1 3.22Å; P167-N369 WeakPolarHBondContact CB-OD1 3.27Å; P167-N369 VanDerWaalsContact CD-OD1 3.31Å; P167-N369 WeakPolarHBondContact CD-OD1 3.25Å; M168-N369 HydrophobicContact CE-CB 3.77Å; M168-N369 WeakPolarHBondContact CE-OD1 3.43Å; M168-N369 PolarHBondContact N-OD1 2.81Å; E272-N369 PolarHBondContact OE2-ND2 3.09Å; V276-N369 HydrophobicContact CG2-CB 3.54Å; R365-N369 WeakPolarHBondContact O-CB 3.34Å; R365-N369 PolarHBondContact O-N 3.38Å; R365-N369 PolarHBondContact O-ND2 3.2Å; D366-N369 PolarHBondContact O-N 3.3Å; L367-N369 PolarHBondContact O-N 3.16Å; N369-W373 WeakPolarHBondContact O-CB 3.48Å; N369-W373 PolarHBondContact O-N 3.27Å
370	Y	98.5	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-52.1	177	170	-107.3	0	0	0	112.9	L199 Q221 V276 L279 E280 I283 D366 L367 Q368 V372 W373 R374	L199-Y370 HydrophobicContact CD2-CD1 4.43Å; L199-Y370 HydrophobicContact CD2-CE1 3.9Å; L199-Y370 HydrophobicContact CG-CE1 4.31Å; Q221-Y370 PolarHBondContact NE2-OH 3.24Å; Q221-Y370 PolarHBondContact OE1-OH 3.42Å; V276-Y370 HydrophobicContact CG1-CD2 4.03Å; L279-Y370 HydrophobicContact CD2-CD1 4.17Å; L279-Y370 HydrophobicContact CD2-CG 3.87Å; L279-Y370 HydrophobicContact CG-CG 4.32Å; E280-Y370 HydrophobicContact CB-CD2 4.25Å; E280-Y370 HydrophobicContact CB-CE2 3.75Å; E280-Y370 HydrophobicContact CG-CE2 3.72Å; I283-Y370 HydrophobicContact CD1-CD1 4.06Å; I283-Y370 HydrophobicContact CD1-CE1 3.44Å; I283-Y370 VanDerWaalsContact CD1-CE1 3.44Å; I283-Y370 HydrophobicContact CD1-CE2 4.25Å; D366-Y370 PolarHBondContact O-N 3.03Å; L367-Y370 PolarHBondContact O-N 3.4Å; Q368-Y370 VanDerWaalsContact C-N 3.27Å; Q368-Y370 PolarHBondContact O-N 2.97Å; Y370-V372 VanDerWaalsContact C-N 3.31Å; Y370-V372 PolarHBondContact O-N 3.46Å; Y370-W373 WeakPolarHBondContact O-CB 3.37Å; Y370-W373 PolarHBondContact O-N 3.31Å; Y370-R374 HydrophobicContact CD2-CG 4.05Å; Y370-R374 HydrophobicContact CE1-CG 4.32Å; Y370-R374 HydrophobicContact CE2-CG 3.65Å; Y370-R374 VanDerWaalsContact O-CG 3.3Å; Y370-R374 WeakPolarHBondContact O-CG 3.02Å; Y370-R374 PolarHBondContact O-N 3.49Å
371	V	97.4	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-38.1	-176	-60.6	0	0	0	0	111.8	V186 I187 L190 V198 L199 L367 Q368	V186-V371 HydrophobicContact CG1-CG2 3.81Å; I187-V371 HydrophobicContact CG2-CG1 4.13Å; L190-V371 HydrophobicContact CD1-CB 3.84Å; L190-V371 HydrophobicContact CD1-CG2 4.2Å; V198-V371 HydrophobicContact CB-CG1 4.29Å; V198-V371 HydrophobicContact CG2-CB 3.85Å; V198-V371 HydrophobicContact CG2-CG1 3.62Å; L199-V371 HydrophobicContact CD1-CG1 4.35Å; L367-V371 WeakPolarHBondContact O-CG1 3.43Å; L367-V371 WeakPolarHBondContact O-CG2 3.09Å; L367-V371 PolarHBondContact O-N 3.36Å; Q368-V371 WeakPolarHBondContact O-CG2 3.33Å; Q368-V371 PolarHBondContact O-N 2.93Å
372	V	98.2	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.9	-43.8	175.2	178.1	0	0	0	0	110.8	L160 I163 E165 W166 Q368 Y370 R374 F375 V376	L160-V372 HydrophobicContact CD2-CG1 3.8Å; I163-V372 HydrophobicContact CD1-CG1 4.2Å; I163-V372 HydrophobicContact CD1-CG2 4.05Å; I163-V372 HydrophobicContact CG1-CG2 4.45Å; E165-V372 WeakPolarHBondContact O-CG2 3.34Å; W166-V372 HydrophobicContact CB-CB 4.36Å; W166-V372 HydrophobicContact CB-CG1 3.61Å; W166-V372 HydrophobicContact CD2-CG1 4.2Å; W166-V372 HydrophobicContact CG-CB 4.07Å; W166-V372 HydrophobicContact CG-CG1 3.55Å; Q368-V372 HydrophobicContact CG-CG2 4.28Å; Q368-V372 WeakPolarHBondContact O-CB 3.45Å; Q368-V372 VanDerWaalsContact O-CG2 3.31Å; Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.47Å; Y370-V372 VanDerWaalsContact C-N 3.31Å; Y370-V372 PolarHBondContact O-N 3.46Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 2.96Å; V372-F375 WeakPolarHBondContact O-CB 3.46Å; V372-F375 PolarHBondContact O-N 3.13Å; V372-V376 HydrophobicContact CG1-CG1 3.67Å; V372-V376 WeakPolarHBondContact O-CG1 3.11Å; V372-V376 WeakPolarHBondContact O-CG2 3.18Å; V372-V376 PolarHBondContact O-N 3.18Å
373	W	98.3	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.4	-49	176.3	166.7	-114.6	0	0	0	112.2	W166 Y245 F248 M249 L252 N369 Y370 F375 V376 M377	W166-W373 AromaticContact CH2-CE3 3.84Å; W166-W373 HydrophobicContact CH2-CE3 3.84Å; W166-W373 HydrophobicContact CH2-CZ3 4.27Å; W166-W373 HydrophobicContact CZ2-CB 4.15Å; W166-W373 HydrophobicContact CZ2-CD2 4.49Å; W166-W373 AromaticContact CZ2-CE3 3.78Å; W166-W373 HydrophobicContact CZ2-CE3 3.78Å; Y245-W373 HydrophobicContact CD2-CZ2 4.01Å; Y245-W373 AromaticContact CE2-CE2 3.73Å; Y245-W373 AromaticContact CE2-CZ2 3.54Å; Y245-W373 HydrophobicContact CE2-CZ2 3.54Å; Y245-W373 AromaticContact CE2-NE1 3.33Å; Y245-W373 VanDerWaalsContact CE2-NE1 3.33Å; Y245-W373 AromaticContact CZ-NE1 3.2Å; Y245-W373 PolarHBondContact OH-NE1 3.35Å; F248-W373 HydrophobicContact CB-CH2 4.2Å; F248-W373 AromaticContact CD1-CH2 3.43Å; F248-W373 HydrophobicContact CD1-CH2 3.43Å; F248-W373 VanDerWaalsContact CD1-CH2 3.43Å; F248-W373 AromaticContact CD1-CZ2 3.85Å; F248-W373 HydrophobicContact CD1-CZ2 3.85Å; F248-W373 AromaticContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CH2 3.9Å; F248-W373 HydrophobicContact CD2-CZ3 4.49Å; F248-W373 AromaticContact CE1-CH2 3.6Å; F248-W373 HydrophobicContact CE1-CH2 3.6Å; F248-W373 HydrophobicContact CE1-CZ2 4.1Å; F248-W373 HydrophobicContact CE1-CZ3 4.47Å; F248-W373 HydrophobicContact CE2-CH2 4.02Å; F248-W373 HydrophobicContact CE2-CZ3 4.36Å; F248-W373 AromaticContact CG-CH2 3.58Å; F248-W373 HydrophobicContact CG-CH2 3.58Å; F248-W373 HydrophobicContact CG-CZ2 4.32Å; F248-W373 AromaticContact CZ-CH2 3.87Å; F248-W373 HydrophobicContact CZ-CH2 3.87Å; F248-W373 HydrophobicContact CZ-CZ3 4.35Å; M249-W373 VanDerWaalsContact CA-CH2 3.42Å; M249-W373 VanDerWaalsContact CA-CZ3 3.46Å; M249-W373 HydrophobicContact CB-CD2 4.22Å; M249-W373 HydrophobicContact CB-CE3 4.09Å; M249-W373 HydrophobicContact CB-CH2 3.71Å; M249-W373 HydrophobicContact CB-CZ2 3.86Å; M249-W373 HydrophobicContact CB-CZ3 3.86Å; M249-W373 HydrophobicContact CE-CD2 3.85Å; M249-W373 HydrophobicContact CE-CG 3.74Å; M249-W373 HydrophobicContact CE-CZ2 4.3Å; M249-W373 HydrophobicContact CG-CD2 3.73Å; M249-W373 HydrophobicContact CG-CE3 3.66Å; M249-W373 HydrophobicContact CG-CG 4.28Å; M249-W373 HydrophobicContact CG-CH2 4.22Å; M249-W373 HydrophobicContact CG-CZ2 4.31Å; M249-W373 HydrophobicContact CG-CZ3 3.92Å; M249-W373 HydrophobicContact SD-CD2 4.37Å; M249-W373 HydrophobicContact SD-CG 4.36Å; L252-W373 HydrophobicContact CD2-CE3 4.46Å; L252-W373 HydrophobicContact CD2-CZ3 3.86Å; N369-W373 WeakPolarHBondContact O-CB 3.48Å; N369-W373 PolarHBondContact O-N 3.27Å; Y370-W373 WeakPolarHBondContact O-CB 3.37Å; Y370-W373 PolarHBondContact O-N 3.31Å; W373-F375 PolarHBondContact O-N 3.05Å; W373-F375 VanDerWaalsContact O-N 3.13Å; W373-V376 HydrophobicContact CE3-CG2 3.92Å; W373-V376 HydrophobicContact CZ3-CG2 4.5Å; W373-V376 PolarHBondContact O-N 3.42Å; W373-M377 HydrophobicContact CD2-CB 4.19Å; W373-M377 HydrophobicContact CD2-SD 4.49Å; W373-M377 HydrophobicContact CE3-CB 4.09Å; W373-M377 HydrophobicContact CH2-CB 3.81Å; W373-M377 HydrophobicContact CZ2-CB 3.89Å; W373-M377 HydrophobicContact CZ2-CE 4.46Å; W373-M377 HydrophobicContact CZ2-SD 4.06Å; W373-M377 HydrophobicContact CZ3-CB 3.89Å; W373-M377 WeakPolarHBondContact O-CB 3.14Å; W373-M377 VanDerWaalsContact O-CG 3.25Å; W373-M377 WeakPolarHBondContact O-CG 3.5Å; W373-M377 PolarHBondContact O-N 2.88Å
374	R	97.2	Very high	96.7	Very high	7 Å²	7	16 Å²	16	3%	0.026	7%	0.073	C	C	.	.	H	α-helix	trans	-58	-28.2	-179.7	-69.7	-60	-58.3	137.4	-4.2	113.4	V198 S223 F224 E280 Y370 V372 M377	V198-R374 HydrophobicContact CG1-CB 3.57Å; V198-R374 HydrophobicContact CG1-CG 3.83Å; S223-R374 VanDerWaalsContact C-NH2 3.34Å; S223-R374 PolarHBondContact O-NH2 3.35Å; S223-R374 PolarHBondContact OG-NH2 3.47Å; F224-R374 VanDerWaalsContact C-NH1 3.27Å; F224-R374 VanDerWaalsContact CA-NH2 3.33Å; F224-R374 PolarHBondContact O-NH1 3.29Å; F224-R374 PolarHBondContact O-NH2 3.49Å; E280-R374 WeakPolarHBondContact OE1-CD 3.47Å; E280-R374 IonicContact OE1-NE 3.77Å; Y370-R374 HydrophobicContact CD2-CG 4.05Å; Y370-R374 HydrophobicContact CE1-CG 4.32Å; Y370-R374 HydrophobicContact CE2-CG 3.65Å; Y370-R374 VanDerWaalsContact O-CG 3.3Å; Y370-R374 WeakPolarHBondContact O-CG 3.02Å; Y370-R374 PolarHBondContact O-N 3.49Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 2.96Å; R374-M377 PolarHBondContact NH1-SD 2.91Å
375	F	96.3	Very high	96.6	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-85.8	-55.2	175.1	170.8	-122.4	0	0	0	112.4	M159 I163 L190 Y194 T196 V372 W373 M377 K378 M379 L511	M159-F375 HydrophobicContact CE-CE1 3.24Å; M159-F375 HydrophobicContact CE-CZ 3.34Å; M159-F375 HydrophobicContact SD-CE1 3.53Å; M159-F375 VanDerWaalsContact SD-CE1 3.53Å; M159-F375 HydrophobicContact SD-CZ 3.86Å; I163-F375 HydrophobicContact CD1-CD1 3.53Å; I163-F375 HydrophobicContact CD1-CE1 3.81Å; L190-F375 HydrophobicContact CD2-CB 3.94Å; L190-F375 HydrophobicContact CD2-CD1 4.18Å; L190-F375 HydrophobicContact CD2-CD2 4.48Å; L190-F375 HydrophobicContact CD2-CG 3.97Å; Y194-F375 AromaticContact CD1-CE2 3.96Å; Y194-F375 HydrophobicContact CD1-CE2 3.96Å; Y194-F375 AromaticContact CD1-CZ 3.6Å; Y194-F375 HydrophobicContact CD1-CZ 3.6Å; Y194-F375 HydrophobicContact CE1-CZ 4.15Å; Y194-F375 AromaticContact CG-CE2 3.97Å; Y194-F375 HydrophobicContact CG-CE2 3.97Å; Y194-F375 AromaticContact CG-CZ 3.84Å; Y194-F375 HydrophobicContact CG-CZ 3.84Å; T196-F375 HydrophobicContact CG2-CB 4.06Å; T196-F375 WeakPolarHBondContact OG1-CD2 3.3Å; V372-F375 WeakPolarHBondContact O-CB 3.46Å; V372-F375 PolarHBondContact O-N 3.13Å; W373-F375 PolarHBondContact O-N 3.05Å; W373-F375 VanDerWaalsContact O-N 3.13Å; F375-M377 PolarHBondContact O-N 3.4Å; F375-K378 WeakPolarHBondContact O-CB 3.24Å; F375-K378 PolarHBondContact O-N 3.23Å; F375-M379 HydrophobicContact CD1-CG 4.4Å; F375-M379 HydrophobicContact CD2-CG 3.75Å; F375-M379 HydrophobicContact CD2-SD 4.31Å; F375-M379 HydrophobicContact CE1-CG 4.06Å; F375-M379 HydrophobicContact CE2-CG 3.29Å; F375-M379 HydrophobicContact CE2-SD 3.54Å; F375-M379 VanDerWaalsContact CE2-SD 3.54Å; F375-M379 HydrophobicContact CG-CG 4.29Å; F375-M379 HydrophobicContact CZ-CG 3.49Å; F375-M379 VanDerWaalsContact CZ-CG 3.49Å; F375-M379 HydrophobicContact CZ-SD 4.02Å; F375-M379 PolarHBondContact O-N 2.73Å; F375-L511 HydrophobicContact CZ-CD2 4.42Å
376	V	97	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-33.2	-173.9	-57.6	0	0	0	0	112	L156 L160 W166 L252 V372 W373 K378 M379 V380	L156-V376 HydrophobicContact CD1-CG1 4.1Å; L156-V376 HydrophobicContact CD2-CG1 4.48Å; L160-V376 HydrophobicContact CD2-CG1 3.81Å; W166-V376 HydrophobicContact CE3-CG2 4.44Å; W166-V376 HydrophobicContact CH2-CG2 4.26Å; W166-V376 HydrophobicContact CZ2-CG2 4.45Å; W166-V376 HydrophobicContact CZ3-CG2 4.24Å; L252-V376 HydrophobicContact CD2-CB 4.24Å; L252-V376 HydrophobicContact CD2-CG2 3.74Å; V372-V376 HydrophobicContact CG1-CG1 3.67Å; V372-V376 WeakPolarHBondContact O-CG1 3.11Å; V372-V376 WeakPolarHBondContact O-CG2 3.18Å; V372-V376 PolarHBondContact O-N 3.18Å; W373-V376 HydrophobicContact CE3-CG2 3.92Å; W373-V376 HydrophobicContact CZ3-CG2 4.5Å; W373-V376 PolarHBondContact O-N 3.42Å; V376-K378 PolarHBondContact O-N 3.25Å; V376-K378 VanDerWaalsContact O-N 3.14Å; V376-M379 PolarHBondContact O-N 2.99Å; V376-M379 VanDerWaalsContact O-N 3.07Å; V376-V380 WeakPolarHBondContact O-CG1 3.4Å; V376-V380 PolarHBondContact O-N 3.41Å; V376-V380 VanDerWaalsContact O-N 3.13Å
377	M	95.4	Very high	96.4	Very high	16 Å²	16	22 Å²	22	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-23.1	177.9	73.6	175.9	-76.2	0	0	113.6	Y245 F248 W373 R374 F375 V380 F394	Y245-M377 HydrophobicContact CE2-CE 4.07Å; Y245-M377 HydrophobicContact CE2-SD 4.27Å; F248-M377 HydrophobicContact CE1-CB 3.73Å; F248-M377 HydrophobicContact CE1-CE 4.31Å; F248-M377 HydrophobicContact CZ-CB 3.83Å; W373-M377 HydrophobicContact CD2-CB 4.19Å; W373-M377 HydrophobicContact CD2-SD 4.49Å; W373-M377 HydrophobicContact CE3-CB 4.09Å; W373-M377 HydrophobicContact CH2-CB 3.81Å; W373-M377 HydrophobicContact CZ2-CB 3.89Å; W373-M377 HydrophobicContact CZ2-CE 4.46Å; W373-M377 HydrophobicContact CZ2-SD 4.06Å; W373-M377 HydrophobicContact CZ3-CB 3.89Å; W373-M377 WeakPolarHBondContact O-CB 3.14Å; W373-M377 VanDerWaalsContact O-CG 3.25Å; W373-M377 WeakPolarHBondContact O-CG 3.5Å; W373-M377 PolarHBondContact O-N 2.88Å; R374-M377 PolarHBondContact NH1-SD 2.91Å; F375-M377 PolarHBondContact O-N 3.4Å; M377-V380 WeakPolarHBondContact O-CG2 3.28Å; M377-F394 HydrophobicContact CE-CE1 4.47Å
378	K	93.4	Very high	96.2	Very high	88 Å²	88	22.9 Å²	22.9	38%	0.383	11%	0.106	S	C	.	.	H	α-helix	trans	-85.1	-45.3	171.3	-63.4	-178.4	-177.4	177.8	0	110.6	F375 V376 V380 E381 R391	F375-K378 WeakPolarHBondContact O-CB 3.24Å; F375-K378 PolarHBondContact O-N 3.23Å; V376-K378 PolarHBondContact O-N 3.25Å; V376-K378 VanDerWaalsContact O-N 3.14Å; K378-V380 PolarHBondContact O-N 3.44Å; K378-E381 PolarHBondContact O-N 2.95Å; K378-R391 PolarHBondContact O-NH1 3Å
379	M	95.6	Very high	96	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.054	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-22.9	-173.6	-65.9	-50.9	-58.4	0	0	115	L156 F375 V376 E381 G382 F507 I510 L511 L514	L156-M379 HydrophobicContact CD1-CB 4.3Å; F375-M379 HydrophobicContact CD1-CG 4.4Å; F375-M379 HydrophobicContact CD2-CG 3.75Å; F375-M379 HydrophobicContact CD2-SD 4.31Å; F375-M379 HydrophobicContact CE1-CG 4.06Å; F375-M379 HydrophobicContact CE2-CG 3.29Å; F375-M379 HydrophobicContact CE2-SD 3.54Å; F375-M379 VanDerWaalsContact CE2-SD 3.54Å; F375-M379 HydrophobicContact CG-CG 4.29Å; F375-M379 HydrophobicContact CZ-CG 3.49Å; F375-M379 VanDerWaalsContact CZ-CG 3.49Å; F375-M379 HydrophobicContact CZ-SD 4.02Å; F375-M379 PolarHBondContact O-N 2.73Å; V376-M379 PolarHBondContact O-N 2.99Å; V376-M379 VanDerWaalsContact O-N 3.07Å; M379-E381 PolarHBondContact O-N 3.17Å; M379-G382 PolarHBondContact O-N 3.38Å; M379-F507 HydrophobicContact CB-CE2 4.06Å; M379-F507 HydrophobicContact CB-CZ 4.18Å; M379-F507 HydrophobicContact CE-CD2 4.08Å; M379-F507 HydrophobicContact CE-CE1 4.14Å; M379-F507 HydrophobicContact CE-CE2 3.38Å; M379-F507 HydrophobicContact CE-CZ 3.42Å; M379-F507 VanDerWaalsContact CE-CZ 3.42Å; M379-I510 HydrophobicContact CE-CB 4.49Å; M379-I510 HydrophobicContact CE-CG2 3.81Å; M379-I510 HydrophobicContact SD-CG2 4.45Å; M379-L511 HydrophobicContact CE-CD2 3.56Å; M379-L511 HydrophobicContact SD-CD2 4.43Å; M379-L514 HydrophobicContact SD-CD1 4.07Å
380	V	95.6	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-55.1	-23.7	175.4	-65.5	0	0	0	0	113.9	F248 L252 V376 M377 K378 G382 L383 Y387 R388 R391	F248-V380 HydrophobicContact CE2-CG2 4.39Å; F248-V380 HydrophobicContact CZ-CG2 4.01Å; L252-V380 HydrophobicContact CD1-CG1 3.67Å; L252-V380 HydrophobicContact CD2-CG1 3.73Å; L252-V380 HydrophobicContact CG-CG1 4.37Å; V376-V380 WeakPolarHBondContact O-CG1 3.4Å; V376-V380 PolarHBondContact O-N 3.41Å; V376-V380 VanDerWaalsContact O-N 3.13Å; M377-V380 WeakPolarHBondContact O-CG2 3.28Å; K378-V380 PolarHBondContact O-N 3.44Å; V380-G382 PolarHBondContact O-N 3.16Å; V380-L383 PolarHBondContact O-N 3.32Å; V380-Y387 HydrophobicContact CG1-CD1 4.38Å; V380-R388 VanDerWaalsContact O-CG 3.26Å; V380-R388 WeakPolarHBondContact O-CG 3.35Å; V380-R391 HydrophobicContact CG2-CB 3.78Å; V380-R391 HydrophobicContact CG2-CG 4.32Å
381	E	91.9	Very high	95.5	Very high	96 Å²	96	29 Å²	29	45%	0.449	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-62.6	-27.1	175.5	-85.5	176.2	157.1	0	0	113.5	K378 M379 R391	K378-E381 PolarHBondContact O-N 2.95Å; M379-E381 PolarHBondContact O-N 3.17Å; E381-R391 VanDerWaalsContact CD-NH2 3.32Å; E381-R391 IonicContact OE1-CZ 3.25Å; E381-R391 IonicContact OE1-NE 3.58Å; E381-R391 IonicContact OE1-NH1 3Å; E381-R391 PolarHBondContact OE1-NH1 3.46Å; E381-R391 IonicContact OE1-NH2 3.23Å; E381-R391 PolarHBondContact OE1-NH2 2.9Å; E381-R391 IonicContact OE2-CZ 3.41Å; E381-R391 IonicContact OE2-NH1 3.17Å; E381-R391 PolarHBondContact OE2-NH1 3.34Å; E381-R391 IonicContact OE2-NH2 2.68Å; E381-R391 PolarHBondContact OE2-NH2 2.91Å
382	G	94.3	Very high	95	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-91.4	2.9	179.7	0	0	0	0	0	115	M379 V380	M379-G382 PolarHBondContact O-N 3.38Å; V380-G382 PolarHBondContact O-N 3.16Å
383	L	96.8	Very high	94.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-108.3	177.9	-175.5	-61.2	174.7	0	0	0	111.6	P155 L156 V380 Y387 R388 F507	P155-L383 HydrophobicContact CB-CD2 4.35Å; L156-L383 HydrophobicContact CB-CD1 3.71Å; L156-L383 HydrophobicContact CB-CD2 4.07Å; L156-L383 HydrophobicContact CD2-CD1 3.75Å; L156-L383 HydrophobicContact CG-CD1 4.28Å; V380-L383 PolarHBondContact O-N 3.32Å; L383-Y387 HydrophobicContact CB-CG 4.1Å; L383-Y387 HydrophobicContact CD1-CD1 3.62Å; L383-Y387 HydrophobicContact CD1-CE1 4.18Å; L383-Y387 HydrophobicContact CD1-CG 3.93Å; L383-R388 WeakPolarHBondContact O-CG 3.21Å; L383-R388 PolarHBondContact O-NH1 3.16Å; L383-F507 HydrophobicContact CD1-CE2 4.48Å; L383-F507 HydrophobicContact CD2-CD2 3.51Å; L383-F507 HydrophobicContact CD2-CE2 3.55Å; L383-F507 HydrophobicContact CD2-CG 4.26Å; L383-F507 HydrophobicContact CD2-CZ 4.33Å; L383-F507 HydrophobicContact CG-CD2 4.12Å; L383-F507 HydrophobicContact CG-CE2 3.9Å
384	S	96.6	Very high	94.1	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	17%	0.17	C	C	.	.			trans	-55.1	163.4	176.7	62.1	0	0	0	0	114.9	E149 G152 Y387 R388	E149-S384 WeakPolarHBondContact OE2-CB 3.38Å; G152-S384 VanDerWaalsContact C-OG 3.27Å; G152-S384 WeakPolarHBondContact CA-OG 3.35Å; G152-S384 PolarHBondContact O-N 3.38Å; G152-S384 PolarHBondContact O-OG 2.91Å; G152-S384 VanDerWaalsContact O-OG 3.12Å; S384-Y387 WeakPolarHBondContact O-CB 3.38Å; S384-Y387 PolarHBondContact O-N 3.39Å; S384-Y387 VanDerWaalsContact O-N 3.09Å; S384-Y387 WeakPolarHBondContact OG-CD2 3.33Å; S384-R388 PolarHBondContact O-N 3.28Å
385	R	94.8	Very high	93.7	Very high	160 Å²	160	35.7 Å²	35.7	60%	0.604	18%	0.181	S	C	*	.	H	α-helix	trans	-56	-41.4	-176.9	-168.3	179.9	-171.1	-157	5.1	114.2	E149 Y387 R388 N389	E149-R385 VanDerWaalsContact CD-N 3.31Å; E149-R385 PolarHBondContact OE1-N 2.99Å; E149-R385 WeakPolarHBondContact OE2-CB 3.4Å; E149-R385 PolarHBondContact OE2-N 2.72Å; R385-Y387 VanDerWaalsContact C-N 3.26Å; R385-Y387 PolarHBondContact O-N 2.92Å; R385-R388 PolarHBondContact O-N 3.32Å; R385-N389 WeakPolarHBondContact O-CB 3.42Å; R385-N389 PolarHBondContact O-N 3.04Å; R385-N389 PolarHBondContact O-ND2 2.04Å; R385-N389 PolarHBondContact O-OD1 3.39Å
386	P	96	Very high	93.3	Very high	68 Å²	68	41.2 Å²	41.2	44%	0.442	21%	0.205	S	C	.	.	H	α-helix	trans	-55	-41.6	175.1	-27.4	36.7	0	0	0	112.9	L255	L255-P386 HydrophobicContact CD2-CB 4.19Å
387	Y	96.5	Very high	92.9	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-48.5	175.9	-79.8	-97.8	0	0	0	111.8	L156 L252 L255 I256 D259 V380 L383 S384 R385 N389 T390	L156-Y387 HydrophobicContact CD2-CE1 4.36Å; L252-Y387 HydrophobicContact CD1-CD1 3.49Å; L252-Y387 VanDerWaalsContact CD1-CD1 3.49Å; L252-Y387 HydrophobicContact CD1-CE1 3.73Å; L255-Y387 HydrophobicContact CD2-CD1 3.95Å; L255-Y387 HydrophobicContact CD2-CD2 3.56Å; L255-Y387 HydrophobicContact CD2-CE1 4.04Å; L255-Y387 HydrophobicContact CD2-CE2 3.64Å; L255-Y387 HydrophobicContact CD2-CG 3.71Å; L255-Y387 HydrophobicContact CG-CD2 4.3Å; L255-Y387 HydrophobicContact CG-CE1 4.29Å; L255-Y387 HydrophobicContact CG-CE2 3.85Å; I256-Y387 HydrophobicContact CD1-CE1 4.47Å; I256-Y387 HydrophobicContact CG1-CE1 3.79Å; D259-Y387 WeakPolarHBondContact OD2-CE2 3.46Å; D259-Y387 PolarHBondContact OD2-OH 3.43Å; V380-Y387 HydrophobicContact CG1-CD1 4.38Å; L383-Y387 HydrophobicContact CB-CG 4.1Å; L383-Y387 HydrophobicContact CD1-CD1 3.62Å; L383-Y387 HydrophobicContact CD1-CE1 4.18Å; L383-Y387 HydrophobicContact CD1-CG 3.93Å; S384-Y387 WeakPolarHBondContact O-CB 3.38Å; S384-Y387 PolarHBondContact O-N 3.39Å; S384-Y387 VanDerWaalsContact O-N 3.09Å; S384-Y387 WeakPolarHBondContact OG-CD2 3.33Å; R385-Y387 VanDerWaalsContact C-N 3.26Å; R385-Y387 PolarHBondContact O-N 2.92Å; Y387-N389 VanDerWaalsContact C-N 3.27Å; Y387-N389 PolarHBondContact O-N 2.94Å; Y387-T390 PolarHBondContact O-N 3.44Å; Y387-T390 PolarHBondContact O-OG1 2.88Å
388	R	94	Very high	92.5	Very high	18 Å²	18	42.7 Å²	42.7	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-40.8	177.8	-65.5	-169.6	-56	-96.8	3	112	E145 E149 V380 L383 S384 R385 T390 R391 S392	E145-R388 IonicContact OE1-NH2 2.98Å; E149-R388 IonicContact OE1-CZ 3.94Å; E149-R388 IonicContact OE1-NH1 2.68Å; E149-R388 PolarHBondContact OE1-NH1 3.5Å; E149-R388 VanDerWaalsContact OE1-NH1 3.08Å; E149-R388 IonicContact OE1-NH2 2.66Å; E149-R388 PolarHBondContact OE1-NH2 3.09Å; V380-R388 VanDerWaalsContact O-CG 3.26Å; V380-R388 WeakPolarHBondContact O-CG 3.35Å; L383-R388 WeakPolarHBondContact O-CG 3.21Å; L383-R388 PolarHBondContact O-NH1 3.16Å; S384-R388 PolarHBondContact O-N 3.28Å; R385-R388 PolarHBondContact O-N 3.32Å; R388-T390 VanDerWaalsContact C-N 3.27Å; R388-T390 PolarHBondContact O-N 2.83Å; R388-R391 WeakPolarHBondContact O-CB 3.47Å; R388-R391 PolarHBondContact O-N 2.93Å; R388-S392 PolarHBondContact O-N 3.46Å; R388-S392 PolarHBondContact O-OG 3.01Å; R388-S392 VanDerWaalsContact O-OG 3.06Å
389	N	92.8	Very high	92	Very high	80 Å²	80	39.2 Å²	39.2	43%	0.428	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-31.1	-179.2	-73.3	-12.6	0	0	0	113.5	R385 Y387 R391 S392 A393	R385-N389 WeakPolarHBondContact O-CB 3.42Å; R385-N389 PolarHBondContact O-N 3.04Å; R385-N389 PolarHBondContact O-ND2 2.04Å; R385-N389 PolarHBondContact O-OD1 3.39Å; Y387-N389 VanDerWaalsContact C-N 3.27Å; Y387-N389 PolarHBondContact O-N 2.94Å; N389-R391 PolarHBondContact O-N 3.29Å; N389-S392 PolarHBondContact O-N 2.94Å; N389-A393 PolarHBondContact O-N 3.3Å
390	T	94.2	Very high	91.6	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-35.3	175.3	66.8	0	0	0	0	111.3	F248 D251 L255 Y387 R388	F248-T390 VanDerWaalsContact CD2-C 3.47Å; F248-T390 VanDerWaalsContact CD2-O 3.27Å; F248-T390 WeakPolarHBondContact CD2-O 3.49Å; F248-T390 VanDerWaalsContact CE2-OG1 3.27Å; F248-T390 WeakPolarHBondContact CE2-OG1 3.15Å; D251-T390 HydrophobicContact CB-CG2 4.13Å; L255-T390 HydrophobicContact CD2-CG2 4.27Å; Y387-T390 PolarHBondContact O-N 3.44Å; Y387-T390 PolarHBondContact O-OG1 2.88Å; R388-T390 VanDerWaalsContact C-N 3.27Å; R388-T390 PolarHBondContact O-N 2.83Å
391	R	92.4	Very high	91.1	Very high	37 Å²	37	43 Å²	43	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-83.9	-36.1	177.5	179.7	172.6	170.4	-178	-9.1	113.3	F248 K378 V380 E381 R388 N389 A393 F394 H395	F248-R391 HydrophobicContact CE1-CB 4.14Å; F248-R391 HydrophobicContact CE1-CG 4.12Å; F248-R391 HydrophobicContact CE2-CB 3.87Å; F248-R391 HydrophobicContact CZ-CB 3.64Å; F248-R391 HydrophobicContact CZ-CG 4.03Å; K378-R391 PolarHBondContact O-NH1 3Å; V380-R391 HydrophobicContact CG2-CB 3.78Å; V380-R391 HydrophobicContact CG2-CG 4.32Å; E381-R391 VanDerWaalsContact CD-NH2 3.32Å; E381-R391 IonicContact OE1-CZ 3.25Å; E381-R391 IonicContact OE1-NE 3.58Å; E381-R391 IonicContact OE1-NH1 3Å; E381-R391 PolarHBondContact OE1-NH1 3.46Å; E381-R391 IonicContact OE1-NH2 3.23Å; E381-R391 PolarHBondContact OE1-NH2 2.9Å; E381-R391 IonicContact OE2-CZ 3.41Å; E381-R391 IonicContact OE2-NH1 3.17Å; E381-R391 PolarHBondContact OE2-NH1 3.34Å; E381-R391 IonicContact OE2-NH2 2.68Å; E381-R391 PolarHBondContact OE2-NH2 2.91Å; R388-R391 WeakPolarHBondContact O-CB 3.47Å; R388-R391 PolarHBondContact O-N 2.93Å; N389-R391 PolarHBondContact O-N 3.29Å; R391-A393 PolarHBondContact O-N 3.49Å; R391-F394 PolarHBondContact O-N 3.04Å; R391-F394 VanDerWaalsContact O-N 3.14Å; R391-H395 VanDerWaalsContact CG-ND1 3.34Å; R391-H395 WeakPolarHBondContact CG-ND1 3.28Å; R391-H395 PolarHBondContact NE-CE1 3.49Å; R391-H395 PolarHBondContact NE-ND1 2.69Å; R391-H395 PolarHBondContact NH2-NE2 2.88Å; R391-H395 PolarHBondContact O-N 3.44Å; R391-H395 PolarHBondContact O-ND1 2.93Å
392	S	88.4	Confident	90.7	Very high	33 Å²	33	42.7 Å²	42.7	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-36.1	-177.8	-44.8	0	0	0	0	111.7	R388 N389 H395 K396 E404	R388-S392 PolarHBondContact O-N 3.46Å; R388-S392 PolarHBondContact O-OG 3.01Å; R388-S392 VanDerWaalsContact O-OG 3.06Å; N389-S392 PolarHBondContact O-N 2.94Å; S392-H395 PolarHBondContact O-N 3.27Å; S392-K396 WeakPolarHBondContact O-CB 3.27Å; S392-K396 PolarHBondContact O-N 2.81Å; S392-E404 PolarHBondContact OG-OE1 3.06Å
393	A	85.6	Confident	90.3	Very high	54 Å²	54	45.5 Å²	45.5	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-45	175.3	0	0	0	0	0	112.5	N389 R391 K396 V397	N389-A393 PolarHBondContact O-N 3.3Å; R391-A393 PolarHBondContact O-N 3.49Å; A393-K396 PolarHBondContact O-N 2.87Å; A393-V397 PolarHBondContact O-N 3.16Å
394	F	91.8	Very high	89.8	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-44.8	175.3	171.7	-119.4	0	0	0	112.3	G225 L226 A244 Y245 F248 M377 R391 K396 V397 L398	G225-F394 WeakPolarHBondContact O-CZ 3.39Å; L226-F394 HydrophobicContact CD2-CE2 3.82Å; L226-F394 HydrophobicContact CD2-CZ 3.99Å; A244-F394 HydrophobicContact CB-CD2 3.93Å; Y245-F394 HydrophobicContact CD2-CE1 4.38Å; Y245-F394 HydrophobicContact CD2-CE2 4.06Å; Y245-F394 AromaticContact CD2-CZ 3.84Å; Y245-F394 HydrophobicContact CD2-CZ 3.84Å; Y245-F394 HydrophobicContact CG-CE2 4.3Å; Y245-F394 HydrophobicContact CG-CZ 4.44Å; F248-F394 HydrophobicContact CB-CB 4.08Å; F248-F394 HydrophobicContact CD1-CB 4.08Å; F248-F394 AromaticContact CD1-CD1 3.81Å; F248-F394 HydrophobicContact CD1-CD1 3.81Å; F248-F394 HydrophobicContact CD1-CG 4.09Å; F248-F394 HydrophobicContact CE1-CD1 4.28Å; F248-F394 HydrophobicContact CG-CB 4.28Å; M377-F394 HydrophobicContact CE-CE1 4.47Å; R391-F394 PolarHBondContact O-N 3.04Å; R391-F394 VanDerWaalsContact O-N 3.14Å; F394-K396 VanDerWaalsContact C-N 3.3Å; F394-K396 PolarHBondContact O-N 3.48Å; F394-V397 PolarHBondContact O-N 3.41Å; F394-L398 HydrophobicContact CD1-CD1 4.19Å; F394-L398 HydrophobicContact CD2-CD1 4.34Å; F394-L398 HydrophobicContact CD2-CG 4.27Å; F394-L398 HydrophobicContact CE1-CD1 3.54Å; F394-L398 HydrophobicContact CE1-CG 4.46Å; F394-L398 HydrophobicContact CE2-CD1 3.7Å; F394-L398 HydrophobicContact CE2-CD2 4.13Å; F394-L398 HydrophobicContact CE2-CG 3.84Å; F394-L398 HydrophobicContact CZ-CD1 3.28Å; F394-L398 HydrophobicContact CZ-CD2 4.4Å; F394-L398 HydrophobicContact CZ-CG 3.97Å; F394-L398 PolarHBondContact O-N 2.98Å; F394-L398 VanDerWaalsContact O-N 3.09Å
395	H	88	Confident	89.4	Confident	57 Å²	57	50.9 Å²	50.9	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-34.1	178.4	-87.2	65.8	0	0	0	113.2	R391 S392 L398 T399	R391-H395 VanDerWaalsContact CG-ND1 3.34Å; R391-H395 WeakPolarHBondContact CG-ND1 3.28Å; R391-H395 PolarHBondContact NE-CE1 3.49Å; R391-H395 PolarHBondContact NE-ND1 2.69Å; R391-H395 PolarHBondContact NH2-NE2 2.88Å; R391-H395 PolarHBondContact O-N 3.44Å; R391-H395 PolarHBondContact O-ND1 2.93Å; S392-H395 PolarHBondContact O-N 3.27Å; H395-L398 PolarHBondContact O-N 3.15Å; H395-T399 PolarHBondContact O-N 2.78Å; H395-T399 PolarHBondContact O-OG1 3.06Å
396	K	88.1	Confident	89.3	Confident	116 Å²	116	45.4 Å²	45.4	50%	0.504	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-46.7	175.2	177.6	172.6	-178.6	-178.4	0	111.3	S392 A393 F394 G400 K401	S392-K396 WeakPolarHBondContact O-CB 3.27Å; S392-K396 PolarHBondContact O-N 2.81Å; A393-K396 PolarHBondContact O-N 2.87Å; F394-K396 VanDerWaalsContact C-N 3.3Å; F394-K396 PolarHBondContact O-N 3.48Å; K396-G400 VanDerWaalsContact O-CA 3.26Å; K396-G400 WeakPolarHBondContact O-CA 3.43Å; K396-G400 PolarHBondContact O-N 2.98Å; K396-K401 WeakPolarHBondContact CA-O 3.38Å; K396-K401 WeakPolarHBondContact CB-O 3.36Å; K396-K401 WeakPolarHBondContact CG-O 3.29Å
397	V	89.3	Confident	89.2	Confident	39 Å²	39	43.5 Å²	43.5	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-43.6	177.4	172.8	0	0	0	0	111.1	E240 A241 A244 A393 F394	E240-V397 HydrophobicContact CB-CG1 4.18Å; E240-V397 HydrophobicContact CG-CG1 3.76Å; E240-V397 HydrophobicContact CG-CG2 4.45Å; A241-V397 HydrophobicContact CB-CG1 4.44Å; A244-V397 HydrophobicContact CB-CB 4.01Å; A244-V397 HydrophobicContact CB-CG1 4.09Å; A244-V397 HydrophobicContact CB-CG2 3.92Å; A393-V397 PolarHBondContact O-N 3.16Å; F394-V397 PolarHBondContact O-N 3.41Å
398	L	86.3	Confident	89.3	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-68.4	-49	-179.3	-71.3	-175.1	0	0	0	113.2	L227 Y231 A241 F394 H395 I704	L227-L398 HydrophobicContact CD1-CB 4.3Å; L227-L398 HydrophobicContact CD1-CD1 4.21Å; L227-L398 HydrophobicContact CD1-CD2 4.16Å; L227-L398 HydrophobicContact CD1-CG 4.48Å; L227-L398 HydrophobicContact CD2-CD1 4.2Å; L227-L398 HydrophobicContact CG-CD1 4.05Å; L227-L398 HydrophobicContact CG-CD2 4.34Å; Y231-L398 HydrophobicContact CD1-CD2 4.35Å; Y231-L398 HydrophobicContact CE1-CD2 3.81Å; A241-L398 HydrophobicContact CB-CD2 3.77Å; F394-L398 HydrophobicContact CD1-CD1 4.19Å; F394-L398 HydrophobicContact CD2-CD1 4.34Å; F394-L398 HydrophobicContact CD2-CG 4.27Å; F394-L398 HydrophobicContact CE1-CD1 3.54Å; F394-L398 HydrophobicContact CE1-CG 4.46Å; F394-L398 HydrophobicContact CE2-CD1 3.7Å; F394-L398 HydrophobicContact CE2-CD2 4.13Å; F394-L398 HydrophobicContact CE2-CG 3.84Å; F394-L398 HydrophobicContact CZ-CD1 3.28Å; F394-L398 HydrophobicContact CZ-CD2 4.4Å; F394-L398 HydrophobicContact CZ-CG 3.97Å; F394-L398 PolarHBondContact O-N 2.98Å; F394-L398 VanDerWaalsContact O-N 3.09Å; H395-L398 PolarHBondContact O-N 3.15Å; L398-I704 WeakPolarHBondContact O-CD1 3.34Å
399	T	84.1	Confident	89.4	Confident	16 Å²	16	48.3 Å²	48.3	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-108.8	-10.4	-164.1	65.8	0	0	0	0	114.1	A101 H395 K401 I704	A101-T399 WeakPolarHBondContact CB-O 3.37Å; H395-T399 PolarHBondContact O-N 2.78Å; H395-T399 PolarHBondContact O-OG1 3.06Å; T399-K401 PolarHBondContact O-N 3.47Å; T399-K401 WeakPolarHBondContact OG1-CD 3.41Å; T399-K401 WeakPolarHBondContact OG1-CG 3.24Å; T399-K401 PolarHBondContact OG1-N 2.81Å; T399-I704 HydrophobicContact CG2-CD1 4.45Å
400	G	85.7	Confident	89.5	Confident	12 Å²	12	47.6 Å²	47.6	12%	0.124	25%	0.248	C	C	.	.			trans	71.5	7	-173.2	0	0	0	0	0	114.4	K396 R698	K396-G400 VanDerWaalsContact O-CA 3.26Å; K396-G400 WeakPolarHBondContact O-CA 3.43Å; K396-G400 PolarHBondContact O-N 2.98Å; G400-R698 WeakPolarHBondContact O-CD 3.11Å
401	K	86.3	Confident	89.7	Confident	79 Å²	79	47 Å²	47	34%	0.343	25%	0.245	S	C	.	.			trans	-70	133.8	174.8	-67.4	175.1	-172.5	173.7	0	110.2	A101 K396 T399	A101-K401 HydrophobicContact CB-CG 4.1Å; K396-K401 WeakPolarHBondContact CA-O 3.38Å; K396-K401 WeakPolarHBondContact CB-O 3.36Å; K396-K401 WeakPolarHBondContact CG-O 3.29Å; T399-K401 PolarHBondContact O-N 3.47Å; T399-K401 WeakPolarHBondContact OG1-CD 3.41Å; T399-K401 WeakPolarHBondContact OG1-CG 3.24Å; T399-K401 PolarHBondContact OG1-N 2.81Å
402	I	83.8	Confident	89.9	Confident	89 Å²	89	45.2 Å²	45.2	46%	0.456	24%	0.238	S	C	.	.			trans	-95.6	-29.9	-176.2	-56.5	173.5	0	0	0	110.9	E98	E98-I402 HydrophobicContact CB-CB 4.09Å; E98-I402 HydrophobicContact CG-CB 4.43Å; E98-I402 HydrophobicContact CG-CD1 4.28Å; E98-I402 PolarHBondContact O-N 3.07Å
403	S	85.6	Confident	90.3	Very high	64 Å²	64	45 Å²	45	45%	0.448	23%	0.234	S	C	.	.	S	Bend	trans	-140.8	163.1	-177.5	-170.6	0	0	0	0	112.2	E98 T99	E98-S403 PolarHBondContact O-N 3.06Å; T99-S403 WeakPolarHBondContact CA-O 3.23Å
404	E	85.8	Confident	90.9	Very high	70 Å²	70	44.8 Å²	44.8	33%	0.327	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-83.5	153.5	175	-62.7	-167.3	162.8	0	0	111.5	T99 S392 R410	T99-E404 WeakPolarHBondContact CG2-O 3.37Å; S392-E404 PolarHBondContact OG-OE1 3.06Å; E404-R410 IonicContact OE1-NH1 3.81Å; E404-R410 IonicContact OE2-CZ 2.78Å; E404-R410 IonicContact OE2-NH1 3.35Å; E404-R410 PolarHBondContact OE2-NH1 2.84Å; E404-R410 IonicContact OE2-NH2 3.22Å; E404-R410 PolarHBondContact OE2-NH2 3.21Å; E404-R410 VanDerWaalsContact OE2-NH2 3.08Å
405	K	88.1	Confident	91.2	Very high	49 Å²	49	44.6 Å²	44.6	21%	0.213	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.3	152.6	170.1	-73.5	-171.2	169	-163.3	0	110.2	E114 V407 R410	E114-K405 IonicContact OE1-NZ 3.67Å; E114-K405 PolarHBondContact OE1-NZ 2.91Å; K405-V407 PolarHBondContact O-N 3.05Å; K405-R410 HydrophobicContact CB-CG 4.08Å
406	A	93.4	Very high	91.7	Very high	45 Å²	45	42.4 Å²	42.4	37%	0.372	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-49.8	137.8	171.8	0	0	0	0	0	111	W408 R409 R410	A406-W408 VanDerWaalsContact C-N 3.29Å; A406-W408 HydrophobicContact CB-CG 4.47Å; A406-W408 PolarHBondContact O-N 2.8Å; A406-R409 HydrophobicContact CB-CG 4.3Å; A406-R409 WeakPolarHBondContact O-CB 3.23Å; A406-R409 PolarHBondContact O-N 2.97Å; A406-R410 PolarHBondContact O-N 2.97Å
407	V	94.1	Very high	92.1	Very high	28 Å²	28	41.4 Å²	41.4	17%	0.17	22%	0.219	C	C	.	.	H	α-helix	trans	-55.5	-45.9	-173.5	172.2	0	0	0	0	111.3	E145 K405 R409 R410 C411	E145-V407 HydrophobicContact CG-CG1 3.99Å; E145-V407 HydrophobicContact CG-CG2 4.09Å; E145-V407 WeakPolarHBondContact OE1-CG2 3.26Å; E145-V407 WeakPolarHBondContact OE2-CG2 3.45Å; K405-V407 PolarHBondContact O-N 3.05Å; V407-R409 PolarHBondContact O-N 2.96Å; V407-R410 PolarHBondContact O-N 2.97Å; V407-R410 VanDerWaalsContact O-N 3.09Å; V407-C411 WeakPolarHBondContact O-CB 3.26Å; V407-C411 PolarHBondContact O-N 3.3Å; V407-C411 PolarHBondContact O-SG 3.32Å
408	W	97.1	Very high	92.5	Very high	63 Å²	63	41.7 Å²	41.7	24%	0.239	22%	0.22	C	C	.	.	H	α-helix	trans	-57	-34.2	177.4	74	-104.9	0	0	0	113.3	E114 V115 K118 Y139 I143 A406 A412	E114-W408 HydrophobicContact CB-CZ3 4.17Å; E114-W408 WeakPolarHBondContact O-CZ3 3.42Å; V115-W408 HydrophobicContact CG2-CH2 3.82Å; K118-W408 HydrophobicContact CB-CE3 3.72Å; K118-W408 HydrophobicContact CB-CZ3 3.72Å; K118-W408 HydrophobicContact CD-CD2 3.72Å; K118-W408 HydrophobicContact CD-CE3 3.61Å; K118-W408 HydrophobicContact CD-CG 4.23Å; K118-W408 HydrophobicContact CD-CH2 4.3Å; K118-W408 HydrophobicContact CD-CZ2 4.4Å; K118-W408 HydrophobicContact CD-CZ3 3.93Å; K118-W408 HydrophobicContact CG-CD2 4.46Å; K118-W408 HydrophobicContact CG-CE3 3.98Å; K118-W408 HydrophobicContact CG-CZ3 4.34Å; Y139-W408 WeakPolarHBondContact OH-CB 3.28Å; I143-W408 HydrophobicContact CG2-CB 4.44Å; A406-W408 VanDerWaalsContact C-N 3.29Å; A406-W408 HydrophobicContact CB-CG 4.47Å; A406-W408 PolarHBondContact O-N 2.8Å; W408-A412 WeakPolarHBondContact O-CB 3.48Å; W408-A412 PolarHBondContact O-N 2.85Å
409	R	96.5	Very high	93	Very high	57 Å²	57	41.3 Å²	41.3	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-45.2	177.1	-70.6	179	175.6	-75.7	-1.8	110.7	A111 E114 A406 V407 C411 A412 L413	A111-R409 PolarHBondContact O-NH1 3.21Å; E114-R409 HydrophobicContact CB-CG 4.48Å; E114-R409 WeakPolarHBondContact OE2-CB 2.98Å; E114-R409 WeakPolarHBondContact OE2-CD 3.26Å; E114-R409 VanDerWaalsContact OE2-CG 3.25Å; E114-R409 WeakPolarHBondContact OE2-CG 3.24Å; E114-R409 IonicContact OE2-CZ 3.08Å; E114-R409 IonicContact OE2-NE 2.69Å; E114-R409 IonicContact OE2-NH1 2.67Å; E114-R409 PolarHBondContact OE2-NH1 3.13Å; A406-R409 HydrophobicContact CB-CG 4.3Å; A406-R409 WeakPolarHBondContact O-CB 3.23Å; A406-R409 PolarHBondContact O-N 2.97Å; V407-R409 PolarHBondContact O-N 2.96Å; R409-C411 VanDerWaalsContact C-N 3.33Å; R409-A412 PolarHBondContact O-N 2.99Å; R409-L413 WeakPolarHBondContact O-CG 3.29Å; R409-L413 PolarHBondContact O-N 3.06Å; R409-L413 VanDerWaalsContact O-N 3.11Å
410	R	94.8	Very high	93.6	Very high	65 Å²	65	42.7 Å²	42.7	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-44.3	175.4	-66.2	-166.1	-64.8	-171.6	-12.7	111.1	E404 K405 A406 V407 L413 Y414	E404-R410 IonicContact OE1-NH1 3.81Å; E404-R410 IonicContact OE2-CZ 2.78Å; E404-R410 IonicContact OE2-NH1 3.35Å; E404-R410 PolarHBondContact OE2-NH1 2.84Å; E404-R410 IonicContact OE2-NH2 3.22Å; E404-R410 PolarHBondContact OE2-NH2 3.21Å; E404-R410 VanDerWaalsContact OE2-NH2 3.08Å; K405-R410 HydrophobicContact CB-CG 4.08Å; A406-R410 PolarHBondContact O-N 2.97Å; V407-R410 PolarHBondContact O-N 2.97Å; V407-R410 VanDerWaalsContact O-N 3.09Å; R410-L413 PolarHBondContact O-N 2.92Å; R410-Y414 VanDerWaalsContact O-CB 3.25Å; R410-Y414 WeakPolarHBondContact O-CB 3.45Å; R410-Y414 PolarHBondContact O-N 2.91Å
411	C	97.8	Very high	94.2	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-43.6	178.7	-64.3	0	0	0	0	112.6	Y139 C142 I143 V407 R409 L413 Y414 V415	Y139-C411 HydrophobicContact CD2-CB 3.82Å; Y139-C411 HydrophobicContact CE2-CB 3.74Å; C142-C411 HydrophobicContact CB-CB 3.62Å; C142-C411 WeakPolarHBondContact CB-SG 3.42Å; C142-C411 PolarHBondContact O-SG 3.47Å; C142-C411 VanDerWaalsContact O-SG 3.42Å; C142-C411 WeakPolarHBondContact SG-CA 3.22Å; C142-C411 WeakPolarHBondContact SG-CB 3.35Å; C142-C411 CovalentContact SG-SG 2.03Å; C142-C411 PolarHBondContact SG-SG 3.11Å; I143-C411 HydrophobicContact CG2-CB 3.73Å; V407-C411 WeakPolarHBondContact O-CB 3.26Å; V407-C411 PolarHBondContact O-N 3.3Å; V407-C411 PolarHBondContact O-SG 3.32Å; R409-C411 VanDerWaalsContact C-N 3.33Å; C411-L413 PolarHBondContact O-N 3.34Å; C411-Y414 PolarHBondContact O-N 2.79Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.39Å; C411-V415 PolarHBondContact O-N 3.1Å
412	A	98.3	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-45.4	177.3	0	0	0	0	0	111.5	L117 L121 Y139 W408 R409 N416	L117-A412 HydrophobicContact CB-CB 3.99Å; L121-A412 HydrophobicContact CD1-CB 4.27Å; Y139-A412 HydrophobicContact CE2-CB 4.1Å; W408-A412 WeakPolarHBondContact O-CB 3.48Å; W408-A412 PolarHBondContact O-N 2.85Å; R409-A412 PolarHBondContact O-N 2.99Å; A412-N416 WeakPolarHBondContact O-CB 3.49Å; A412-N416 PolarHBondContact O-N 2.81Å
413	L	96.8	Very high	95.4	Very high	30 Å²	30	35 Å²	35	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-40.6	174.9	-68.2	178.5	0	0	0	112.5	E114 R409 R410 C411 N416 S417	E114-L413 HydrophobicContact CG-CD1 4.37Å; E114-L413 HydrophobicContact CG-CD2 3.85Å; E114-L413 HydrophobicContact CG-CG 3.97Å; E114-L413 WeakPolarHBondContact OE1-CD1 3.42Å; R409-L413 WeakPolarHBondContact O-CG 3.29Å; R409-L413 PolarHBondContact O-N 3.06Å; R409-L413 VanDerWaalsContact O-N 3.11Å; R410-L413 PolarHBondContact O-N 2.92Å; C411-L413 PolarHBondContact O-N 3.34Å; L413-N416 PolarHBondContact O-N 3.05Å; L413-S417 PolarHBondContact O-N 3.17Å; L413-S417 PolarHBondContact O-OG 3.11Å
414	Y	97.6	Very high	96	Very high	48 Å²	48	31.9 Å²	31.9	19%	0.188	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178.8	179.6	-102.3	0	0	0	111.3	L138 R410 C411 S417 N418 Y506 I510 N513	L138-Y414 HydrophobicContact CD1-CE1 4.14Å; L138-Y414 HydrophobicContact CD2-CD1 4.29Å; L138-Y414 HydrophobicContact CD2-CE1 3.97Å; L138-Y414 HydrophobicContact CG-CD1 4.48Å; L138-Y414 HydrophobicContact CG-CE1 4.25Å; R410-Y414 VanDerWaalsContact O-CB 3.25Å; R410-Y414 WeakPolarHBondContact O-CB 3.45Å; R410-Y414 PolarHBondContact O-N 2.91Å; C411-Y414 PolarHBondContact O-N 2.79Å; Y414-S417 PolarHBondContact O-N 2.98Å; Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.4Å; Y414-N418 PolarHBondContact O-N 3.05Å; Y414-N418 PolarHBondContact O-ND2 3.16Å; Y414-Y506 HydrophobicContact CD1-CE2 4.01Å; Y414-Y506 AromaticContact CE1-CE2 3.86Å; Y414-Y506 HydrophobicContact CE1-CE2 3.86Å; Y414-I510 HydrophobicContact CE1-CG1 4.25Å; Y414-I510 HydrophobicContact CE2-CG1 4.46Å; Y414-I510 WeakPolarHBondContact OH-CA 3.3Å; Y414-I510 WeakPolarHBondContact OH-CG1 3.33Å; Y414-N513 PolarHBondContact OH-ND2 2.8Å
415	V	98.3	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-43.8	175.5	-178	0	0	0	0	110.5	L121 A135 L138 Y139 C411 S417 N418 L419 V423	L121-V415 HydrophobicContact CD1-CB 4.38Å; L121-V415 HydrophobicContact CD2-CG1 4.12Å; A135-V415 HydrophobicContact CB-CG1 3.78Å; A135-V415 WeakPolarHBondContact O-CG1 3.38Å; L138-V415 HydrophobicContact CB-CG2 4.11Å; L138-V415 HydrophobicContact CD2-CG2 4Å; L138-V415 HydrophobicContact CG-CG2 3.9Å; Y139-V415 HydrophobicContact CD2-CG2 4.37Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.39Å; C411-V415 PolarHBondContact O-N 3.1Å; V415-S417 VanDerWaalsContact C-N 3.28Å; V415-S417 PolarHBondContact O-N 3.11Å; V415-N418 PolarHBondContact O-N 3.31Å; V415-L419 HydrophobicContact CG1-CD1 4.04Å; V415-L419 PolarHBondContact O-N 2.98Å; V415-V423 HydrophobicContact CB-CG2 4.46Å; V415-V423 HydrophobicContact CG1-CG2 3.68Å
416	N	98.2	Very high	97	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.064	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-35.5	176.6	-168.9	41.8	0	0	0	113.1	L117 A412 L413 D420 V423 A539	L117-N416 HydrophobicContact CD1-CB 3.92Å; A412-N416 WeakPolarHBondContact O-CB 3.49Å; A412-N416 PolarHBondContact O-N 2.81Å; L413-N416 PolarHBondContact O-N 3.05Å; N416-D420 WeakPolarHBondContact O-CA 3.39Å; N416-D420 WeakPolarHBondContact O-CB 3.34Å; N416-D420 PolarHBondContact O-N 3.09Å; N416-V423 HydrophobicContact CB-CB 4.37Å; N416-V423 HydrophobicContact CB-CG1 3.92Å; N416-V423 VanDerWaalsContact OD1-CG1 3.24Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.46Å; N416-A539 PolarHBondContact ND2-O 3.17Å
417	S	96.4	Very high	97.1	Very high	94 Å²	94	26.4 Å²	26.4	66%	0.657	13%	0.129	S	C	*	.	H	α-helix	trans	-77.7	-17.6	179.1	-65.9	0	0	0	0	114.3	L413 Y414 V415	L413-S417 PolarHBondContact O-N 3.17Å; L413-S417 PolarHBondContact O-OG 3.11Å; Y414-S417 PolarHBondContact O-N 2.98Å; V415-S417 VanDerWaalsContact C-N 3.28Å; V415-S417 PolarHBondContact O-N 3.11Å
418	N	97.1	Very high	97.2	Very high	46 Å²	46	25.3 Å²	25.3	25%	0.246	12%	0.122	C	C	.	.	H	α-helix	trans	-109.8	-26.4	-177.9	-69.4	-88.3	0	0	0	113.1	Y414 V415 N513	Y414-N418 VanDerWaalsContact CE2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.4Å; Y414-N418 PolarHBondContact O-N 3.05Å; Y414-N418 PolarHBondContact O-ND2 3.16Å; V415-N418 PolarHBondContact O-N 3.31Å; N418-N513 WeakPolarHBondContact OD1-CB 3.4Å
419	L	97.8	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-127.5	51.9	175.1	-57.7	102.3	0	0	0	110.1	K134 A135 L138 V415 K421 A422 V423 Y496 Y501	K134-L419 HydrophobicContact CB-CD2 4.3Å; A135-L419 HydrophobicContact CB-CB 4.46Å; A135-L419 HydrophobicContact CB-CD2 4.41Å; L138-L419 HydrophobicContact CD2-CD1 3.42Å; L138-L419 VanDerWaalsContact CD2-CD1 3.42Å; V415-L419 HydrophobicContact CG1-CD1 4.04Å; V415-L419 PolarHBondContact O-N 2.98Å; L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 3.03Å; L419-A422 HydrophobicContact CB-CB 4.11Å; L419-A422 PolarHBondContact O-N 3.05Å; L419-A422 VanDerWaalsContact O-N 3.13Å; L419-V423 WeakPolarHBondContact O-CG2 3.33Å; L419-V423 PolarHBondContact O-N 3.36Å; L419-Y496 VanDerWaalsContact C-OH 3.3Å; L419-Y496 WeakPolarHBondContact CA-OH 3.41Å; L419-Y496 HydrophobicContact CB-CE1 4.18Å; L419-Y496 HydrophobicContact CB-CE2 4.5Å; L419-Y496 HydrophobicContact CD2-CD1 4.05Å; L419-Y496 HydrophobicContact CD2-CD2 4.35Å; L419-Y496 HydrophobicContact CD2-CE1 4.3Å; L419-Y496 HydrophobicContact CD2-CG 4.06Å; L419-Y496 HydrophobicContact CG-CD1 4.33Å; L419-Y496 HydrophobicContact CG-CE1 4.17Å; L419-Y501 HydrophobicContact CD1-CE2 4Å; L419-Y501 HydrophobicContact CD2-CE2 4Å
420	D	96.7	Very high	97	Very high	45 Å²	45	30.7 Å²	30.7	24%	0.241	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-38.2	-174.5	67.9	-32.5	0	0	0	114.3	N416 G424 Y496 G537	N416-D420 WeakPolarHBondContact O-CA 3.39Å; N416-D420 WeakPolarHBondContact O-CB 3.34Å; N416-D420 PolarHBondContact O-N 3.09Å; D420-G424 VanDerWaalsContact O-CA 3.27Å; D420-G424 WeakPolarHBondContact O-CA 3.35Å; D420-G424 PolarHBondContact O-N 3.23Å; D420-Y496 PolarHBondContact N-OH 2.8Å; D420-Y496 PolarHBondContact OD1-OH 2.03Å; D420-G537 PolarHBondContact OD2-N 2.92Å
421	K	97.2	Very high	96.8	Very high	17 Å²	17	30 Å²	30	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-69.5	-41.9	175.1	-61.2	170.6	-179.4	174.4	0	111.3	L419 G424 R425 I486 Y491 L492 E495 Y496 E533	L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 3.03Å; K421-G424 PolarHBondContact O-N 3.32Å; K421-R425 PolarHBondContact O-N 3.38Å; K421-I486 HydrophobicContact CB-CG2 3.88Å; K421-I486 HydrophobicContact CG-CG2 4.21Å; K421-Y491 HydrophobicContact CD-CE1 4.17Å; K421-Y491 PolarHBondContact NZ-OH 2.76Å; K421-Y491 VanDerWaalsContact NZ-OH 3.09Å; K421-L492 HydrophobicContact CB-CD1 3.71Å; K421-E495 HydrophobicContact CD-CG 4.02Å; K421-E495 IonicContact NZ-OE1 3.43Å; K421-E495 PolarHBondContact NZ-OE1 2.87Å; K421-E495 IonicContact NZ-OE2 2.64Å; K421-E495 PolarHBondContact NZ-OE2 2.77Å; K421-Y496 HydrophobicContact CB-CE2 4.32Å; K421-Y496 WeakPolarHBondContact CB-OH 3.38Å; K421-Y496 PolarHBondContact N-OH 3.35Å; K421-Y496 VanDerWaalsContact N-OH 3.09Å; K421-E533 IonicContact NZ-OE1 2.84Å
422	A	97.9	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-46.1	179.7	0	0	0	0	0	112	L132 A135 L419 G424 R425 L426 L492 Y496	L132-A422 HydrophobicContact CD2-CB 4.04Å; L132-A422 WeakPolarHBondContact CD2-O 3.49Å; A135-A422 HydrophobicContact CB-CB 4.39Å; L419-A422 HydrophobicContact CB-CB 4.11Å; L419-A422 PolarHBondContact O-N 3.05Å; L419-A422 VanDerWaalsContact O-N 3.13Å; A422-G424 VanDerWaalsContact C-N 3.34Å; A422-R425 PolarHBondContact O-N 2.98Å; A422-L426 PolarHBondContact O-N 3.39Å; A422-L492 HydrophobicContact CB-CD1 4.37Å; A422-L492 HydrophobicContact CB-CD2 4.25Å; A422-Y496 HydrophobicContact CB-CD2 4.42Å; A422-Y496 HydrophobicContact CB-CE2 3.82Å
423	V	98.1	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.1	-36.4	175.6	179.3	0	0	0	0	111	L117 L121 A135 V415 N416 L419 R425 L426 Y427	L117-V423 HydrophobicContact CD1-CG1 4.14Å; L117-V423 HydrophobicContact CD2-CG1 3.46Å; L117-V423 VanDerWaalsContact CD2-CG1 3.46Å; L117-V423 HydrophobicContact CG-CG1 4.36Å; L121-V423 HydrophobicContact CD2-CG2 4.42Å; A135-V423 HydrophobicContact CB-CG2 4.31Å; V415-V423 HydrophobicContact CB-CG2 4.46Å; V415-V423 HydrophobicContact CG1-CG2 3.68Å; N416-V423 HydrophobicContact CB-CB 4.37Å; N416-V423 HydrophobicContact CB-CG1 3.92Å; N416-V423 VanDerWaalsContact OD1-CG1 3.24Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.46Å; L419-V423 WeakPolarHBondContact O-CG2 3.33Å; L419-V423 PolarHBondContact O-N 3.36Å; V423-R425 PolarHBondContact O-N 3.39Å; V423-L426 PolarHBondContact O-N 2.85Å; V423-Y427 WeakPolarHBondContact O-CB 3.25Å; V423-Y427 PolarHBondContact O-N 2.68Å
424	G	97.6	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-49.4	172.3	0	0	0	0	0	111.7	D420 K421 A422 L426 Y427 V428	D420-G424 VanDerWaalsContact O-CA 3.27Å; D420-G424 WeakPolarHBondContact O-CA 3.35Å; D420-G424 PolarHBondContact O-N 3.23Å; K421-G424 PolarHBondContact O-N 3.32Å; A422-G424 VanDerWaalsContact C-N 3.34Å; G424-L426 PolarHBondContact O-N 3.02Å; G424-Y427 PolarHBondContact O-N 3.18Å; G424-V428 WeakPolarHBondContact O-CG1 3.4Å; G424-V428 WeakPolarHBondContact O-CG2 3.45Å; G424-V428 PolarHBondContact O-N 3.24Å
425	R	97.3	Very high	93.7	Very high	27 Å²	27	41.5 Å²	41.5	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-56.6	-49.1	175.6	-170.6	-163.8	-177.9	149	-18.3	111.9	K421 A422 V423 Y427 V428 Q429 I486 M487 D489	K421-R425 PolarHBondContact O-N 3.38Å; A422-R425 PolarHBondContact O-N 2.98Å; V423-R425 PolarHBondContact O-N 3.39Å; R425-Y427 VanDerWaalsContact C-N 3.3Å; R425-Y427 PolarHBondContact O-N 2.74Å; R425-V428 VanDerWaalsContact O-CG2 3.29Å; R425-V428 WeakPolarHBondContact O-CG2 3.02Å; R425-V428 PolarHBondContact O-N 2.9Å; R425-Q429 VanDerWaalsContact O-CG 3.3Å; R425-Q429 WeakPolarHBondContact O-CG 3.43Å; R425-Q429 PolarHBondContact O-N 3.39Å; R425-Q429 VanDerWaalsContact O-N 3.16Å; R425-I486 HydrophobicContact CB-CB 4.4Å; R425-I486 HydrophobicContact CB-CD1 4.23Å; R425-I486 HydrophobicContact CB-CG1 4.03Å; R425-I486 WeakPolarHBondContact CD-O 3.3Å; R425-I486 HydrophobicContact CG-CG1 4.4Å; R425-I486 WeakPolarHBondContact CG-O 3.39Å; R425-I486 PolarHBondContact NH1-O 3.12Å; R425-M487 HydrophobicContact CG-SD 3.87Å; R425-M487 PolarHBondContact NH1-O 2.96Å; R425-M487 PolarHBondContact NH2-O 2.86Å; R425-D489 IonicContact CZ-OD1 2.76Å; R425-D489 IonicContact NH1-OD1 3.84Å; R425-D489 PolarHBondContact NH1-OD1 2.81Å; R425-D489 IonicContact NH2-OD1 3.44Å; R425-D489 PolarHBondContact NH2-OD1 3.28Å
426	L	97.3	Very high	93	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-40.8	178.9	-68.1	173.9	0	0	0	112	V120 L121 L132 A422 V423 G424 E430	V120-L426 HydrophobicContact CB-CB 4Å; V120-L426 HydrophobicContact CG2-CB 3.73Å; V120-L426 HydrophobicContact CG2-CD1 4.3Å; L121-L426 HydrophobicContact CD2-CD1 4.26Å; L132-L426 HydrophobicContact CD1-CD2 4.08Å; L132-L426 HydrophobicContact CD2-CD1 4.44Å; L132-L426 HydrophobicContact CD2-CD2 4.25Å; L132-L426 HydrophobicContact CD2-CG 4.02Å; A422-L426 PolarHBondContact O-N 3.39Å; V423-L426 PolarHBondContact O-N 2.85Å; G424-L426 PolarHBondContact O-N 3.02Å; L426-E430 PolarHBondContact O-N 3.3Å
427	Y	97.4	Very high	92.5	Very high	7 Å²	7	45 Å²	45	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-48.2	179.5	175.5	-98.3	0	0	0	112	L113 V116 L117 V423 G424 R425 Q429 E430 A431 A539 A556	L113-Y427 HydrophobicContact CB-CE2 4.46Å; L113-Y427 HydrophobicContact CD1-CD2 4.48Å; L113-Y427 HydrophobicContact CD1-CE2 3.86Å; L113-Y427 HydrophobicContact CG-CD2 4.25Å; L113-Y427 HydrophobicContact CG-CE2 3.76Å; V116-Y427 HydrophobicContact CB-CD2 4.32Å; V116-Y427 HydrophobicContact CB-CE2 4.35Å; V116-Y427 HydrophobicContact CG1-CD2 3.84Å; V116-Y427 HydrophobicContact CG1-CE2 4.18Å; L117-Y427 HydrophobicContact CD2-CD2 4.09Å; L117-Y427 HydrophobicContact CD2-CG 4.49Å; V423-Y427 WeakPolarHBondContact O-CB 3.25Å; V423-Y427 PolarHBondContact O-N 2.68Å; G424-Y427 PolarHBondContact O-N 3.18Å; R425-Y427 VanDerWaalsContact C-N 3.3Å; R425-Y427 PolarHBondContact O-N 2.74Å; Y427-Q429 VanDerWaalsContact C-N 3.33Å; Y427-Q429 PolarHBondContact O-N 3.05Å; Y427-E430 PolarHBondContact O-N 3.3Å; Y427-E430 VanDerWaalsContact O-N 3.16Å; Y427-A431 HydrophobicContact CD2-CB 4.32Å; Y427-A431 HydrophobicContact CE2-CB 3.91Å; Y427-A431 PolarHBondContact O-N 2.96Å; Y427-A539 HydrophobicContact CD1-CB 3.98Å; Y427-A539 HydrophobicContact CD2-CB 4.28Å; Y427-A539 HydrophobicContact CG-CB 3.73Å; Y427-A556 HydrophobicContact CD1-CB 4.39Å; Y427-A556 HydrophobicContact CE1-CB 4.03Å
428	V	95.5	Very high	92.1	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-36	-176.5	-62.8	0	0	0	0	112.2	G424 R425 E430 F432 Y482 M487 A538 A556	G424-V428 WeakPolarHBondContact O-CG1 3.4Å; G424-V428 WeakPolarHBondContact O-CG2 3.45Å; G424-V428 PolarHBondContact O-N 3.24Å; R425-V428 VanDerWaalsContact O-CG2 3.29Å; R425-V428 WeakPolarHBondContact O-CG2 3.02Å; R425-V428 PolarHBondContact O-N 2.9Å; V428-E430 PolarHBondContact O-N 2.85Å; V428-F432 HydrophobicContact CB-CB 3.95Å; V428-F432 HydrophobicContact CG1-CB 4.15Å; V428-F432 PolarHBondContact O-N 3.13Å; V428-F432 VanDerWaalsContact O-N 3.09Å; V428-Y482 HydrophobicContact CB-CD1 4.04Å; V428-Y482 HydrophobicContact CB-CE1 4.39Å; V428-Y482 HydrophobicContact CB-CG 4.45Å; V428-Y482 HydrophobicContact CG1-CD1 3.74Å; V428-Y482 HydrophobicContact CG1-CG 4.02Å; V428-Y482 HydrophobicContact CG2-CD1 4.24Å; V428-Y482 HydrophobicContact CG2-CE1 4.5Å; V428-Y482 HydrophobicContact CG2-CG 4.25Å; V428-M487 HydrophobicContact CG2-CE 3.44Å; V428-M487 VanDerWaalsContact CG2-CE 3.44Å; V428-A538 HydrophobicContact CG1-CB 3.79Å; V428-A556 HydrophobicContact CG1-CB 3.76Å
429	Q	94.4	Very high	91.7	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-27.3	175.4	-73.5	-179.3	-28.5	0	0	113.1	R425 Y427 M487	R425-Q429 VanDerWaalsContact O-CG 3.3Å; R425-Q429 WeakPolarHBondContact O-CG 3.43Å; R425-Q429 PolarHBondContact O-N 3.39Å; R425-Q429 VanDerWaalsContact O-N 3.16Å; Y427-Q429 VanDerWaalsContact C-N 3.33Å; Y427-Q429 PolarHBondContact O-N 3.05Å; Q429-M487 HydrophobicContact CG-CE 4.45Å; Q429-M487 HydrophobicContact CG-SD 4.48Å
430	E	94.6	Very high	91.5	Very high	119 Å²	119	45.3 Å²	45.3	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-95.8	-37.6	-178	-171.7	69.1	-154.6	0	0	112.6	V116 V120 L426 Y427 V428	V116-E430 HydrophobicContact CG1-CB 4.19Å; V116-E430 HydrophobicContact CG1-CG 3.96Å; V120-E430 HydrophobicContact CG1-CB 3.87Å; V120-E430 HydrophobicContact CG1-CG 3.96Å; L426-E430 PolarHBondContact O-N 3.3Å; Y427-E430 PolarHBondContact O-N 3.3Å; Y427-E430 VanDerWaalsContact O-N 3.16Å; V428-E430 PolarHBondContact O-N 2.85Å
431	A	91.6	Very high	91.4	Very high	51 Å²	51	47.2 Å²	47.2	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-127.2	-3.3	-163.4	0	0	0	0	0	115.6	V116 Y427	V116-A431 HydrophobicContact CG1-CB 4.13Å; Y427-A431 HydrophobicContact CD2-CB 4.32Å; Y427-A431 HydrophobicContact CE2-CB 3.91Å; Y427-A431 PolarHBondContact O-N 2.96Å
432	F	91	Very high	91.3	Very high	31 Å²	31	50.4 Å²	50.4	14%	0.136	25%	0.254	C	S	.	.			trans	-116.7	138.2	-177.8	-171.8	-107	0	0	0	112.1	V428 Y482 A556 L559	V428-F432 HydrophobicContact CB-CB 3.95Å; V428-F432 HydrophobicContact CG1-CB 4.15Å; V428-F432 PolarHBondContact O-N 3.13Å; V428-F432 VanDerWaalsContact O-N 3.09Å; F432-Y482 AromaticContact CD1-CD1 3.95Å; F432-Y482 HydrophobicContact CD1-CD1 3.95Å; F432-Y482 AromaticContact CD1-CE1 3.77Å; F432-Y482 HydrophobicContact CD1-CE1 3.77Å; F432-Y482 HydrophobicContact CE1-CD1 4.04Å; F432-Y482 AromaticContact CE1-CE1 3.87Å; F432-Y482 HydrophobicContact CE1-CE1 3.87Å; F432-A556 HydrophobicContact CB-CB 4.13Å; F432-A556 HydrophobicContact CD1-CB 4.4Å; F432-A556 HydrophobicContact CD2-CB 3.55Å; F432-A556 HydrophobicContact CE2-CB 4.03Å; F432-A556 HydrophobicContact CG-CB 3.76Å; F432-L559 HydrophobicContact CE2-CB 4Å; F432-L559 HydrophobicContact CE2-CD1 3.71Å; F432-L559 HydrophobicContact CE2-CG 4.47Å; F432-L559 HydrophobicContact CZ-CD1 4Å
433	S	82.5	Confident	91.3	Very high	61 Å²	61	50.5 Å²	50.5	43%	0.427	25%	0.254	S	S	.	.			trans	-106.8	126.9	177.6	159.5	0	0	0	0	110	N435 S436	S433-N435 PolarHBondContact O-N 3.04Å; S433-S436 VanDerWaalsContact O-CB 3.23Å; S433-S436 WeakPolarHBondContact O-CB 3.42Å; S433-S436 PolarHBondContact O-N 3.35Å; S433-S436 PolarHBondContact O-OG 3.33Å
434	E	74.4	Confident	91.3	Very high	141 Å²	141	50.6 Å²	50.6	66%	0.659	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.1	179.5	-70.1	-177.4	170.6	0	0	113	S436 K437	E434-S436 PolarHBondContact O-N 3.07Å; E434-K437 VanDerWaalsContact O-CB 3.3Å; E434-K437 WeakPolarHBondContact O-CB 3.2Å; E434-K437 PolarHBondContact O-N 2.9Å
435	N	76.2	Confident	91.3	Very high	87 Å²	87	56.6 Å²	56.6	47%	0.465	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-12.4	177.1	-66.2	-30.7	0	0	0	114.5	S433 K437	S433-N435 PolarHBondContact O-N 3.04Å; N435-K437 VanDerWaalsContact C-N 3.31Å
436	S	84.4	Confident	91.3	Very high	17 Å²	17	55.7 Å²	55.7	12%	0.119	28%	0.278	C	S	.	.	H	α-helix	trans	-73.6	-24.1	173.7	-65.9	0	0	0	0	112.5	S433 E434 M440	S433-S436 VanDerWaalsContact O-CB 3.23Å; S433-S436 WeakPolarHBondContact O-CB 3.42Å; S433-S436 PolarHBondContact O-N 3.35Å; S433-S436 PolarHBondContact O-OG 3.33Å; E434-S436 PolarHBondContact O-N 3.07Å; S436-M440 WeakPolarHBondContact O-CB 3.28Å; S436-M440 PolarHBondContact O-N 3.05Å
437	K	86.4	Confident	91.4	Very high	69 Å²	69	55 Å²	55	30%	0.3	27%	0.274	S	S	.	.	H	α-helix	trans	-68.7	-48.1	-176.6	-171.3	176.5	177.2	179.3	0	111.9	E434 N435 L439 M440 E441 I480	E434-K437 VanDerWaalsContact O-CB 3.3Å; E434-K437 WeakPolarHBondContact O-CB 3.2Å; E434-K437 PolarHBondContact O-N 2.9Å; N435-K437 VanDerWaalsContact C-N 3.31Å; K437-L439 PolarHBondContact O-N 3.43Å; K437-M440 WeakPolarHBondContact O-CB 3.21Å; K437-M440 PolarHBondContact O-N 2.81Å; K437-E441 WeakPolarHBondContact CE-OE1 3.44Å; K437-E441 WeakPolarHBondContact O-CG 3.34Å; K437-E441 PolarHBondContact O-N 3.14Å; K437-I480 HydrophobicContact CB-CG2 4.48Å; K437-I480 HydrophobicContact CG-CB 4.27Å; K437-I480 HydrophobicContact CG-CG2 4.02Å
438	E	88.1	Confident	91.4	Very high	129 Å²	129	56.5 Å²	56.5	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-57.7	-45.6	-178.5	-62.6	177.9	168.8	0	0	112.7	M440 E441 E442	E438-M440 VanDerWaalsContact C-N 3.3Å; E438-M440 PolarHBondContact O-N 2.86Å; E438-E441 PolarHBondContact O-N 3.14Å; E438-E442 PolarHBondContact O-N 2.96Å
439	L	89.9	Confident	91.5	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-33.7	178.8	176.5	59.9	0	0	0	111.8	K437 E442 M443 F564	K437-L439 PolarHBondContact O-N 3.43Å; L439-E442 PolarHBondContact O-N 3.1Å; L439-M443 HydrophobicContact CD1-CG 4.46Å; L439-M443 WeakPolarHBondContact O-CG 3.39Å; L439-M443 PolarHBondContact O-N 3.43Å; L439-M443 VanDerWaalsContact O-N 3.09Å; L439-F564 HydrophobicContact CB-CE2 4.29Å; L439-F564 HydrophobicContact CB-CZ 4.08Å; L439-F564 HydrophobicContact CD2-CE2 3.52Å; L439-F564 HydrophobicContact CD2-CZ 3.68Å; L439-F564 HydrophobicContact CG-CE2 3.78Å; L439-F564 HydrophobicContact CG-CZ 4.03Å
440	M	93.9	Very high	91.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-41.3	175.3	-172.6	67.6	-174.6	0	0	111.3	S436 K437 E438 E442 M443 I444 I480 F554 L559 I577 I581	S436-M440 WeakPolarHBondContact O-CB 3.28Å; S436-M440 PolarHBondContact O-N 3.05Å; K437-M440 WeakPolarHBondContact O-CB 3.21Å; K437-M440 PolarHBondContact O-N 2.81Å; E438-M440 VanDerWaalsContact C-N 3.3Å; E438-M440 PolarHBondContact O-N 2.86Å; M440-E442 VanDerWaalsContact C-N 3.34Å; M440-E442 PolarHBondContact O-N 3.42Å; M440-M443 PolarHBondContact O-N 3.33Å; M440-I444 HydrophobicContact CE-CD1 3.95Å; M440-I444 HydrophobicContact CE-CG1 4.05Å; M440-I444 HydrophobicContact CG-CD1 4.06Å; M440-I444 VanDerWaalsContact O-CG1 3.3Å; M440-I444 WeakPolarHBondContact O-CG1 3.32Å; M440-I444 PolarHBondContact O-N 2.95Å; M440-I480 HydrophobicContact CB-CD1 4.3Å; M440-I480 HydrophobicContact CB-CG2 3.84Å; M440-I480 HydrophobicContact CG-CD1 4.04Å; M440-I480 HydrophobicContact CG-CG1 4.14Å; M440-I480 HydrophobicContact CG-CG2 3.68Å; M440-F554 HydrophobicContact CE-CB 3.96Å; M440-F554 HydrophobicContact CE-CD1 3.64Å; M440-F554 HydrophobicContact CE-CD2 3.51Å; M440-F554 HydrophobicContact CE-CE1 3.99Å; M440-F554 HydrophobicContact CE-CE2 3.86Å; M440-F554 HydrophobicContact CE-CG 3.4Å; M440-F554 HydrophobicContact CE-CZ 4.12Å; M440-L559 HydrophobicContact CE-CD2 4.28Å; M440-L559 HydrophobicContact CG-CD2 4.38Å; M440-L559 HydrophobicContact SD-CD2 3.89Å; M440-I577 HydrophobicContact CE-CD1 4.35Å; M440-I577 HydrophobicContact CE-CG1 3.77Å; M440-I577 HydrophobicContact SD-CG1 3.75Å; M440-I577 HydrophobicContact SD-CG2 4.43Å; M440-I581 HydrophobicContact CE-CD1 3.39Å; M440-I581 HydrophobicContact CE-CG1 3.31Å; M440-I581 HydrophobicContact SD-CD1 3.77Å; M440-I581 HydrophobicContact SD-CG1 4.35Å
441	E	94.7	Very high	91.9	Very high	85 Å²	85	49.1 Å²	49.1	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-44	174.5	-69.5	170.1	175.6	0	0	111.4	K437 E438 I444 K445 I480	K437-E441 WeakPolarHBondContact CE-OE1 3.44Å; K437-E441 WeakPolarHBondContact O-CG 3.34Å; K437-E441 PolarHBondContact O-N 3.14Å; E438-E441 PolarHBondContact O-N 3.14Å; E441-I444 PolarHBondContact O-N 3.06Å; E441-K445 WeakPolarHBondContact O-CB 3.4Å; E441-K445 PolarHBondContact O-N 3.27Å; E441-I480 HydrophobicContact CB-CD1 4.33Å; E441-I480 HydrophobicContact CG-CD1 3.36Å
442	E	94.3	Very high	92.2	Very high	85 Å²	85	48.1 Å²	48.1	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-47.7	174.6	-173.4	-171.9	173.8	0	0	111.8	E438 L439 M440 K445 D446	E438-E442 PolarHBondContact O-N 2.96Å; L439-E442 PolarHBondContact O-N 3.1Å; M440-E442 VanDerWaalsContact C-N 3.34Å; M440-E442 PolarHBondContact O-N 3.42Å; E442-K445 WeakPolarHBondContact O-CB 3.38Å; E442-K445 PolarHBondContact O-N 2.8Å; E442-D446 PolarHBondContact O-N 3.28Å
443	M	97.2	Very high	92.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-39.5	-179.9	-71.1	-177.3	69	0	0	112.6	L439 M440 K445 D446 I447 F564 N573 Y574 I577 I581	L439-M443 HydrophobicContact CD1-CG 4.46Å; L439-M443 WeakPolarHBondContact O-CG 3.39Å; L439-M443 PolarHBondContact O-N 3.43Å; L439-M443 VanDerWaalsContact O-N 3.09Å; M440-M443 PolarHBondContact O-N 3.33Å; M443-K445 VanDerWaalsContact C-N 3.34Å; M443-D446 PolarHBondContact O-N 2.81Å; M443-I447 WeakPolarHBondContact O-CB 3.48Å; M443-I447 WeakPolarHBondContact O-CD1 3.29Å; M443-I447 VanDerWaalsContact O-CG1 3.26Å; M443-I447 WeakPolarHBondContact O-CG1 3.14Å; M443-I447 PolarHBondContact O-N 3.42Å; M443-F564 HydrophobicContact SD-CE2 4.47Å; M443-N573 HydrophobicContact CE-CB 4.01Å; M443-N573 HydrophobicContact SD-CB 4.11Å; M443-Y574 HydrophobicContact CE-CD1 3.8Å; M443-Y574 HydrophobicContact CE-CD2 4.22Å; M443-Y574 HydrophobicContact CE-CE1 4.08Å; M443-Y574 HydrophobicContact CE-CE2 4.48Å; M443-Y574 HydrophobicContact CE-CG 3.87Å; M443-Y574 HydrophobicContact CG-CE1 4.32Å; M443-I577 HydrophobicContact CE-CG2 3.75Å; M443-I577 HydrophobicContact SD-CG2 4.07Å; M443-I581 HydrophobicContact CB-CD1 3.84Å
444	I	98.1	Very high	93.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-46.2	174.6	-69.7	169.6	0	0	0	110.1	M440 E441 I447 R448 E478 I480 I552 F554 I581	M440-I444 HydrophobicContact CE-CD1 3.95Å; M440-I444 HydrophobicContact CE-CG1 4.05Å; M440-I444 HydrophobicContact CG-CD1 4.06Å; M440-I444 VanDerWaalsContact O-CG1 3.3Å; M440-I444 WeakPolarHBondContact O-CG1 3.32Å; M440-I444 PolarHBondContact O-N 2.95Å; E441-I444 PolarHBondContact O-N 3.06Å; I444-I447 PolarHBondContact O-N 2.92Å; I444-R448 VanDerWaalsContact O-CB 3.28Å; I444-R448 WeakPolarHBondContact O-CB 3.46Å; I444-R448 PolarHBondContact O-N 3.3Å; I444-E478 HydrophobicContact CD1-CB 4.07Å; I444-E478 HydrophobicContact CG2-CB 4.38Å; I444-I480 HydrophobicContact CD1-CD1 3.65Å; I444-I480 HydrophobicContact CD1-CG1 3.86Å; I444-I552 HydrophobicContact CG2-CD1 4.11Å; I444-F554 HydrophobicContact CD1-CD2 4.02Å; I444-F554 HydrophobicContact CD1-CE2 3.83Å; I444-F554 HydrophobicContact CG1-CE2 4.31Å; I444-I581 HydrophobicContact CB-CG2 4.42Å; I444-I581 HydrophobicContact CG1-CD1 3.85Å; I444-I581 HydrophobicContact CG1-CG1 4.02Å; I444-I581 HydrophobicContact CG1-CG2 3.93Å
445	K	97.8	Very high	94.3	Very high	127 Å²	127	39.6 Å²	39.6	55%	0.552	19%	0.191	S	C	*	.	H	α-helix	trans	-59	-49.9	176.9	-179.2	-179.7	174.3	-178.2	0	111.5	E441 E442 M443 I447 R448 E449	E441-K445 WeakPolarHBondContact O-CB 3.4Å; E441-K445 PolarHBondContact O-N 3.27Å; E442-K445 WeakPolarHBondContact O-CB 3.38Å; E442-K445 PolarHBondContact O-N 2.8Å; M443-K445 VanDerWaalsContact C-N 3.34Å; K445-I447 VanDerWaalsContact C-N 3.31Å; K445-I447 PolarHBondContact O-N 2.68Å; K445-R448 PolarHBondContact O-N 3.49Å; K445-E449 WeakPolarHBondContact CE-OE1 3.47Å; K445-E449 WeakPolarHBondContact O-CB 3.4Å; K445-E449 WeakPolarHBondContact O-CG 3.47Å; K445-E449 PolarHBondContact O-N 3.01Å
446	D	97.6	Very high	95.1	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.043	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-43.9	179.2	-82.7	-21	0	0	0	112.6	E442 M443 V450 Y574 A660 R667	E442-D446 PolarHBondContact O-N 3.28Å; M443-D446 PolarHBondContact O-N 2.81Å; D446-V450 WeakPolarHBondContact O-CG2 3.22Å; D446-V450 PolarHBondContact O-N 2.96Å; D446-Y574 PolarHBondContact OD2-OH 3.33Å; D446-A660 HydrophobicContact CB-CB 4.31Å; D446-R667 IonicContact OD1-CZ 3.27Å; D446-R667 VanDerWaalsContact OD1-CZ 3.29Å; D446-R667 IonicContact OD1-NH1 3.95Å; D446-R667 PolarHBondContact OD1-NH1 3.31Å; D446-R667 IonicContact OD1-NH2 3.65Å; D446-R667 PolarHBondContact OD1-NH2 3.37Å; D446-R667 IonicContact OD2-CZ 3.36Å; D446-R667 IonicContact OD2-NH2 2.79Å; D446-R667 PolarHBondContact OD2-NH2 3.49Å
447	I	98.6	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-74.1	-38.7	-177.2	-66.6	165.5	0	0	0	110.7	M443 I444 K445 V450 F451 Y574 G578 I581 I585 Q656 A660	M443-I447 WeakPolarHBondContact O-CB 3.48Å; M443-I447 WeakPolarHBondContact O-CD1 3.29Å; M443-I447 VanDerWaalsContact O-CG1 3.26Å; M443-I447 WeakPolarHBondContact O-CG1 3.14Å; M443-I447 PolarHBondContact O-N 3.42Å; I444-I447 PolarHBondContact O-N 2.92Å; K445-I447 VanDerWaalsContact C-N 3.31Å; K445-I447 PolarHBondContact O-N 2.68Å; I447-V450 WeakPolarHBondContact O-CB 3.33Å; I447-V450 PolarHBondContact O-N 3.41Å; I447-F451 PolarHBondContact O-N 3.48Å; I447-Y574 HydrophobicContact CD1-CD1 4.47Å; I447-G578 VanDerWaalsContact CD1-O 3.3Å; I447-G578 WeakPolarHBondContact CD1-O 3.28Å; I447-I581 HydrophobicContact CB-CG2 3.98Å; I447-I581 HydrophobicContact CD1-CB 3.72Å; I447-I581 HydrophobicContact CD1-CD1 3.97Å; I447-I581 HydrophobicContact CD1-CG1 4.47Å; I447-I581 HydrophobicContact CD1-CG2 3.69Å; I447-I581 HydrophobicContact CG1-CG2 4.45Å; I447-I581 HydrophobicContact CG2-CG2 3.99Å; I447-I585 HydrophobicContact CG2-CD1 4.01Å; I447-Q656 HydrophobicContact CG2-CB 4.09Å; I447-A660 HydrophobicContact CG1-CB 3.68Å
448	R	98.6	Very high	96	Very high	38 Å²	38	42.6 Å²	42.6	14%	0.143	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-45.1	172.1	-175.6	-176.8	-64	164.9	3.1	111.2	I444 K445 V450 F451 I452 A473 I476 E478 I585	I444-R448 VanDerWaalsContact O-CB 3.28Å; I444-R448 WeakPolarHBondContact O-CB 3.46Å; I444-R448 PolarHBondContact O-N 3.3Å; K445-R448 PolarHBondContact O-N 3.49Å; R448-V450 VanDerWaalsContact C-N 3.31Å; R448-V450 PolarHBondContact O-N 2.83Å; R448-F451 WeakPolarHBondContact O-CB 3.26Å; R448-F451 PolarHBondContact O-N 3.49Å; R448-I452 HydrophobicContact CG-CD1 4.03Å; R448-I452 WeakPolarHBondContact O-CG1 3.29Å; R448-I452 PolarHBondContact O-N 2.71Å; R448-A473 WeakPolarHBondContact CD-O 3.48Å; R448-I476 PolarHBondContact NH2-O 3.36Å; R448-I476 VanDerWaalsContact NH2-O 3.1Å; R448-E478 IonicContact CZ-OE2 3.58Å; R448-E478 IonicContact NH1-OE1 3.61Å; R448-E478 IonicContact NH1-OE2 2.85Å; R448-E478 PolarHBondContact NH1-OE2 3.11Å; R448-E478 IonicContact NH2-OE2 3.29Å; R448-E478 PolarHBondContact NH2-OE2 3.14Å; R448-I585 HydrophobicContact CB-CD1 4.29Å
449	E	98	Very high	96.3	Very high	83 Å²	83	41.3 Å²	41.3	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-37.8	175.4	-75.2	178.2	-170.3	0	0	112	K445 S453	K445-E449 WeakPolarHBondContact CE-OE1 3.47Å; K445-E449 WeakPolarHBondContact O-CB 3.4Å; K445-E449 WeakPolarHBondContact O-CG 3.47Å; K445-E449 PolarHBondContact O-N 3.01Å; E449-S453 VanDerWaalsContact O-CB 3.27Å; E449-S453 WeakPolarHBondContact O-CB 3.27Å; E449-S453 PolarHBondContact O-N 2.98Å; E449-S453 PolarHBondContact O-OG 3.29Å; E449-S453 VanDerWaalsContact O-OG 3.1Å
450	V	98.3	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-49.5	172.5	165.4	0	0	0	0	111.3	D446 I447 R448 I452 S453 N454 Q656 Q659 A660 K663	D446-V450 WeakPolarHBondContact O-CG2 3.22Å; D446-V450 PolarHBondContact O-N 2.96Å; I447-V450 WeakPolarHBondContact O-CB 3.33Å; I447-V450 PolarHBondContact O-N 3.41Å; R448-V450 VanDerWaalsContact C-N 3.31Å; R448-V450 PolarHBondContact O-N 2.83Å; V450-I452 PolarHBondContact O-N 3.28Å; V450-S453 WeakPolarHBondContact CA-OG 3.27Å; V450-S453 PolarHBondContact O-N 3.38Å; V450-S453 PolarHBondContact O-OG 3.22Å; V450-N454 VanDerWaalsContact O-CG 3.25Å; V450-N454 PolarHBondContact O-N 3.01Å; V450-Q656 HydrophobicContact CG1-CB 4.05Å; V450-Q656 HydrophobicContact CG1-CG 4.32Å; V450-Q659 HydrophobicContact CG1-CB 3.73Å; V450-Q659 HydrophobicContact CG2-CB 4.27Å; V450-A660 HydrophobicContact CG2-CB 3.96Å; V450-K663 HydrophobicContact CG2-CD 3.78Å
451	F	98.4	Very high	96.8	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-54.2	-52.1	177.5	179.2	-89.6	0	0	0	111.2	I447 R448 S453 N454 L455 A473 I585 F589 W749	I447-F451 PolarHBondContact O-N 3.48Å; R448-F451 WeakPolarHBondContact O-CB 3.26Å; R448-F451 PolarHBondContact O-N 3.49Å; F451-S453 VanDerWaalsContact C-N 3.35Å; F451-S453 PolarHBondContact O-N 3.24Å; F451-N454 WeakPolarHBondContact O-CB 3.37Å; F451-N454 PolarHBondContact O-N 3.38Å; F451-L455 HydrophobicContact CE1-CD1 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.15Å; F451-L455 HydrophobicContact CZ-CD2 4.31Å; F451-L455 PolarHBondContact O-N 3.04Å; F451-A473 HydrophobicContact CD1-CB 3.72Å; F451-A473 HydrophobicContact CE1-CB 3.8Å; F451-I585 HydrophobicContact CB-CG2 4.4Å; F451-I585 HydrophobicContact CD2-CG2 4.21Å; F451-I585 HydrophobicContact CG-CG2 4.14Å; F451-F589 HydrophobicContact CD1-CE2 4.35Å; F451-F589 HydrophobicContact CE1-CD1 4.5Å; F451-F589 AromaticContact CE1-CD2 3.9Å; F451-F589 HydrophobicContact CE1-CD2 3.9Å; F451-F589 HydrophobicContact CE1-CE1 4.15Å; F451-F589 AromaticContact CE1-CE2 3.5Å; F451-F589 HydrophobicContact CE1-CE2 3.5Å; F451-F589 VanDerWaalsContact CE1-CE2 3.5Å; F451-F589 HydrophobicContact CE1-CG 4.39Å; F451-F589 AromaticContact CE1-CZ 3.65Å; F451-F589 HydrophobicContact CE1-CZ 3.65Å; F451-F589 AromaticContact CE2-CD2 3.86Å; F451-F589 HydrophobicContact CE2-CD2 3.86Å; F451-F589 HydrophobicContact CE2-CE2 4.23Å; F451-F589 HydrophobicContact CE2-CG 4.32Å; F451-F589 HydrophobicContact CZ-CB 4.33Å; F451-F589 HydrophobicContact CZ-CD1 4.01Å; F451-F589 AromaticContact CZ-CD2 3.29Å; F451-F589 HydrophobicContact CZ-CD2 3.29Å; F451-F589 HydrophobicContact CZ-CE1 4.12Å; F451-F589 AromaticContact CZ-CE2 3.43Å; F451-F589 HydrophobicContact CZ-CE2 3.43Å; F451-F589 VanDerWaalsContact CZ-CE2 3.43Å; F451-F589 AromaticContact CZ-CG 3.61Å; F451-F589 HydrophobicContact CZ-CG 3.61Å; F451-F589 AromaticContact CZ-CZ 3.86Å; F451-F589 HydrophobicContact CZ-CZ 3.86Å; F451-W749 HydrophobicContact CE2-CB 4.45Å; F451-W749 HydrophobicContact CE2-CD2 4.24Å; F451-W749 HydrophobicContact CE2-CE3 4.1Å; F451-W749 HydrophobicContact CE2-CG 4.37Å; F451-W749 HydrophobicContact CZ-CD2 4.46Å; F451-W749 HydrophobicContact CZ-CE3 4.03Å; F451-W749 HydrophobicContact CZ-CZ3 4.32Å
452	I	98.1	Very high	96.9	Very high	30 Å²	30	40.6 Å²	40.6	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-44.6	179	-66.4	166.7	0	0	0	110.6	R448 V450 N454 L455 E470 A473 Q474	R448-I452 HydrophobicContact CG-CD1 4.03Å; R448-I452 WeakPolarHBondContact O-CG1 3.29Å; R448-I452 PolarHBondContact O-N 2.71Å; V450-I452 PolarHBondContact O-N 3.28Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 2.94Å; I452-L455 WeakPolarHBondContact O-CB 3.39Å; I452-L455 PolarHBondContact O-N 3.47Å; I452-L455 VanDerWaalsContact O-N 3.16Å; I452-E470 HydrophobicContact CG2-CG 3.84Å; I452-A473 HydrophobicContact CD1-CB 4.33Å; I452-A473 HydrophobicContact CG1-CB 3.92Å; I452-Q474 HydrophobicContact CD1-CG 3.71Å
453	S	97.3	Very high	97.1	Very high	42 Å²	42	42.7 Å²	42.7	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-33.8	179.5	66.8	0	0	0	0	113.1	E449 V450 F451 L455 N456 K663	E449-S453 VanDerWaalsContact O-CB 3.27Å; E449-S453 WeakPolarHBondContact O-CB 3.27Å; E449-S453 PolarHBondContact O-N 2.98Å; E449-S453 PolarHBondContact O-OG 3.29Å; E449-S453 VanDerWaalsContact O-OG 3.1Å; V450-S453 WeakPolarHBondContact CA-OG 3.27Å; V450-S453 PolarHBondContact O-N 3.38Å; V450-S453 PolarHBondContact O-OG 3.22Å; F451-S453 VanDerWaalsContact C-N 3.35Å; F451-S453 PolarHBondContact O-N 3.24Å; S453-L455 VanDerWaalsContact C-N 3.26Å; S453-L455 PolarHBondContact O-N 3.28Å; S453-N456 PolarHBondContact O-N 3.22Å; S453-K663 PolarHBondContact OG-NZ 3.45Å
454	N	96.8	Very high	97.1	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-26.8	178.5	-73.6	-14.1	0	0	0	112.3	V450 F451 I452 N456 D457 L458 Q659	V450-N454 VanDerWaalsContact O-CG 3.25Å; V450-N454 PolarHBondContact O-N 3.01Å; F451-N454 WeakPolarHBondContact O-CB 3.37Å; F451-N454 PolarHBondContact O-N 3.38Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 2.94Å; N454-N456 PolarHBondContact O-N 3.17Å; N454-D457 PolarHBondContact O-N 3.48Å; N454-L458 WeakPolarHBondContact O-CG 3.25Å; N454-L458 PolarHBondContact O-N 3.09Å; N454-Q659 PolarHBondContact ND2-OE1 2.64Å; N454-Q659 PolarHBondContact OD1-NE2 3.41Å; N454-Q659 PolarHBondContact OD1-OE1 2.73Å
455	L	96.9	Very high	97.1	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-34.6	179.1	-61.7	179.9	0	0	0	112.1	F451 I452 S453 D457 L458 M461 K466 A469 E470 W749	F451-L455 HydrophobicContact CE1-CD1 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.15Å; F451-L455 HydrophobicContact CZ-CD2 4.31Å; F451-L455 PolarHBondContact O-N 3.04Å; I452-L455 WeakPolarHBondContact O-CB 3.39Å; I452-L455 PolarHBondContact O-N 3.47Å; I452-L455 VanDerWaalsContact O-N 3.16Å; S453-L455 VanDerWaalsContact C-N 3.26Å; S453-L455 PolarHBondContact O-N 3.28Å; L455-D457 VanDerWaalsContact C-N 3.27Å; L455-D457 PolarHBondContact O-N 3.24Å; L455-L458 HydrophobicContact CD2-CD1 4Å; L455-L458 PolarHBondContact O-N 2.86Å; L455-M461 HydrophobicContact CD2-CE 3.89Å; L455-K466 VanDerWaalsContact O-CD 3.3Å; L455-K466 WeakPolarHBondContact O-CD 3.36Å; L455-K466 WeakPolarHBondContact O-CE 3.43Å; L455-A469 HydrophobicContact CD1-CB 4.01Å; L455-A469 HydrophobicContact CD2-CB 4.23Å; L455-E470 HydrophobicContact CD1-CB 3.93Å; L455-W749 HydrophobicContact CD2-CE3 4.33Å; L455-W749 HydrophobicContact CD2-CZ3 4.03Å
456	N	94.5	Very high	97.1	Very high	110 Å²	110	44.3 Å²	44.3	59%	0.588	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.2	177.8	-66.3	-39.9	0	0	0	112.4	S453 N454 L458 K466	S453-N456 PolarHBondContact O-N 3.22Å; N454-N456 PolarHBondContact O-N 3.17Å; N456-L458 VanDerWaalsContact C-N 3.34Å; N456-K466 PolarHBondContact O-NZ 3.07Å
457	D	93	Very high	97.1	Very high	121 Å²	121	49.9 Å²	49.9	65%	0.647	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-8.7	-177.9	-62.5	-27.5	0	0	0	112.9	N454 L455 A459	N454-D457 PolarHBondContact O-N 3.48Å; L455-D457 VanDerWaalsContact C-N 3.27Å; L455-D457 PolarHBondContact O-N 3.24Å; D457-A459 PolarHBondContact O-N 2.95Å
458	L	95.1	Very high	97.1	Very high	5 Å²	5	51 Å²	51	3%	0.026	27%	0.269	C	S	.	.			trans	-79.6	86.1	-179.9	-59.8	-175.4	0	0	0	111.2	N454 L455 N456 W460 M461 K466 W749	N454-L458 WeakPolarHBondContact O-CG 3.25Å; N454-L458 PolarHBondContact O-N 3.09Å; L455-L458 HydrophobicContact CD2-CD1 4Å; L455-L458 PolarHBondContact O-N 2.86Å; N456-L458 VanDerWaalsContact C-N 3.34Å; L458-W460 HydrophobicContact CD1-CZ2 4.03Å; L458-W460 PolarHBondContact O-N 2.82Å; L458-W460 VanDerWaalsContact O-N 3.12Å; L458-M461 HydrophobicContact CD1-CE 4.32Å; L458-M461 PolarHBondContact O-N 3.21Å; L458-K466 VanDerWaalsContact O-CE 3.26Å; L458-K466 WeakPolarHBondContact O-CE 3.45Å; L458-W749 HydrophobicContact CD1-CE3 3.78Å; L458-W749 HydrophobicContact CD1-CZ3 4.01Å
459	A	95.4	Very high	97.1	Very high	102 Å²	102	49.2 Å²	49.2	84%	0.843	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.8	179	0	0	0	0	0	114.8	D457 M461	D457-A459 PolarHBondContact O-N 2.95Å; A459-M461 VanDerWaalsContact C-N 3.32Å
460	W	96.5	Very high	97.1	Very high	43 Å²	43	48.7 Å²	48.7	16%	0.163	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.7	-179.5	64.3	-99	0	0	0	113.7	L458 W606 K613 F614 L617 V748 W749	L458-W460 HydrophobicContact CD1-CZ2 4.03Å; L458-W460 PolarHBondContact O-N 2.82Å; L458-W460 VanDerWaalsContact O-N 3.12Å; W460-W606 HydrophobicContact CH2-CH2 4.24Å; W460-W606 HydrophobicContact CH2-CZ3 4.07Å; W460-W606 AromaticContact CZ3-CZ3 3.93Å; W460-W606 HydrophobicContact CZ3-CZ3 3.93Å; W460-K613 HydrophobicContact CB-CB 4.35Å; W460-K613 HydrophobicContact CE3-CB 3.98Å; W460-F614 HydrophobicContact CH2-CB 4.16Å; W460-F614 HydrophobicContact CH2-CD2 4.06Å; W460-F614 HydrophobicContact CZ3-CB 3.81Å; W460-L617 HydrophobicContact CB-CD1 3.97Å; W460-L617 VanDerWaalsContact CD1-CD1 3.48Å; W460-L617 HydrophobicContact CD2-CD1 3.58Å; W460-L617 HydrophobicContact CE3-CD1 4.25Å; W460-L617 HydrophobicContact CG-CD1 3.42Å; W460-L617 VanDerWaalsContact CG-CD1 3.42Å; W460-V748 HydrophobicContact CH2-CG1 4.41Å; W460-V748 HydrophobicContact CZ2-CG1 4.01Å; W460-V748 WeakPolarHBondContact CZ2-O 3.27Å; W460-V748 PolarHBondContact NE1-O 3.28Å; W460-W749 AromaticContact CH2-CH2 4Å; W460-W749 HydrophobicContact CH2-CH2 4Å; W460-W749 HydrophobicContact CH2-CZ2 4.34Å; W460-W749 HydrophobicContact CH2-CZ3 4.26Å; W460-W749 HydrophobicContact CZ2-CE3 4.38Å; W460-W749 HydrophobicContact CZ2-CH2 4.32Å; W460-W749 HydrophobicContact CZ2-CZ3 4.18Å
461	M	97.3	Very high	97.1	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.034	28%	0.278	C	S	.	.	S	Bend	trans	-116.9	137.3	-174.7	-157.3	160.2	70.4	0	0	110.3	L455 L458 A459 T465 K466 A469 W606 S610 W749	L455-M461 HydrophobicContact CD2-CE 3.89Å; L458-M461 HydrophobicContact CD1-CE 4.32Å; L458-M461 PolarHBondContact O-N 3.21Å; A459-M461 VanDerWaalsContact C-N 3.32Å; M461-T465 HydrophobicContact CG-CG2 3.63Å; M461-T465 HydrophobicContact SD-CG2 3.62Å; M461-K466 HydrophobicContact CB-CG 4.3Å; M461-K466 HydrophobicContact CE-CB 4.22Å; M461-K466 HydrophobicContact CE-CG 3.6Å; M461-K466 HydrophobicContact CG-CG 4.35Å; M461-K466 WeakPolarHBondContact O-CE 3.47Å; M461-A469 HydrophobicContact CE-CB 4.21Å; M461-W606 HydrophobicContact SD-CH2 4.33Å; M461-W606 HydrophobicContact SD-CZ3 3.88Å; M461-S610 WeakPolarHBondContact CA-OG 3.44Å; M461-W749 HydrophobicContact CE-CZ3 4.11Å; M461-W749 HydrophobicContact SD-CH2 4.22Å; M461-W749 HydrophobicContact SD-CZ3 4.21Å
462	D	97.8	Very high	97.1	Very high	37 Å²	37	52.8 Å²	52.8	20%	0.198	28%	0.278	C	S	.	.			trans	-77.4	162.1	176.5	59.2	68.7	0	0	0	112.7	E464 T465 K466 T607 S610	D462-E464 VanDerWaalsContact C-N 3.3Å; D462-E464 PolarHBondContact O-N 3.48Å; D462-E464 WeakPolarHBondContact OD1-CB 3.44Å; D462-E464 PolarHBondContact OD1-N 3.03Å; D462-T465 PolarHBondContact O-N 2.95Å; D462-T465 WeakPolarHBondContact OD1-CB 3.34Å; D462-T465 PolarHBondContact OD1-N 3.41Å; D462-T465 PolarHBondContact OD1-OG1 3.29Å; D462-T465 PolarHBondContact OD2-OG1 3.32Å; D462-K466 WeakPolarHBondContact O-CG 3.4Å; D462-K466 PolarHBondContact O-N 3.08Å; D462-T607 WeakPolarHBondContact OD1-CG2 3.48Å; D462-T607 WeakPolarHBondContact OD2-CB 3.47Å; D462-T607 VanDerWaalsContact OD2-CG2 3.27Å; D462-T607 WeakPolarHBondContact OD2-CG2 3.3Å; D462-T607 PolarHBondContact OD2-OG1 3.44Å; D462-S610 VanDerWaalsContact CG-OG 3.29Å; D462-S610 PolarHBondContact N-OG 2.67Å; D462-S610 WeakPolarHBondContact OD2-CB 3.46Å; D462-S610 PolarHBondContact OD2-OG 2.7Å
463	E	97.5	Very high	97.1	Very high	128 Å²	128	51.3 Å²	51.3	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-63.1	-31.9	-176.1	-64	-56.2	128.8	0	0	113.6	K466 K467	E463-K466 IonicContact OE1-NZ 2.71Å; E463-K466 PolarHBondContact OE1-NZ 3.06Å; E463-K467 WeakPolarHBondContact O-CB 3.23Å; E463-K467 PolarHBondContact O-N 3.23Å
464	E	97.4	Very high	97.1	Very high	145 Å²	145	54.4 Å²	54.4	68%	0.678	28%	0.281	S	S	*	.	H	α-helix	trans	-65.1	-48	176.1	-179.2	-179.6	176.5	0	0	110.6	D462 K467 A468 T607	D462-E464 VanDerWaalsContact C-N 3.3Å; D462-E464 PolarHBondContact O-N 3.48Å; D462-E464 WeakPolarHBondContact OD1-CB 3.44Å; D462-E464 PolarHBondContact OD1-N 3.03Å; E464-K467 PolarHBondContact O-N 3.25Å; E464-A468 PolarHBondContact O-N 3.16Å; E464-A468 VanDerWaalsContact O-N 3.07Å; E464-T607 HydrophobicContact CB-CG2 4.39Å
465	T	97.9	Very high	97.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-37.6	178.4	-50.9	0	0	0	0	111.4	M461 D462 A468 A469 W605 W606 T607 S610	M461-T465 HydrophobicContact CG-CG2 3.63Å; M461-T465 HydrophobicContact SD-CG2 3.62Å; D462-T465 PolarHBondContact O-N 2.95Å; D462-T465 WeakPolarHBondContact OD1-CB 3.34Å; D462-T465 PolarHBondContact OD1-N 3.41Å; D462-T465 PolarHBondContact OD1-OG1 3.29Å; D462-T465 PolarHBondContact OD2-OG1 3.32Å; T465-A468 PolarHBondContact O-N 3.12Å; T465-A469 WeakPolarHBondContact O-CB 3.3Å; T465-A469 PolarHBondContact O-N 3.34Å; T465-W605 HydrophobicContact CG2-CE3 4.37Å; T465-W605 HydrophobicContact CG2-CZ3 4.01Å; T465-W606 HydrophobicContact CG2-CD2 4.06Å; T465-W606 HydrophobicContact CG2-CE3 3.47Å; T465-W606 VanDerWaalsContact CG2-CE3 3.47Å; T465-W606 HydrophobicContact CG2-CZ3 3.82Å; T465-T607 PolarHBondContact OG1-N 2.96Å; T465-S610 WeakPolarHBondContact OG1-CB 3.48Å; T465-S610 PolarHBondContact OG1-OG 3.19Å
466	K	98.3	Very high	97.2	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.087	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-46.1	172.9	-74.5	176.9	-172.1	174.5	0	111.9	L455 N456 L458 M461 D462 E463 A468 A469 E470	L455-K466 VanDerWaalsContact O-CD 3.3Å; L455-K466 WeakPolarHBondContact O-CD 3.36Å; L455-K466 WeakPolarHBondContact O-CE 3.43Å; N456-K466 PolarHBondContact O-NZ 3.07Å; L458-K466 VanDerWaalsContact O-CE 3.26Å; L458-K466 WeakPolarHBondContact O-CE 3.45Å; M461-K466 HydrophobicContact CB-CG 4.3Å; M461-K466 HydrophobicContact CE-CB 4.22Å; M461-K466 HydrophobicContact CE-CG 3.6Å; M461-K466 HydrophobicContact CG-CG 4.35Å; M461-K466 WeakPolarHBondContact O-CE 3.47Å; D462-K466 WeakPolarHBondContact O-CG 3.4Å; D462-K466 PolarHBondContact O-N 3.08Å; E463-K466 IonicContact OE1-NZ 2.71Å; E463-K466 PolarHBondContact OE1-NZ 3.06Å; K466-A468 PolarHBondContact O-N 3.41Å; K466-A469 PolarHBondContact O-N 2.55Å; K466-E470 WeakPolarHBondContact O-CB 3.2Å; K466-E470 PolarHBondContact O-N 2.66Å
467	K	97.9	Very high	97.3	Very high	125 Å²	125	53.5 Å²	53.5	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-44.3	177.3	-173.1	-178.5	177	-169.9	0	111.6	E463 E464 A469 E470 E471	E463-K467 WeakPolarHBondContact O-CB 3.23Å; E463-K467 PolarHBondContact O-N 3.23Å; E464-K467 PolarHBondContact O-N 3.25Å; K467-A469 VanDerWaalsContact C-N 3.34Å; K467-A469 PolarHBondContact O-N 3.04Å; K467-E470 PolarHBondContact O-N 3.45Å; K467-E471 VanDerWaalsContact CE-OE1 3.24Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 WeakPolarHBondContact O-CG 3.5Å; K467-E471 PolarHBondContact O-N 3.35Å
468	A	97.9	Very high	97.4	Very high	24 Å²	24	51.5 Å²	51.5	20%	0.198	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-40.5	175.9	0	0	0	0	0	112.4	E464 T465 K466 E471 K472 W605	E464-A468 PolarHBondContact O-N 3.16Å; E464-A468 VanDerWaalsContact O-N 3.07Å; T465-A468 PolarHBondContact O-N 3.12Å; K466-A468 PolarHBondContact O-N 3.41Å; A468-E471 PolarHBondContact O-N 3.33Å; A468-K472 WeakPolarHBondContact O-CB 3.33Å; A468-K472 PolarHBondContact O-N 3.36Å; A468-W605 HydrophobicContact CB-CB 4.46Å; A468-W605 HydrophobicContact CB-CD2 4.47Å; A468-W605 HydrophobicContact CB-CE3 3.76Å; A468-W605 HydrophobicContact CB-CZ3 4.43Å
469	A	98.3	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-39.9	176.1	0	0	0	0	0	112.2	L455 M461 T465 K466 K467 K472 A473 F589 W605	L455-A469 HydrophobicContact CD1-CB 4.01Å; L455-A469 HydrophobicContact CD2-CB 4.23Å; M461-A469 HydrophobicContact CE-CB 4.21Å; T465-A469 WeakPolarHBondContact O-CB 3.3Å; T465-A469 PolarHBondContact O-N 3.34Å; K466-A469 PolarHBondContact O-N 2.55Å; K467-A469 VanDerWaalsContact C-N 3.34Å; K467-A469 PolarHBondContact O-N 3.04Å; A469-K472 PolarHBondContact O-N 2.89Å; A469-A473 WeakPolarHBondContact O-CB 3.24Å; A469-A473 PolarHBondContact O-N 3.02Å; A469-F589 HydrophobicContact CB-CD1 4.48Å; A469-F589 HydrophobicContact CB-CE1 4.03Å; A469-F589 WeakPolarHBondContact O-CE1 3.4Å; A469-F589 WeakPolarHBondContact O-CZ 3.45Å; A469-W605 HydrophobicContact CB-CH2 4.39Å; A469-W605 HydrophobicContact CB-CZ3 4.17Å
470	E	98.4	Very high	97.5	Very high	72 Å²	72	48.7 Å²	48.7	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-50.4	173.6	176.6	175.8	-169.9	0	0	111.5	I452 L455 K466 K467 K472 A473 Q474	I452-E470 HydrophobicContact CG2-CG 3.84Å; L455-E470 HydrophobicContact CD1-CB 3.93Å; K466-E470 WeakPolarHBondContact O-CB 3.2Å; K466-E470 PolarHBondContact O-N 2.66Å; K467-E470 PolarHBondContact O-N 3.45Å; E470-K472 PolarHBondContact O-N 3.3Å; E470-A473 PolarHBondContact O-N 2.91Å; E470-A473 VanDerWaalsContact O-N 3.12Å; E470-Q474 HydrophobicContact CG-CG 4.38Å; E470-Q474 WeakPolarHBondContact O-CB 3.44Å; E470-Q474 WeakPolarHBondContact O-CG 3.34Å; E470-Q474 PolarHBondContact O-N 3.42Å; E470-Q474 PolarHBondContact OE1-NE2 2.96Å
471	E	98.3	Very high	97.4	Very high	84 Å²	84	46.7 Å²	46.7	39%	0.393	22%	0.223	S	C	.	.	H	α-helix	trans	-56.7	-40.9	177.8	-74.1	176.5	-170.1	0	0	111.3	K467 A468 A475	K467-E471 VanDerWaalsContact CE-OE1 3.24Å; K467-E471 WeakPolarHBondContact CE-OE1 3.44Å; K467-E471 WeakPolarHBondContact O-CG 3.5Å; K467-E471 PolarHBondContact O-N 3.35Å; A468-E471 PolarHBondContact O-N 3.33Å; E471-A475 WeakPolarHBondContact O-CB 3.16Å; E471-A475 PolarHBondContact O-N 2.97Å; E471-A475 VanDerWaalsContact O-N 3.16Å
472	K	98.3	Very high	97.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-46.6	175	-179.7	170.7	-172.5	-178.2	0	112.5	A468 A469 E470 Q474 A475 I476 N550 G588 F589 G593 Y596 K598 W605	A468-K472 WeakPolarHBondContact O-CB 3.33Å; A468-K472 PolarHBondContact O-N 3.36Å; A469-K472 PolarHBondContact O-N 2.89Å; E470-K472 PolarHBondContact O-N 3.3Å; K472-Q474 VanDerWaalsContact C-N 3.29Å; K472-Q474 PolarHBondContact O-N 3.19Å; K472-A475 PolarHBondContact O-N 3.4Å; K472-A475 VanDerWaalsContact O-N 3.1Å; K472-I476 PolarHBondContact O-N 3.35Å; K472-N550 PolarHBondContact O-ND2 2.81Å; K472-G588 WeakPolarHBondContact CE-O 3.33Å; K472-G588 PolarHBondContact NZ-O 2.81Å; K472-F589 HydrophobicContact CB-CE1 4.01Å; K472-F589 HydrophobicContact CB-CZ 4.05Å; K472-F589 HydrophobicContact CD-CD1 4.48Å; K472-F589 HydrophobicContact CD-CE1 3.84Å; K472-F589 HydrophobicContact CD-CZ 4.12Å; K472-F589 HydrophobicContact CG-CE1 3.99Å; K472-F589 HydrophobicContact CG-CZ 3.87Å; K472-G593 PolarHBondContact NZ-O 3.41Å; K472-Y596 WeakPolarHBondContact CE-O 3.31Å; K472-Y596 PolarHBondContact NZ-O 2.95Å; K472-K598 HydrophobicContact CB-CB 4.19Å; K472-K598 HydrophobicContact CG-CB 4.48Å; K472-W605 HydrophobicContact CD-CZ2 4.24Å
473	A	98.3	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-37.3	-178.7	0	0	0	0	0	111.8	R448 F451 I452 A469 E470 A475 F589	R448-A473 WeakPolarHBondContact CD-O 3.48Å; F451-A473 HydrophobicContact CD1-CB 3.72Å; F451-A473 HydrophobicContact CE1-CB 3.8Å; I452-A473 HydrophobicContact CD1-CB 4.33Å; I452-A473 HydrophobicContact CG1-CB 3.92Å; A469-A473 WeakPolarHBondContact O-CB 3.24Å; A469-A473 PolarHBondContact O-N 3.02Å; E470-A473 PolarHBondContact O-N 2.91Å; E470-A473 VanDerWaalsContact O-N 3.12Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-F589 HydrophobicContact CB-CE2 4.19Å; A473-F589 HydrophobicContact CB-CZ 3.78Å
474	Q	98.3	Very high	96.9	Very high	107 Å²	107	45.1 Å²	45.1	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-67.6	-32	174.5	-70.7	177.5	2.5	0	0	112.5	I452 E470 K472	I452-Q474 HydrophobicContact CD1-CG 3.71Å; E470-Q474 HydrophobicContact CG-CG 4.38Å; E470-Q474 WeakPolarHBondContact O-CB 3.44Å; E470-Q474 WeakPolarHBondContact O-CG 3.34Å; E470-Q474 PolarHBondContact O-N 3.42Å; E470-Q474 PolarHBondContact OE1-NE2 2.96Å; K472-Q474 VanDerWaalsContact C-N 3.29Å; K472-Q474 PolarHBondContact O-N 3.19Å
475	A	98	Very high	96.8	Very high	36 Å²	36	41.8 Å²	41.8	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-83.1	-6.3	-179.5	0	0	0	0	0	114.6	E471 K472 A473 R477 K598	E471-A475 WeakPolarHBondContact O-CB 3.16Å; E471-A475 PolarHBondContact O-N 2.97Å; E471-A475 VanDerWaalsContact O-N 3.16Å; K472-A475 PolarHBondContact O-N 3.4Å; K472-A475 VanDerWaalsContact O-N 3.1Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A475-R477 PolarHBondContact O-N 3.1Å; A475-K598 HydrophobicContact CB-CB 3.86Å
476	I	97.9	Very high	96.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	21%	0.208	C	C	.	.			trans	-59.3	122.5	176	-68.2	170.3	0	0	0	108.8	R448 K472 N550 I552 I585 F589	R448-I476 PolarHBondContact NH2-O 3.36Å; R448-I476 VanDerWaalsContact NH2-O 3.1Å; K472-I476 PolarHBondContact O-N 3.35Å; I476-N550 WeakPolarHBondContact CA-O 3.22Å; I476-N550 WeakPolarHBondContact CG1-OD1 3.32Å; I476-I552 HydrophobicContact CG2-CB 4.39Å; I476-I552 HydrophobicContact CG2-CD1 3.97Å; I476-I552 HydrophobicContact CG2-CG1 3.86Å; I476-I552 HydrophobicContact CG2-CG2 3.89Å; I476-I585 HydrophobicContact CD1-CG2 4.05Å; I476-F589 HydrophobicContact CD1-CE2 4.16Å
477	R	96.4	Very high	96.5	Very high	62 Å²	62	44.2 Å²	44.2	23%	0.234	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.9	172.2	-61.5	-163.3	-55.1	-78.8	-9.5	110.7	A475 K531 V549 N550 E551 I552	A475-R477 PolarHBondContact O-N 3.1Å; R477-K531 PolarHBondContact NE-O 2.89Å; R477-K531 PolarHBondContact NH2-O 2.97Å; R477-V549 PolarHBondContact NH1-O 3.44Å; R477-V549 PolarHBondContact NH2-O 2.58Å; R477-N550 PolarHBondContact N-O 2.97Å; R477-E551 HydrophobicContact CB-CB 4.34Å; R477-E551 HydrophobicContact CB-CG 4.12Å; R477-E551 IonicContact CZ-OE2 3.4Å; R477-E551 IonicContact NE-OE2 2.76Å; R477-E551 PolarHBondContact NE-OE2 3.41Å; R477-E551 IonicContact NH2-OE2 3.88Å; R477-E551 PolarHBondContact NH2-OE2 2.84Å; R477-E551 CarbonylContact O-C 3.59Å; R477-E551 VanDerWaalsContact O-CA 3.3Å; R477-E551 WeakPolarHBondContact O-CA 3.5Å; R477-E551 WeakPolarHBondContact O-CG 3.14Å; R477-I552 PolarHBondContact O-N 2.8Å
478	E	95.5	Very high	96.5	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.5	175.3	61	-87.2	-159.3	0	0	112.8	I444 R448 I480 I552	I444-E478 HydrophobicContact CD1-CB 4.07Å; I444-E478 HydrophobicContact CG2-CB 4.38Å; R448-E478 IonicContact CZ-OE2 3.58Å; R448-E478 IonicContact NH1-OE1 3.61Å; R448-E478 IonicContact NH1-OE2 2.85Å; R448-E478 PolarHBondContact NH1-OE2 3.11Å; R448-E478 IonicContact NH2-OE2 3.29Å; R448-E478 PolarHBondContact NH2-OE2 3.14Å; E478-I480 HydrophobicContact CG-CD1 4.46Å; E478-I552 HydrophobicContact CB-CD1 4.34Å; E478-I552 HydrophobicContact CB-CG1 4.07Å
479	R	95.6	Very high	96.4	Very high	40 Å²	40	44.3 Å²	44.3	15%	0.151	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121	173.1	-58.4	-61.4	-176.6	-174.8	-6.3	109.4	K531 D532 W534 E551 I552 V553 F554	R479-K531 PolarHBondContact NH2-O 2.87Å; R479-D532 IonicContact CZ-OD1 2.96Å; R479-D532 IonicContact NH1-OD1 3.93Å; R479-D532 IonicContact NH2-OD1 3.92Å; R479-D532 PolarHBondContact NH2-OD1 3.39Å; R479-W534 HydrophobicContact CB-CD2 4.1Å; R479-W534 HydrophobicContact CB-CE3 4.18Å; R479-W534 HydrophobicContact CB-CH2 3.73Å; R479-W534 HydrophobicContact CB-CZ2 3.64Å; R479-W534 HydrophobicContact CB-CZ3 4Å; R479-W534 HydrophobicContact CG-CD2 4.38Å; R479-W534 HydrophobicContact CG-CZ2 4.32Å; R479-E551 HydrophobicContact CG-CG 3.78Å; R479-E551 IonicContact CZ-OE2 3.98Å; R479-E551 IonicContact NE-OE1 3.52Å; R479-E551 IonicContact NE-OE2 2.71Å; R479-E551 PolarHBondContact NE-OE2 3.46Å; R479-E551 IonicContact NH2-OE2 3.53Å; R479-E551 PolarHBondContact NH2-OE2 2.04Å; R479-I552 PolarHBondContact N-O 2.79Å; R479-V553 HydrophobicContact CB-CB 4.23Å; R479-V553 HydrophobicContact CB-CG1 3.94Å; R479-V553 HydrophobicContact CB-CG2 3.93Å; R479-V553 HydrophobicContact CG-CG2 4.1Å; R479-V553 WeakPolarHBondContact O-CA 3.42Å; R479-F554 PolarHBondContact O-N 3.34Å
480	I	95.9	Very high	96.4	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	-169.4	-56.5	166.3	0	0	0	110.5	K437 M440 E441 I444 E478 Y482 L559	K437-I480 HydrophobicContact CB-CG2 4.48Å; K437-I480 HydrophobicContact CG-CB 4.27Å; K437-I480 HydrophobicContact CG-CG2 4.02Å; M440-I480 HydrophobicContact CB-CD1 4.3Å; M440-I480 HydrophobicContact CB-CG2 3.84Å; M440-I480 HydrophobicContact CG-CD1 4.04Å; M440-I480 HydrophobicContact CG-CG1 4.14Å; M440-I480 HydrophobicContact CG-CG2 3.68Å; E441-I480 HydrophobicContact CB-CD1 4.33Å; E441-I480 HydrophobicContact CG-CD1 3.36Å; I444-I480 HydrophobicContact CD1-CD1 3.65Å; I444-I480 HydrophobicContact CD1-CG1 3.86Å; E478-I480 HydrophobicContact CG-CD1 4.46Å; I480-Y482 PolarHBondContact O-N 3.41Å; I480-L559 HydrophobicContact CG2-CD1 3.89Å
481	G	95.2	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-81.6	177.1	0	0	0	0	0	112.8	A538 F554 A556	G481-A538 WeakPolarHBondContact O-CB 3.28Å; G481-F554 PolarHBondContact N-O 3.42Å; G481-A556 PolarHBondContact O-N 2.96Å
482	Y	95.1	Very high	96.2	Very high	22 Å²	22	47.5 Å²	47.5	9%	0.086	23%	0.234	C	C	.	.			trans	-157.1	161.7	-174.8	64.5	-85.8	0	0	0	112.5	V428 F432 I480 I486 M487 W534	V428-Y482 HydrophobicContact CB-CD1 4.04Å; V428-Y482 HydrophobicContact CB-CE1 4.39Å; V428-Y482 HydrophobicContact CB-CG 4.45Å; V428-Y482 HydrophobicContact CG1-CD1 3.74Å; V428-Y482 HydrophobicContact CG1-CG 4.02Å; V428-Y482 HydrophobicContact CG2-CD1 4.24Å; V428-Y482 HydrophobicContact CG2-CE1 4.5Å; V428-Y482 HydrophobicContact CG2-CG 4.25Å; F432-Y482 AromaticContact CD1-CD1 3.95Å; F432-Y482 HydrophobicContact CD1-CD1 3.95Å; F432-Y482 AromaticContact CD1-CE1 3.77Å; F432-Y482 HydrophobicContact CD1-CE1 3.77Å; F432-Y482 HydrophobicContact CE1-CD1 4.04Å; F432-Y482 AromaticContact CE1-CE1 3.87Å; F432-Y482 HydrophobicContact CE1-CE1 3.87Å; I480-Y482 PolarHBondContact O-N 3.41Å; Y482-I486 HydrophobicContact CD2-CD1 4.01Å; Y482-I486 HydrophobicContact CD2-CG1 4.19Å; Y482-I486 HydrophobicContact CG-CD1 4.25Å; Y482-M487 HydrophobicContact CD2-CE 4.05Å; Y482-M487 HydrophobicContact CE1-CE 4.42Å; Y482-M487 HydrophobicContact CE2-CE 3.45Å; Y482-M487 VanDerWaalsContact CE2-CE 3.45Å; Y482-M487 HydrophobicContact CE2-CG 4.05Å; Y482-W534 VanDerWaalsContact CA-CH2 3.4Å; Y482-W534 WeakPolarHBondContact O-CH2 3.47Å; Y482-W534 WeakPolarHBondContact O-CZ2 3.2Å
483	S	94	Very high	96.1	Very high	19 Å²	19	49.8 Å²	49.8	13%	0.133	25%	0.247	C	C	.	.			trans	-78.3	130.2	170.1	-179.7	0	0	0	0	110.8	D485 I486	S483-D485 PolarHBondContact O-N 2.94Å; S483-D485 VanDerWaalsContact O-N 3.1Å; S483-D485 PolarHBondContact OG-N 2.94Å; S483-D485 PolarHBondContact OG-OD2 3.46Å; S483-I486 VanDerWaalsContact O-CG1 3.29Å; S483-I486 WeakPolarHBondContact O-CG1 3.21Å; S483-I486 PolarHBondContact O-N 2.95Å; S483-I486 VanDerWaalsContact O-N 3.11Å
484	D	93	Very high	96	Very high	99 Å²	99	54.1 Å²	54.1	53%	0.529	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.1	-25.9	177.1	-64.1	-36.7	0	0	0	112.5	I486 M487	D484-I486 PolarHBondContact O-N 3.46Å; D484-M487 WeakPolarHBondContact O-CB 3.24Å; D484-M487 PolarHBondContact O-N 3.34Å
485	D	94.4	Very high	95.9	Very high	75 Å²	75	50.4 Å²	50.4	40%	0.401	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-57	-31.9	176.8	-65.5	-30	0	0	0	113.2	S483 M487 N488 Y491	S483-D485 PolarHBondContact O-N 2.94Å; S483-D485 VanDerWaalsContact O-N 3.1Å; S483-D485 PolarHBondContact OG-N 2.94Å; S483-D485 PolarHBondContact OG-OD2 3.46Å; D485-M487 PolarHBondContact O-N 3.37Å; D485-M487 VanDerWaalsContact O-N 3.17Å; D485-N488 WeakPolarHBondContact O-CB 3.2Å; D485-N488 PolarHBondContact O-N 3.5Å; D485-Y491 HydrophobicContact CB-CD1 3.77Å; D485-Y491 HydrophobicContact CB-CD2 4.07Å; D485-Y491 HydrophobicContact CB-CE1 3.69Å; D485-Y491 HydrophobicContact CB-CE2 3.99Å; D485-Y491 HydrophobicContact CB-CG 3.97Å; D485-Y491 VanDerWaalsContact O-CD1 3.24Å; D485-Y491 WeakPolarHBondContact O-CD1 3.45Å
486	I	95.6	Very high	95.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.041	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-69	-16.5	-177.9	80.1	-172.4	0	0	0	112.1	K421 R425 Y482 S483 D484 N488	K421-I486 HydrophobicContact CB-CG2 3.88Å; K421-I486 HydrophobicContact CG-CG2 4.21Å; R425-I486 HydrophobicContact CB-CB 4.4Å; R425-I486 HydrophobicContact CB-CD1 4.23Å; R425-I486 HydrophobicContact CB-CG1 4.03Å; R425-I486 WeakPolarHBondContact CD-O 3.3Å; R425-I486 HydrophobicContact CG-CG1 4.4Å; R425-I486 WeakPolarHBondContact CG-O 3.39Å; R425-I486 PolarHBondContact NH1-O 3.12Å; Y482-I486 HydrophobicContact CD2-CD1 4.01Å; Y482-I486 HydrophobicContact CD2-CG1 4.19Å; Y482-I486 HydrophobicContact CG-CD1 4.25Å; S483-I486 VanDerWaalsContact O-CG1 3.29Å; S483-I486 WeakPolarHBondContact O-CG1 3.21Å; S483-I486 PolarHBondContact O-N 2.95Å; S483-I486 VanDerWaalsContact O-N 3.11Å; D484-I486 PolarHBondContact O-N 3.46Å; I486-N488 VanDerWaalsContact C-N 3.31Å
487	M	95.1	Very high	95.8	Very high	63 Å²	63	54.3 Å²	54.3	31%	0.31	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-79.5	-14.7	173.5	-60.4	-60.4	-172.6	0	0	112.6	R425 V428 Q429 Y482 D484 D485	R425-M487 HydrophobicContact CG-SD 3.87Å; R425-M487 PolarHBondContact NH1-O 2.96Å; R425-M487 PolarHBondContact NH2-O 2.86Å; V428-M487 HydrophobicContact CG2-CE 3.44Å; V428-M487 VanDerWaalsContact CG2-CE 3.44Å; Q429-M487 HydrophobicContact CG-CE 4.45Å; Q429-M487 HydrophobicContact CG-SD 4.48Å; Y482-M487 HydrophobicContact CD2-CE 4.05Å; Y482-M487 HydrophobicContact CE1-CE 4.42Å; Y482-M487 HydrophobicContact CE2-CE 3.45Å; Y482-M487 VanDerWaalsContact CE2-CE 3.45Å; Y482-M487 HydrophobicContact CE2-CG 4.05Å; D484-M487 WeakPolarHBondContact O-CB 3.24Å; D484-M487 PolarHBondContact O-N 3.34Å; D485-M487 PolarHBondContact O-N 3.37Å; D485-M487 VanDerWaalsContact O-N 3.17Å
488	N	96.8	Very high	95.8	Very high	81 Å²	81	57 Å²	57	43%	0.433	28%	0.282	S	S	.	.			trans	-86.8	120.9	176.6	-176.5	-49.7	0	0	0	110.9	D485 I486 E490 Y491 L492	D485-N488 WeakPolarHBondContact O-CB 3.2Å; D485-N488 PolarHBondContact O-N 3.5Å; I486-N488 VanDerWaalsContact C-N 3.31Å; N488-E490 PolarHBondContact O-N 2.85Å; N488-E490 WeakPolarHBondContact OD1-CA 3.02Å; N488-E490 WeakPolarHBondContact OD1-CB 3.5Å; N488-E490 PolarHBondContact OD1-N 3.29Å; N488-Y491 PolarHBondContact OD1-N 3.37Å; N488-L492 WeakPolarHBondContact O-CB 3.37Å; N488-L492 PolarHBondContact O-N 3.35Å; N488-L492 VanDerWaalsContact O-N 3.11Å
489	D	97	Very high	95.9	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-38.3	-178.1	-72.8	6.3	0	0	0	113.1	A129 R425 N493	A129-D489 HydrophobicContact CB-CB 4.21Å; R425-D489 IonicContact CZ-OD1 2.76Å; R425-D489 IonicContact NH1-OD1 3.84Å; R425-D489 PolarHBondContact NH1-OD1 2.81Å; R425-D489 IonicContact NH2-OD1 3.44Å; R425-D489 PolarHBondContact NH2-OD1 3.28Å; D489-N493 WeakPolarHBondContact O-CB 3.5Å; D489-N493 PolarHBondContact O-N 2.99Å; D489-N493 PolarHBondContact O-ND2 3.4Å
490	E	97.2	Very high	95.9	Very high	155 Å²	155	55.8 Å²	55.8	72%	0.724	29%	0.287	S	S	*	.	H	α-helix	trans	-66.8	-48	-179.9	-175.2	178.9	178.4	0	0	110.8	N488 L492 N493 N494	N488-E490 PolarHBondContact O-N 2.85Å; N488-E490 WeakPolarHBondContact OD1-CA 3.02Å; N488-E490 WeakPolarHBondContact OD1-CB 3.5Å; N488-E490 PolarHBondContact OD1-N 3.29Å; E490-L492 PolarHBondContact O-N 3.33Å; E490-N493 PolarHBondContact O-N 2.88Å; E490-N494 WeakPolarHBondContact O-CB 3.46Å; E490-N494 PolarHBondContact O-N 2.83Å
491	Y	96	Very high	96	Very high	69 Å²	69	56.5 Å²	56.5	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-54.1	-53.1	174.8	172.9	-93	0	0	0	110.9	K421 D485 N488 N493 N494 E495	K421-Y491 HydrophobicContact CD-CE1 4.17Å; K421-Y491 PolarHBondContact NZ-OH 2.76Å; K421-Y491 VanDerWaalsContact NZ-OH 3.09Å; D485-Y491 HydrophobicContact CB-CD1 3.77Å; D485-Y491 HydrophobicContact CB-CD2 4.07Å; D485-Y491 HydrophobicContact CB-CE1 3.69Å; D485-Y491 HydrophobicContact CB-CE2 3.99Å; D485-Y491 HydrophobicContact CB-CG 3.97Å; D485-Y491 VanDerWaalsContact O-CD1 3.24Å; D485-Y491 WeakPolarHBondContact O-CD1 3.45Å; N488-Y491 PolarHBondContact OD1-N 3.37Å; Y491-N493 PolarHBondContact O-N 3.41Å; Y491-N494 PolarHBondContact O-N 3.38Å; Y491-E495 PolarHBondContact O-N 3.32Å
492	L	95.9	Very high	96.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-37	-174.5	-163.5	69.8	0	0	0	112.3	A131 L132 K421 A422 N488 E490 Y496	A131-L492 HydrophobicContact CB-CB 4.31Å; A131-L492 HydrophobicContact CB-CD2 3.9Å; A131-L492 HydrophobicContact CB-CG 3.62Å; A131-L492 WeakPolarHBondContact CB-O 3.5Å; L132-L492 HydrophobicContact CD2-CD2 3.72Å; L132-L492 HydrophobicContact CG-CD2 4.32Å; K421-L492 HydrophobicContact CB-CD1 3.71Å; A422-L492 HydrophobicContact CB-CD1 4.37Å; A422-L492 HydrophobicContact CB-CD2 4.25Å; N488-L492 WeakPolarHBondContact O-CB 3.37Å; N488-L492 PolarHBondContact O-N 3.35Å; N488-L492 VanDerWaalsContact O-N 3.11Å; E490-L492 PolarHBondContact O-N 3.33Å; L492-Y496 HydrophobicContact CD1-CD2 4.48Å; L492-Y496 HydrophobicContact CD1-CE2 3.9Å; L492-Y496 HydrophobicContact CG-CE2 4.41Å; L492-Y496 WeakPolarHBondContact O-CD2 3.28Å; L492-Y496 PolarHBondContact O-N 3.33Å
493	N	97.3	Very high	96.2	Very high	50 Å²	50	59.6 Å²	59.6	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.9	-70.4	-27.3	0	0	0	112	A130 A131 D489 E490 Y491 K497	A130-N493 WeakPolarHBondContact CA-OD1 3.29Å; A130-N493 WeakPolarHBondContact CB-OD1 3.44Å; A130-N493 PolarHBondContact N-OD1 2.79Å; A131-N493 PolarHBondContact N-OD1 3.32Å; D489-N493 WeakPolarHBondContact O-CB 3.5Å; D489-N493 PolarHBondContact O-N 2.99Å; D489-N493 PolarHBondContact O-ND2 3.4Å; E490-N493 PolarHBondContact O-N 2.88Å; Y491-N493 PolarHBondContact O-N 3.41Å; N493-K497 WeakPolarHBondContact O-CA 3.46Å; N493-K497 PolarHBondContact O-N 2.86Å; N493-K497 VanDerWaalsContact O-N 3.13Å
494	N	96.6	Very high	96.4	Very high	90 Å²	90	64.9 Å²	64.9	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-38.4	177.1	-179.5	60.2	0	0	0	111.8	E490 Y491 Y496 K497	E490-N494 WeakPolarHBondContact O-CB 3.46Å; E490-N494 PolarHBondContact O-N 2.83Å; Y491-N494 PolarHBondContact O-N 3.38Å; N494-Y496 VanDerWaalsContact C-N 3.3Å; N494-Y496 PolarHBondContact O-N 3.15Å; N494-K497 WeakPolarHBondContact O-CG 3.45Å; N494-K497 PolarHBondContact O-N 3.44Å; N494-K497 WeakPolarHBondContact OD1-CD 3.43Å; N494-K497 PolarHBondContact OD1-NZ 3.26Å
495	E	95.4	Very high	96.6	Very high	29 Å²	29	63.3 Å²	63.3	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-50.9	-51.5	174.6	178	73.6	179.8	0	0	110.7	K421 Y491 Y516 K520	K421-E495 HydrophobicContact CD-CG 4.02Å; K421-E495 IonicContact NZ-OE1 3.43Å; K421-E495 PolarHBondContact NZ-OE1 2.87Å; K421-E495 IonicContact NZ-OE2 2.64Å; K421-E495 PolarHBondContact NZ-OE2 2.77Å; Y491-E495 PolarHBondContact O-N 3.32Å; E495-Y516 PolarHBondContact O-OH 3.47Å; E495-K520 IonicContact OE1-NZ 3.31Å; E495-K520 PolarHBondContact OE1-NZ 3.28Å
496	Y	97.1	Very high	96.8	Very high	3 Å²	3	61 Å²	61	1%	0.012	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	23.3	-174.6	-55.5	-66.9	0	0	0	113.5	A131 K134 L419 D420 K421 A422 L492 N494 D498 L499	A131-Y496 HydrophobicContact CB-CD2 3.83Å; K134-Y496 PolarHBondContact NZ-O 3.44Å; L419-Y496 VanDerWaalsContact C-OH 3.3Å; L419-Y496 WeakPolarHBondContact CA-OH 3.41Å; L419-Y496 HydrophobicContact CB-CE1 4.18Å; L419-Y496 HydrophobicContact CB-CE2 4.5Å; L419-Y496 HydrophobicContact CD2-CD1 4.05Å; L419-Y496 HydrophobicContact CD2-CD2 4.35Å; L419-Y496 HydrophobicContact CD2-CE1 4.3Å; L419-Y496 HydrophobicContact CD2-CG 4.06Å; L419-Y496 HydrophobicContact CG-CD1 4.33Å; L419-Y496 HydrophobicContact CG-CE1 4.17Å; D420-Y496 PolarHBondContact N-OH 2.8Å; D420-Y496 PolarHBondContact OD1-OH 2.03Å; K421-Y496 HydrophobicContact CB-CE2 4.32Å; K421-Y496 WeakPolarHBondContact CB-OH 3.38Å; K421-Y496 PolarHBondContact N-OH 3.35Å; K421-Y496 VanDerWaalsContact N-OH 3.09Å; A422-Y496 HydrophobicContact CB-CD2 4.42Å; A422-Y496 HydrophobicContact CB-CE2 3.82Å; L492-Y496 HydrophobicContact CD1-CD2 4.48Å; L492-Y496 HydrophobicContact CD1-CE2 3.9Å; L492-Y496 HydrophobicContact CG-CE2 4.41Å; L492-Y496 WeakPolarHBondContact O-CD2 3.28Å; L492-Y496 PolarHBondContact O-N 3.33Å; N494-Y496 VanDerWaalsContact C-N 3.3Å; N494-Y496 PolarHBondContact O-N 3.15Å; Y496-D498 VanDerWaalsContact C-N 3.33Å; Y496-D498 PolarHBondContact O-N 2.79Å; Y496-L499 HydrophobicContact CD1-CD1 3.83Å; Y496-L499 HydrophobicContact CG-CD1 4.46Å; Y496-L499 PolarHBondContact O-N 3.45Å
497	K	96.8	Very high	96.9	Very high	119 Å²	119	61.1 Å²	61.1	52%	0.517	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.8	-172	69.5	-173.8	169.6	-165.4	0	113.6	K134 N493 N494 L499	K134-K497 PolarHBondContact NZ-O 3.32Å; N493-K497 WeakPolarHBondContact O-CA 3.46Å; N493-K497 PolarHBondContact O-N 2.86Å; N493-K497 VanDerWaalsContact O-N 3.13Å; N494-K497 WeakPolarHBondContact O-CG 3.45Å; N494-K497 PolarHBondContact O-N 3.44Å; N494-K497 WeakPolarHBondContact OD1-CD 3.43Å; N494-K497 PolarHBondContact OD1-NZ 3.26Å; K497-L499 PolarHBondContact O-N 3.21Å
498	D	95.5	Very high	97	Very high	119 Å²	119	64 Å²	64	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.2	-174.1	-60.2	-45.1	0	0	0	113.4	Y496 Y516	Y496-D498 VanDerWaalsContact C-N 3.33Å; Y496-D498 PolarHBondContact O-N 2.79Å; D498-Y516 HydrophobicContact CB-CD2 4.35Å
499	L	97.6	Very high	97.1	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.305	C	S	.	.			trans	-92.2	131.8	176.5	-69.5	163	0	0	0	110.9	K134 Y496 K497 Y501 Q512 Y516	K134-L499 WeakPolarHBondContact CD-O 3.32Å; K134-L499 WeakPolarHBondContact CE-O 3.37Å; K134-L499 PolarHBondContact NZ-O 2.85Å; Y496-L499 HydrophobicContact CD1-CD1 3.83Å; Y496-L499 HydrophobicContact CG-CD1 4.46Å; Y496-L499 PolarHBondContact O-N 3.45Å; K497-L499 PolarHBondContact O-N 3.21Å; L499-Y501 HydrophobicContact CB-CE1 4.46Å; L499-Y501 HydrophobicContact CB-CE2 4.49Å; L499-Y501 WeakPolarHBondContact CD1-OH 3.31Å; L499-Y501 HydrophobicContact CD2-CE1 4.09Å; L499-Q512 HydrophobicContact CD2-CB 4.39Å; L499-Y516 HydrophobicContact CD1-CD1 3.85Å; L499-Y516 HydrophobicContact CD1-CD2 4.26Å; L499-Y516 HydrophobicContact CD1-CE1 3.97Å; L499-Y516 HydrophobicContact CD1-CE2 4.35Å; L499-Y516 HydrophobicContact CD1-CG 4.02Å; L499-Y516 HydrophobicContact CD2-CD1 4.28Å; L499-Y516 HydrophobicContact CD2-CD2 4.26Å; L499-Y516 HydrophobicContact CD2-CG 3.81Å; L499-Y516 HydrophobicContact CG-CD1 4.25Å; L499-Y516 HydrophobicContact CG-CD2 3.94Å; L499-Y516 HydrophobicContact CG-CE2 4.36Å; L499-Y516 HydrophobicContact CG-CG 3.89Å
500	S	96.8	Very high	97.1	Very high	89 Å²	89	57.6 Å²	57.6	62%	0.622	29%	0.292	S	S	*	.			trans	-139.2	94.6	176.4	178.4	0	0	0	0	110.2	Q512	S500-Q512 PolarHBondContact O-NE2 3.45Å; S500-Q512 VanDerWaalsContact O-NE2 3.14Å; S500-Q512 PolarHBondContact O-OE1 3.43Å; S500-Q512 VanDerWaalsContact O-OE1 3.09Å
501	Y	98.2	Very high	97.2	Very high	23 Å²	23	51.5 Å²	51.5	9%	0.09	26%	0.264	C	S	.	.			trans	-83.6	149.2	-177.2	-56.2	-50.8	0	0	0	113.2	K134 L138 L419 L499 N509 N513	K134-Y501 HydrophobicContact CB-CD2 3.9Å; K134-Y501 HydrophobicContact CB-CE2 4Å; K134-Y501 WeakPolarHBondContact O-CD2 3.34Å; L138-Y501 HydrophobicContact CB-CD2 3.91Å; L138-Y501 HydrophobicContact CB-CE2 4.01Å; L138-Y501 HydrophobicContact CB-CG 4.34Å; L138-Y501 HydrophobicContact CD1-CD1 4.17Å; L138-Y501 HydrophobicContact CD1-CE1 4.19Å; L138-Y501 HydrophobicContact CD1-CG 4.38Å; L138-Y501 HydrophobicContact CD2-CE2 4.22Å; L419-Y501 HydrophobicContact CD1-CE2 4Å; L419-Y501 HydrophobicContact CD2-CE2 4Å; L499-Y501 HydrophobicContact CB-CE1 4.46Å; L499-Y501 HydrophobicContact CB-CE2 4.49Å; L499-Y501 WeakPolarHBondContact CD1-OH 3.31Å; L499-Y501 HydrophobicContact CD2-CE1 4.09Å; Y501-N509 WeakPolarHBondContact CA-OD1 3.39Å; Y501-N509 HydrophobicContact CD1-CB 3.73Å; Y501-N509 HydrophobicContact CE1-CB 4.26Å; Y501-N513 VanDerWaalsContact CE1-OD1 3.24Å; Y501-N513 WeakPolarHBondContact CE1-OD1 3.15Å; Y501-N513 VanDerWaalsContact CZ-OD1 3.27Å; Y501-N513 PolarHBondContact OH-OD1 3.13Å
502	S	97.8	Very high	97.3	Very high	45 Å²	45	50.7 Å²	50.7	32%	0.315	26%	0.263	S	S	.	.			trans	-108.2	136.8	165.6	168.3	0	0	0	0	110.4	S141 E504 E505 N509	S141-S502 WeakPolarHBondContact CB-O 3.44Å; S502-E504 PolarHBondContact O-N 2.88Å; S502-E504 VanDerWaalsContact O-N 3.13Å; S502-E504 PolarHBondContact OG-N 2.92Å; S502-E504 VanDerWaalsContact OG-N 3.07Å; S502-E505 PolarHBondContact O-N 3.46Å; S502-N509 PolarHBondContact N-OD1 3.12Å; S502-N509 VanDerWaalsContact N-OD1 3.07Å; S502-N509 PolarHBondContact O-ND2 3.17Å
503	A	97.1	Very high	97.4	Very high	42 Å²	42	51 Å²	51	35%	0.347	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.5	173	0	0	0	0	0	113	T137 S141	T137-A503 HydrophobicContact CG2-CB 4.28Å; S141-A503 VanDerWaalsContact CA-O 3.32Å; S141-A503 WeakPolarHBondContact CA-O 3.38Å
504	E	97.6	Very high	97.4	Very high	130 Å²	130	50.7 Å²	50.7	61%	0.607	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-10.7	-175	-64.6	-178.2	-175.4	0	0	113.5	L147 K151 S502	L147-E504 VanDerWaalsContact CD2-CA 3.41Å; L147-E504 HydrophobicContact CD2-CB 3.67Å; L147-E504 HydrophobicContact CD2-CG 4.07Å; L147-E504 WeakPolarHBondContact CD2-O 3.39Å; K151-E504 PolarHBondContact NZ-O 3.02Å; S502-E504 PolarHBondContact O-N 2.88Å; S502-E504 VanDerWaalsContact O-N 3.13Å; S502-E504 PolarHBondContact OG-N 2.92Å; S502-E504 VanDerWaalsContact OG-N 3.07Å
505	E	96.6	Very high	97.4	Very high	66 Å²	66	49 Å²	49	31%	0.308	25%	0.251	S	S	.	.			trans	-121.8	62.2	-171.6	-61.3	-63.3	154.4	0	0	112.6	K151 S502 F507 K508 N509	K151-E505 IonicContact NZ-OE1 3.36Å; K151-E505 PolarHBondContact NZ-OE1 3.17Å; K151-E505 IonicContact NZ-OE2 2.65Å; K151-E505 PolarHBondContact NZ-OE2 3.09Å; S502-E505 PolarHBondContact O-N 3.46Å; E505-F507 PolarHBondContact O-N 2.97Å; E505-K508 HydrophobicContact CB-CB 3.86Å; E505-K508 HydrophobicContact CB-CD 4.48Å; E505-K508 PolarHBondContact O-N 3.2Å; E505-N509 PolarHBondContact O-N 2.76Å; E505-N509 PolarHBondContact O-ND2 2.89Å; E505-N509 PolarHBondContact O-OD1 2.84Å
506	Y	98	Very high	97.5	Very high	28 Å²	28	49.5 Å²	49.5	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-56.9	-46.1	-176.8	-179.5	-128	0	0	0	113.5	S141 C142 I148 Y414 K508 N509 I510	S141-Y506 WeakPolarHBondContact OG-CD2 3.35Å; C142-Y506 HydrophobicContact CB-CD2 3.72Å; C142-Y506 HydrophobicContact CB-CE1 4.46Å; C142-Y506 HydrophobicContact CB-CE2 3.42Å; C142-Y506 VanDerWaalsContact CB-CE2 3.42Å; C142-Y506 HydrophobicContact CB-CG 4.4Å; C142-Y506 PolarHBondContact SG-OH 3.14Å; I148-Y506 HydrophobicContact CD1-CD1 3.68Å; I148-Y506 HydrophobicContact CD1-CE1 4.44Å; I148-Y506 HydrophobicContact CD1-CG 4.26Å; I148-Y506 HydrophobicContact CG1-CD1 4.38Å; Y414-Y506 HydrophobicContact CD1-CE2 4.01Å; Y414-Y506 AromaticContact CE1-CE2 3.86Å; Y414-Y506 HydrophobicContact CE1-CE2 3.86Å; Y506-K508 VanDerWaalsContact C-N 3.34Å; Y506-K508 PolarHBondContact O-N 3.31Å; Y506-N509 WeakPolarHBondContact O-CB 3.22Å; Y506-N509 PolarHBondContact O-N 3.06Å; Y506-N509 VanDerWaalsContact O-N 3.17Å; Y506-I510 HydrophobicContact CD1-CD1 4.01Å; Y506-I510 HydrophobicContact CD2-CD1 4.5Å; Y506-I510 HydrophobicContact CD2-CG1 4.43Å; Y506-I510 HydrophobicContact CE1-CD1 3.58Å; Y506-I510 HydrophobicContact CE1-CG1 4.38Å; Y506-I510 HydrophobicContact CE2-CD1 4.09Å; Y506-I510 HydrophobicContact CE2-CG1 3.98Å; Y506-I510 HydrophobicContact CG-CD1 4.46Å; Y506-I510 WeakPolarHBondContact O-CG1 3.17Å; Y506-I510 PolarHBondContact O-N 3Å
507	F	98.2	Very high	97.5	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.044	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-42.2	179.7	-167.7	-94.2	0	0	0	112	P155 L156 M159 M379 L383 E505 N509 I510 L511	P155-F507 HydrophobicContact CB-CB 3.66Å; P155-F507 HydrophobicContact CB-CD1 3.47Å; P155-F507 VanDerWaalsContact CB-CD1 3.47Å; P155-F507 HydrophobicContact CB-CD2 4.38Å; P155-F507 HydrophobicContact CB-CE1 4.16Å; P155-F507 HydrophobicContact CB-CG 3.59Å; P155-F507 HydrophobicContact CG-CB 4.29Å; P155-F507 VanDerWaalsContact O-CE1 3.29Å; P155-F507 WeakPolarHBondContact O-CE1 3.41Å; L156-F507 HydrophobicContact CB-CZ 4.11Å; L156-F507 HydrophobicContact CD1-CZ 4Å; M159-F507 HydrophobicContact CE-CE1 3.86Å; M159-F507 HydrophobicContact CE-CZ 3.86Å; M379-F507 HydrophobicContact CB-CE2 4.06Å; M379-F507 HydrophobicContact CB-CZ 4.18Å; M379-F507 HydrophobicContact CE-CD2 4.08Å; M379-F507 HydrophobicContact CE-CE1 4.14Å; M379-F507 HydrophobicContact CE-CE2 3.38Å; M379-F507 HydrophobicContact CE-CZ 3.42Å; M379-F507 VanDerWaalsContact CE-CZ 3.42Å; L383-F507 HydrophobicContact CD1-CE2 4.48Å; L383-F507 HydrophobicContact CD2-CD2 3.51Å; L383-F507 HydrophobicContact CD2-CE2 3.55Å; L383-F507 HydrophobicContact CD2-CG 4.26Å; L383-F507 HydrophobicContact CD2-CZ 4.33Å; L383-F507 HydrophobicContact CG-CD2 4.12Å; L383-F507 HydrophobicContact CG-CE2 3.9Å; E505-F507 PolarHBondContact O-N 2.97Å; F507-N509 VanDerWaalsContact C-N 3.34Å; F507-N509 PolarHBondContact O-N 3.25Å; F507-I510 WeakPolarHBondContact O-CB 3.49Å; F507-I510 PolarHBondContact O-N 2.99Å; F507-I510 VanDerWaalsContact O-N 3.16Å; F507-L511 HydrophobicContact CD1-CD1 4.07Å; F507-L511 HydrophobicContact CD1-CG 4.25Å; F507-L511 HydrophobicContact CE1-CD1 3.9Å; F507-L511 HydrophobicContact CE1-CD2 4.16Å; F507-L511 HydrophobicContact CE1-CG 4.16Å; F507-L511 WeakPolarHBondContact O-CG 3.19Å; F507-L511 PolarHBondContact O-N 2.73Å; F507-L511 VanDerWaalsContact O-N 3.11Å
508	K	97.7	Very high	97.5	Very high	122 Å²	122	45.8 Å²	45.8	53%	0.53	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-39.2	175.6	-169.9	177.1	178.4	176	0	111.9	E505 Y506 I510 L511 Q512	E505-K508 HydrophobicContact CB-CB 3.86Å; E505-K508 HydrophobicContact CB-CD 4.48Å; E505-K508 PolarHBondContact O-N 3.2Å; Y506-K508 VanDerWaalsContact C-N 3.34Å; Y506-K508 PolarHBondContact O-N 3.31Å; K508-I510 VanDerWaalsContact C-N 3.26Å; K508-I510 PolarHBondContact O-N 2.71Å; K508-L511 PolarHBondContact O-N 2.9Å; K508-Q512 WeakPolarHBondContact O-CG 3.49Å; K508-Q512 PolarHBondContact O-N 2.98Å
509	N	98.4	Very high	97.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-36.3	174.6	-61	-23.3	0	0	0	111.4	L138 S141 Y501 S502 E505 Y506 F507 Q512 N513	L138-N509 HydrophobicContact CD1-CB 3.51Å; S141-N509 WeakPolarHBondContact CB-ND2 3.45Å; S141-N509 PolarHBondContact OG-ND2 3.5Å; Y501-N509 WeakPolarHBondContact CA-OD1 3.39Å; Y501-N509 HydrophobicContact CD1-CB 3.73Å; Y501-N509 HydrophobicContact CE1-CB 4.26Å; S502-N509 PolarHBondContact N-OD1 3.12Å; S502-N509 VanDerWaalsContact N-OD1 3.07Å; S502-N509 PolarHBondContact O-ND2 3.17Å; E505-N509 PolarHBondContact O-N 2.76Å; E505-N509 PolarHBondContact O-ND2 2.89Å; E505-N509 PolarHBondContact O-OD1 2.84Å; Y506-N509 WeakPolarHBondContact O-CB 3.22Å; Y506-N509 PolarHBondContact O-N 3.06Å; Y506-N509 VanDerWaalsContact O-N 3.17Å; F507-N509 VanDerWaalsContact C-N 3.34Å; F507-N509 PolarHBondContact O-N 3.25Å; N509-Q512 PolarHBondContact O-N 3.08Å; N509-N513 PolarHBondContact O-N 2.91Å; N509-N513 PolarHBondContact O-ND2 3.31Å
510	I	98.1	Very high	97.5	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-49.3	172.5	-65.1	162	0	0	0	110.5	M379 Y414 Y506 F507 K508 Q512 N513 L514	M379-I510 HydrophobicContact CE-CB 4.49Å; M379-I510 HydrophobicContact CE-CG2 3.81Å; M379-I510 HydrophobicContact SD-CG2 4.45Å; Y414-I510 HydrophobicContact CE1-CG1 4.25Å; Y414-I510 HydrophobicContact CE2-CG1 4.46Å; Y414-I510 WeakPolarHBondContact OH-CA 3.3Å; Y414-I510 WeakPolarHBondContact OH-CG1 3.33Å; Y506-I510 HydrophobicContact CD1-CD1 4.01Å; Y506-I510 HydrophobicContact CD2-CD1 4.5Å; Y506-I510 HydrophobicContact CD2-CG1 4.43Å; Y506-I510 HydrophobicContact CE1-CD1 3.58Å; Y506-I510 HydrophobicContact CE1-CG1 4.38Å; Y506-I510 HydrophobicContact CE2-CD1 4.09Å; Y506-I510 HydrophobicContact CE2-CG1 3.98Å; Y506-I510 HydrophobicContact CG-CD1 4.46Å; Y506-I510 WeakPolarHBondContact O-CG1 3.17Å; Y506-I510 PolarHBondContact O-N 3Å; F507-I510 WeakPolarHBondContact O-CB 3.49Å; F507-I510 PolarHBondContact O-N 2.99Å; F507-I510 VanDerWaalsContact O-N 3.16Å; K508-I510 VanDerWaalsContact C-N 3.26Å; K508-I510 PolarHBondContact O-N 2.71Å; I510-Q512 VanDerWaalsContact C-N 3.32Å; I510-Q512 PolarHBondContact O-N 3.13Å; I510-N513 WeakPolarHBondContact O-CB 3.19Å; I510-N513 PolarHBondContact O-N 3.4Å; I510-N513 VanDerWaalsContact O-N 3.16Å; I510-L514 HydrophobicContact CG2-CD1 4.1Å; I510-L514 HydrophobicContact CG2-CG 4.43Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 3.42Å
511	L	97.8	Very high	97.4	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-41	179.3	-57.5	-177.3	0	0	0	112.1	M159 Y194 F375 M379 F507 K508 N513 L514 E515	M159-L511 HydrophobicContact CB-CD1 4.41Å; M159-L511 HydrophobicContact CE-CD2 4.23Å; M159-L511 HydrophobicContact CG-CD1 3.85Å; Y194-L511 HydrophobicContact CD1-CD2 3.89Å; Y194-L511 HydrophobicContact CE1-CD1 4.29Å; Y194-L511 HydrophobicContact CE1-CD2 3.83Å; Y194-L511 HydrophobicContact CE1-CG 4.46Å; F375-L511 HydrophobicContact CZ-CD2 4.42Å; M379-L511 HydrophobicContact CE-CD2 3.56Å; M379-L511 HydrophobicContact SD-CD2 4.43Å; F507-L511 HydrophobicContact CD1-CD1 4.07Å; F507-L511 HydrophobicContact CD1-CG 4.25Å; F507-L511 HydrophobicContact CE1-CD1 3.9Å; F507-L511 HydrophobicContact CE1-CD2 4.16Å; F507-L511 HydrophobicContact CE1-CG 4.16Å; F507-L511 WeakPolarHBondContact O-CG 3.19Å; F507-L511 PolarHBondContact O-N 2.73Å; F507-L511 VanDerWaalsContact O-N 3.11Å; K508-L511 PolarHBondContact O-N 2.9Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 3.05Å; L511-L514 HydrophobicContact CD2-CD1 4.4Å; L511-L514 PolarHBondContact O-N 3.29Å; L511-E515 PolarHBondContact O-N 3.48Å
512	Q	97.9	Very high	97.4	Very high	53 Å²	53	45.7 Å²	45.7	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-41.3	174.9	-75.8	179.7	-23.9	0	0	112.2	L499 S500 K508 N509 I510 Y516	L499-Q512 HydrophobicContact CD2-CB 4.39Å; S500-Q512 PolarHBondContact O-NE2 3.45Å; S500-Q512 VanDerWaalsContact O-NE2 3.14Å; S500-Q512 PolarHBondContact O-OE1 3.43Å; S500-Q512 VanDerWaalsContact O-OE1 3.09Å; K508-Q512 WeakPolarHBondContact O-CG 3.49Å; K508-Q512 PolarHBondContact O-N 2.98Å; N509-Q512 PolarHBondContact O-N 3.08Å; I510-Q512 VanDerWaalsContact C-N 3.32Å; I510-Q512 PolarHBondContact O-N 3.13Å; Q512-Y516 WeakPolarHBondContact O-CB 3.48Å; Q512-Y516 PolarHBondContact O-N 2.95Å
513	N	98.1	Very high	97.4	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.6	-74.8	-17.2	0	0	0	112.5	Y414 N418 Y501 N509 I510 L511 G517	Y414-N513 PolarHBondContact OH-ND2 2.8Å; N418-N513 WeakPolarHBondContact OD1-CB 3.4Å; Y501-N513 VanDerWaalsContact CE1-OD1 3.24Å; Y501-N513 WeakPolarHBondContact CE1-OD1 3.15Å; Y501-N513 VanDerWaalsContact CZ-OD1 3.27Å; Y501-N513 PolarHBondContact OH-OD1 3.13Å; N509-N513 PolarHBondContact O-N 2.91Å; N509-N513 PolarHBondContact O-ND2 3.31Å; I510-N513 WeakPolarHBondContact O-CB 3.19Å; I510-N513 PolarHBondContact O-N 3.4Å; I510-N513 VanDerWaalsContact O-N 3.16Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 3.05Å; N513-G517 PolarHBondContact O-N 2.91Å
514	L	97.5	Very high	97.4	Very high	45 Å²	45	47.2 Å²	47.2	24%	0.236	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-48	177.5	-63.8	169.9	0	0	0	110.7	A195 M379 I510 L511 T518	A195-L514 HydrophobicContact CB-CB 4.2Å; A195-L514 HydrophobicContact CB-CD2 3.95Å; M379-L514 HydrophobicContact SD-CD1 4.07Å; I510-L514 HydrophobicContact CG2-CD1 4.1Å; I510-L514 HydrophobicContact CG2-CG 4.43Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 3.42Å; L511-L514 HydrophobicContact CD2-CD1 4.4Å; L511-L514 PolarHBondContact O-N 3.29Å; L514-T518 PolarHBondContact O-N 3.46Å; L514-T518 VanDerWaalsContact O-N 3.14Å; L514-T518 PolarHBondContact O-OG1 3.39Å
515	E	97.9	Very high	97.5	Very high	53 Å²	53	41.3 Å²	41.3	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-47.5	179.1	-176.6	178.8	170.6	0	0	112	W192 K193 L511 T518 K519	W192-E515 HydrophobicContact CE3-CG 4.37Å; W192-E515 HydrophobicContact CZ3-CG 4.09Å; K193-E515 HydrophobicContact CG-CB 4.48Å; K193-E515 HydrophobicContact CG-CG 4.39Å; K193-E515 WeakPolarHBondContact O-CA 3.46Å; K193-E515 WeakPolarHBondContact O-CB 3.33Å; K193-E515 PolarHBondContact O-N 3.46Å; L511-E515 PolarHBondContact O-N 3.48Å; E515-T518 PolarHBondContact O-N 3.3Å; E515-K519 HydrophobicContact CG-CD 4.07Å; E515-K519 WeakPolarHBondContact O-CB 3.29Å; E515-K519 WeakPolarHBondContact O-CG 3.44Å; E515-K519 PolarHBondContact O-N 3.25Å; E515-K519 WeakPolarHBondContact OE1-CE 3.45Å; E515-K519 IonicContact OE1-NZ 2.76Å; E515-K519 PolarHBondContact OE1-NZ 2.96Å
516	Y	97.8	Very high	97.5	Very high	40 Å²	40	44 Å²	44	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-47.5	179	169.9	-93.8	0	0	0	111.4	E495 D498 L499 Q512 T518 K519 K520	E495-Y516 PolarHBondContact O-OH 3.47Å; D498-Y516 HydrophobicContact CB-CD2 4.35Å; L499-Y516 HydrophobicContact CD1-CD1 3.85Å; L499-Y516 HydrophobicContact CD1-CD2 4.26Å; L499-Y516 HydrophobicContact CD1-CE1 3.97Å; L499-Y516 HydrophobicContact CD1-CE2 4.35Å; L499-Y516 HydrophobicContact CD1-CG 4.02Å; L499-Y516 HydrophobicContact CD2-CD1 4.28Å; L499-Y516 HydrophobicContact CD2-CD2 4.26Å; L499-Y516 HydrophobicContact CD2-CG 3.81Å; L499-Y516 HydrophobicContact CG-CD1 4.25Å; L499-Y516 HydrophobicContact CG-CD2 3.94Å; L499-Y516 HydrophobicContact CG-CE2 4.36Å; L499-Y516 HydrophobicContact CG-CG 3.89Å; Q512-Y516 WeakPolarHBondContact O-CB 3.48Å; Q512-Y516 PolarHBondContact O-N 2.95Å; Y516-T518 PolarHBondContact O-N 3.16Å; Y516-K519 PolarHBondContact O-N 3.45Å; Y516-K520 HydrophobicContact CE1-CD 4.46Å; Y516-K520 WeakPolarHBondContact O-CB 3.42Å; Y516-K520 PolarHBondContact O-N 2.82Å
517	G	96.2	Very high	97.5	Very high	26 Å²	26	47.9 Å²	47.9	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-48.3	179.9	0	0	0	0	0	111.8	N513 K520 Y521	N513-G517 PolarHBondContact O-N 2.91Å; G517-K520 PolarHBondContact O-N 3.5Å; G517-Y521 VanDerWaalsContact O-CD2 3.22Å; G517-Y521 WeakPolarHBondContact O-CD2 3.48Å; G517-Y521 PolarHBondContact O-N 3.15Å
518	T	96.8	Very high	97.4	Very high	18 Å²	18	56.1 Å²	56.1	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-47.6	178.7	-59.5	0	0	0	0	112	W192 A195 L514 E515 Y516 K520 Y521 L522	W192-T518 WeakPolarHBondContact O-CB 3.37Å; A195-T518 WeakPolarHBondContact CB-OG1 3.38Å; L514-T518 PolarHBondContact O-N 3.46Å; L514-T518 VanDerWaalsContact O-N 3.14Å; L514-T518 PolarHBondContact O-OG1 3.39Å; E515-T518 PolarHBondContact O-N 3.3Å; Y516-T518 PolarHBondContact O-N 3.16Å; T518-K520 VanDerWaalsContact C-N 3.28Å; T518-K520 PolarHBondContact O-N 2.96Å; T518-Y521 PolarHBondContact O-N 2.9Å; T518-Y521 VanDerWaalsContact O-N 3.13Å; T518-L522 HydrophobicContact CG2-CD1 3.92Å; T518-L522 HydrophobicContact CG2-CG 4.11Å; T518-L522 WeakPolarHBondContact O-CG 3.17Å; T518-L522 PolarHBondContact O-N 3.47Å
519	K	97.6	Very high	97.4	Very high	50 Å²	50	51.3 Å²	51.3	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-38.5	179.6	-78.2	-177.6	170.1	172.2	0	112.8	V334 E515 Y516 Y521 L522 Q523	V334-K519 HydrophobicContact CG1-CB 4.03Å; V334-K519 HydrophobicContact CG1-CG 3.95Å; E515-K519 HydrophobicContact CG-CD 4.07Å; E515-K519 WeakPolarHBondContact O-CB 3.29Å; E515-K519 WeakPolarHBondContact O-CG 3.44Å; E515-K519 PolarHBondContact O-N 3.25Å; E515-K519 WeakPolarHBondContact OE1-CE 3.45Å; E515-K519 IonicContact OE1-NZ 2.76Å; E515-K519 PolarHBondContact OE1-NZ 2.96Å; Y516-K519 PolarHBondContact O-N 3.45Å; K519-Y521 VanDerWaalsContact C-N 3.31Å; K519-Y521 PolarHBondContact O-N 3.34Å; K519-L522 PolarHBondContact O-N 2.92Å; K519-Q523 VanDerWaalsContact O-CG 3.3Å; K519-Q523 WeakPolarHBondContact O-CG 3.49Å; K519-Q523 PolarHBondContact O-N 2.84Å
520	K	95.5	Very high	97.1	Very high	48 Å²	48	55.8 Å²	55.8	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-43.1	176.3	-173.3	-177.5	174.2	-167.3	0	111.9	E495 Y516 G517 T518 E533	E495-K520 IonicContact OE1-NZ 3.31Å; E495-K520 PolarHBondContact OE1-NZ 3.28Å; Y516-K520 HydrophobicContact CE1-CD 4.46Å; Y516-K520 WeakPolarHBondContact O-CB 3.42Å; Y516-K520 PolarHBondContact O-N 2.82Å; G517-K520 PolarHBondContact O-N 3.5Å; T518-K520 VanDerWaalsContact C-N 3.28Å; T518-K520 PolarHBondContact O-N 2.96Å; K520-E533 IonicContact NZ-OE1 3.43Å
521	Y	95.4	Very high	96.8	Very high	133 Å²	133	57.4 Å²	57.4	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-72.8	-38.6	176.3	-73.2	-73.6	0	0	0	112.8	G517 T518 K519 Q523 K524	G517-Y521 VanDerWaalsContact O-CD2 3.22Å; G517-Y521 WeakPolarHBondContact O-CD2 3.48Å; G517-Y521 PolarHBondContact O-N 3.15Å; T518-Y521 PolarHBondContact O-N 2.9Å; T518-Y521 VanDerWaalsContact O-N 3.13Å; K519-Y521 VanDerWaalsContact C-N 3.31Å; K519-Y521 PolarHBondContact O-N 3.34Å; Y521-Q523 VanDerWaalsContact C-N 3.3Å; Y521-Q523 PolarHBondContact O-N 3.41Å; Y521-K524 WeakPolarHBondContact O-CB 3.44Å; Y521-K524 PolarHBondContact O-N 3.35Å
522	L	98.3	Very high	96.4	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-36.7	178.4	-63.6	177.2	0	0	0	112.4	W192 F202 V204 I330 M331 V334 T518 K519 K524 L525	W192-L522 HydrophobicContact CB-CD1 4.15Å; F202-L522 HydrophobicContact CD1-CD2 4.47Å; F202-L522 HydrophobicContact CE1-CD2 3.86Å; V204-L522 HydrophobicContact CG2-CD2 4.06Å; I330-L522 HydrophobicContact CG2-CD1 3.5Å; I330-L522 VanDerWaalsContact CG2-CD1 3.5Å; I330-L522 HydrophobicContact CG2-CD2 3.78Å; I330-L522 HydrophobicContact CG2-CG 4.29Å; M331-L522 HydrophobicContact CE-CB 4.3Å; M331-L522 WeakPolarHBondContact CE-O 3.32Å; M331-L522 HydrophobicContact SD-CB 4.36Å; M331-L522 HydrophobicContact SD-CD2 3.82Å; V334-L522 HydrophobicContact CG1-CB 3.98Å; V334-L522 HydrophobicContact CG2-CB 3.9Å; T518-L522 HydrophobicContact CG2-CD1 3.92Å; T518-L522 HydrophobicContact CG2-CG 4.11Å; T518-L522 WeakPolarHBondContact O-CG 3.17Å; T518-L522 PolarHBondContact O-N 3.47Å; K519-L522 PolarHBondContact O-N 2.92Å; L522-K524 PolarHBondContact O-N 3.06Å; L522-L525 PolarHBondContact O-N 3.3Å
523	Q	97.3	Very high	96	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-28.2	177.1	-76.3	167.3	-23.4	0	0	112.8	V334 K519 Y521 L525	V334-Q523 HydrophobicContact CB-CG 3.83Å; V334-Q523 HydrophobicContact CG1-CG 3.8Å; K519-Q523 VanDerWaalsContact O-CG 3.3Å; K519-Q523 WeakPolarHBondContact O-CG 3.49Å; K519-Q523 PolarHBondContact O-N 2.84Å; Y521-Q523 VanDerWaalsContact C-N 3.3Å; Y521-Q523 PolarHBondContact O-N 3.41Å; Q523-L525 PolarHBondContact O-N 3.01Å; Q523-L525 VanDerWaalsContact O-N 3.13Å
524	K	97.6	Very high	95.6	Very high	31 Å²	31	62.1 Å²	62.1	14%	0.135	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66.4	-14.3	-178.1	-66.6	-171.7	169	-166.4	0	114.3	H214 Y521 L522 R526 E527 E533	H214-K524 WeakPolarHBondContact CB-O 3.45Å; H214-K524 PolarHBondContact ND1-O 3.41Å; Y521-K524 WeakPolarHBondContact O-CB 3.44Å; Y521-K524 PolarHBondContact O-N 3.35Å; L522-K524 PolarHBondContact O-N 3.06Å; K524-R526 PolarHBondContact O-N 2.68Å; K524-E527 PolarHBondContact O-N 3.26Å; K524-E533 IonicContact NZ-OE1 3.72Å; K524-E533 IonicContact NZ-OE2 3.23Å; K524-E533 PolarHBondContact NZ-OE2 3.17Å
525	L	98.4	Very high	95.1	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-55.7	-28.7	-173	-179.1	58.9	0	0	0	114.1	V204 I216 M331 I336 V338 L522 Q523	V204-L525 HydrophobicContact CG1-CB 3.82Å; V204-L525 HydrophobicContact CG1-CD1 4.14Å; V204-L525 HydrophobicContact CG2-CB 4.1Å; V204-L525 HydrophobicContact CG2-CD1 4.33Å; I216-L525 HydrophobicContact CD1-CD1 4.41Å; I216-L525 HydrophobicContact CD1-CD2 3.61Å; I216-L525 HydrophobicContact CG1-CD1 3.85Å; I216-L525 HydrophobicContact CG1-CD2 3.81Å; I216-L525 HydrophobicContact CG1-CG 4.48Å; M331-L525 HydrophobicContact CE-CB 3.97Å; M331-L525 HydrophobicContact CE-CD2 3.5Å; M331-L525 HydrophobicContact CE-CG 4.37Å; M331-L525 HydrophobicContact SD-CD2 4.4Å; I336-L525 HydrophobicContact CD1-CB 4.18Å; I336-L525 HydrophobicContact CG2-CD2 4.12Å; V338-L525 HydrophobicContact CG2-CD2 4.26Å; L522-L525 PolarHBondContact O-N 3.3Å; Q523-L525 PolarHBondContact O-N 3.01Å; Q523-L525 VanDerWaalsContact O-N 3.13Å
526	R	97.3	Very high	94.9	Very high	122 Å²	122	63.3 Å²	63.3	46%	0.46	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-111.8	3.2	178.4	-55.6	-59.1	177.9	-135.1	4.6	113.1	I336 E342 K524	I336-R526 HydrophobicContact CD1-CG 4.25Å; I336-R526 HydrophobicContact CG2-CG 4.11Å; E342-R526 IonicContact OE1-CZ 3.57Å; E342-R526 IonicContact OE1-NH1 2.89Å; E342-R526 PolarHBondContact OE1-NH1 3.12Å; E342-R526 IonicContact OE1-NH2 3.79Å; E342-R526 PolarHBondContact OE1-NH2 3.25Å; E342-R526 VanDerWaalsContact OE1-NH2 3.08Å; E342-R526 IonicContact OE2-CZ 2.88Å; E342-R526 IonicContact OE2-NH1 2.72Å; E342-R526 IonicContact OE2-NH2 3.89Å; E342-R526 PolarHBondContact OE2-NH2 3.23Å; K524-R526 PolarHBondContact O-N 2.68Å
527	E	97.2	Very high	94.7	Very high	110 Å²	110	61.7 Å²	61.7	51%	0.514	29%	0.291	S	S	.	.	S	Bend	trans	-93	147.9	176.4	-60.8	-176.1	170.8	0	0	109.9	H214 K524	H214-E527 PolarHBondContact ND1-O 3Å; K524-E527 PolarHBondContact O-N 3.26Å
528	K	97.1	Very high	94.7	Very high	183 Å²	183	60.6 Å²	60.6	80%	0.796	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-72.8	151	169.2	-68.2	-169.4	176	-172.4	0	109.9	N530	K528-N530 PolarHBondContact O-N 3.22Å
529	V	96.6	Very high	94.8	Very high	22 Å²	22	59.9 Å²	59.9	13%	0.133	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.7	120.3	174.7	179.3	0	0	0	0	109.4	I206 S211 T212 K531 V549	I206-V529 HydrophobicContact CB-CG2 4.47Å; I206-V529 HydrophobicContact CD1-CG1 3.88Å; I206-V529 HydrophobicContact CD1-CG2 4.39Å; I206-V529 HydrophobicContact CG1-CG1 4.26Å; I206-V529 HydrophobicContact CG1-CG2 3.89Å; I206-V529 HydrophobicContact CG2-CG2 4.17Å; S211-V529 WeakPolarHBondContact O-CB 3.09Å; S211-V529 WeakPolarHBondContact O-CG2 3.13Å; T212-V529 PolarHBondContact O-N 3.5Å; V529-K531 HydrophobicContact CG1-CG 4.19Å; V529-K531 PolarHBondContact O-N 3.24Å; V529-V549 HydrophobicContact CG1-CG1 4.33Å
530	N	93.9	Very high	94.7	Very high	95 Å²	95	59 Å²	59	51%	0.508	28%	0.275	S	S	.	.			trans	-84.7	100.9	169.4	-178.1	7.3	0	0	0	109.4	K528 D532 E533	K528-N530 PolarHBondContact O-N 3.22Å; N530-D532 PolarHBondContact O-N 2.76Å; N530-D532 VanDerWaalsContact O-N 3.17Å; N530-D532 WeakPolarHBondContact OD1-CB 3.49Å; N530-D532 PolarHBondContact OD1-N 2.75Å; N530-E533 HydrophobicContact CB-CB 4.47Å; N530-E533 PolarHBondContact O-N 3.15Å; N530-E533 VanDerWaalsContact O-N 3.13Å
531	K	89.9	Confident	94.7	Very high	50 Å²	50	57.8 Å²	57.8	22%	0.217	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.2	179.1	-68.3	-170.2	178.9	-171.1	0	113.7	S211 R477 R479 V529 V549 D599	S211-K531 WeakPolarHBondContact O-CE 3.38Å; S211-K531 PolarHBondContact OG-NZ 2.89Å; S211-K531 VanDerWaalsContact OG-NZ 3.09Å; R477-K531 PolarHBondContact NE-O 2.89Å; R477-K531 PolarHBondContact NH2-O 2.97Å; R479-K531 PolarHBondContact NH2-O 2.87Å; V529-K531 HydrophobicContact CG1-CG 4.19Å; V529-K531 PolarHBondContact O-N 3.24Å; K531-V549 HydrophobicContact CG-CG1 4.46Å; K531-D599 PolarHBondContact NZ-O 3.38Å
532	D	89.8	Confident	94.7	Very high	96 Å²	96	54.5 Å²	54.5	51%	0.513	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.5	171.2	-65	-45.6	0	0	0	114.6	R479 N530 W534	R479-D532 IonicContact CZ-OD1 2.96Å; R479-D532 IonicContact NH1-OD1 3.93Å; R479-D532 IonicContact NH2-OD1 3.92Å; R479-D532 PolarHBondContact NH2-OD1 3.39Å; N530-D532 PolarHBondContact O-N 2.76Å; N530-D532 VanDerWaalsContact O-N 3.17Å; N530-D532 WeakPolarHBondContact OD1-CB 3.49Å; N530-D532 PolarHBondContact OD1-N 2.75Å; D532-W534 PolarHBondContact O-N 2.93Å
533	E	89.4	Confident	94.6	Very high	52 Å²	52	54.6 Å²	54.6	24%	0.243	26%	0.263	C	S	.	.	S	Bend	trans	-71.2	124.8	173.1	-171.2	174.8	-163	0	0	110.4	K421 K520 K524 N530	K421-E533 IonicContact NZ-OE1 2.84Å; K520-E533 IonicContact NZ-OE1 3.43Å; K524-E533 IonicContact NZ-OE1 3.72Å; K524-E533 IonicContact NZ-OE2 3.23Å; K524-E533 PolarHBondContact NZ-OE2 3.17Å; N530-E533 HydrophobicContact CB-CB 4.47Å; N530-E533 PolarHBondContact O-N 3.15Å; N530-E533 VanDerWaalsContact O-N 3.13Å
534	W	91.2	Very high	94.5	Very high	34 Å²	34	53.1 Å²	53.1	13%	0.129	26%	0.255	C	S	.	.			trans	-70.3	134.1	174.8	-75	47.6	0	0	0	110.6	R479 Y482 D532 I536 V553	R479-W534 HydrophobicContact CB-CD2 4.1Å; R479-W534 HydrophobicContact CB-CE3 4.18Å; R479-W534 HydrophobicContact CB-CH2 3.73Å; R479-W534 HydrophobicContact CB-CZ2 3.64Å; R479-W534 HydrophobicContact CB-CZ3 4Å; R479-W534 HydrophobicContact CG-CD2 4.38Å; R479-W534 HydrophobicContact CG-CZ2 4.32Å; Y482-W534 VanDerWaalsContact CA-CH2 3.4Å; Y482-W534 WeakPolarHBondContact O-CH2 3.47Å; Y482-W534 WeakPolarHBondContact O-CZ2 3.2Å; D532-W534 PolarHBondContact O-N 2.93Å; W534-I536 PolarHBondContact O-N 3.48Å; W534-V553 HydrophobicContact CE3-CG1 3.83Å; W534-V553 HydrophobicContact CZ3-CG1 3.89Å
535	I	87	Confident	94.5	Very high	76 Å²	76	53.1 Å²	53.1	39%	0.39	26%	0.255	S	S	.	.	S	Bend	trans	-71.4	-15.1	178.7	66.7	-179.8	0	0	0	113.6	F544 V553	I535-F544 HydrophobicContact CD1-CB 4.01Å; I535-V553 HydrophobicContact CD1-CG2 3.91Å; I535-V553 HydrophobicContact CG1-CG2 3.93Å
536	I	92.3	Very high	94.3	Very high	47 Å²	47	53.5 Å²	53.5	24%	0.241	26%	0.257	C	S	.	.	S	Bend	trans	-151.8	147.7	-174.7	-165.4	65.1	0	0	0	111.6	W534 V540 F544 V553 P555	W534-I536 PolarHBondContact O-N 3.48Å; I536-V540 HydrophobicContact CD1-CG2 4.18Å; I536-V540 HydrophobicContact CG1-CB 4.29Å; I536-V540 HydrophobicContact CG1-CG1 4.27Å; I536-V540 HydrophobicContact CG1-CG2 3.84Å; I536-F544 HydrophobicContact CB-CD2 4.46Å; I536-F544 HydrophobicContact CB-CE2 4.19Å; I536-F544 HydrophobicContact CG1-CE2 3.84Å; I536-F544 HydrophobicContact CG1-CZ 4.19Å; I536-F544 HydrophobicContact CG2-CD2 3.83Å; I536-F544 HydrophobicContact CG2-CE2 3.84Å; I536-V553 HydrophobicContact CG2-CB 4.47Å; I536-V553 HydrophobicContact CG2-CG1 3.76Å; I536-P555 HydrophobicContact CG2-CG 3.82Å
537	G	94.4	Very high	94.2	Very high	6 Å²	6	48 Å²	48	6%	0.062	24%	0.238	C	C	.	.			trans	-71.6	163.7	174.5	0	0	0	0	0	115	D420 V540	D420-G537 PolarHBondContact OD2-N 2.92Å; G537-V540 WeakPolarHBondContact O-CG2 3.42Å
538	A	96.6	Very high	93.9	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	22%	0.217	C	C	.	.	S	Bend	trans	-70.7	-31.8	-173.1	0	0	0	0	0	114.9	V428 G481 V540 P555 A556 G557	V428-A538 HydrophobicContact CG1-CB 3.79Å; G481-A538 WeakPolarHBondContact O-CB 3.28Å; A538-V540 PolarHBondContact O-N 3.22Å; A538-P555 WeakPolarHBondContact O-CB 3.48Å; A538-A556 HydrophobicContact CB-CB 4.35Å; A538-A556 PolarHBondContact O-N 2.71Å; A538-G557 PolarHBondContact O-N 2.8Å
539	A	97.2	Very high	93.8	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.182	C	C	.	.	S	Bend	trans	-84.7	54.8	-176.5	0	0	0	0	0	112	L113 L117 N416 Y427	L113-A539 HydrophobicContact CD1-CB 4.5Å; L117-A539 HydrophobicContact CD2-CB 4.25Å; N416-A539 PolarHBondContact ND2-O 3.17Å; Y427-A539 HydrophobicContact CD1-CB 3.98Å; Y427-A539 HydrophobicContact CD2-CB 4.28Å; Y427-A539 HydrophobicContact CG-CB 3.73Å
540	V	96.7	Very high	93.8	Very high	32 Å²	32	34.2 Å²	34.2	19%	0.194	18%	0.176	C	C	.	.			trans	-131.5	134.7	-177.3	175.5	0	0	0	0	109.9	I536 G537 A538 N542 F544 P555 G557 I558	I536-V540 HydrophobicContact CD1-CG2 4.18Å; I536-V540 HydrophobicContact CG1-CB 4.29Å; I536-V540 HydrophobicContact CG1-CG1 4.27Å; I536-V540 HydrophobicContact CG1-CG2 3.84Å; G537-V540 WeakPolarHBondContact O-CG2 3.42Å; A538-V540 PolarHBondContact O-N 3.22Å; V540-N542 HydrophobicContact CG1-CB 4.01Å; V540-N542 PolarHBondContact O-N 3.39Å; V540-F544 HydrophobicContact CG1-CE2 4.07Å; V540-F544 HydrophobicContact CG1-CZ 4.15Å; V540-P555 HydrophobicContact CB-CB 4.11Å; V540-P555 HydrophobicContact CB-CG 4.13Å; V540-G557 CarbonylContact O-C 3.52Å; V540-G557 WeakPolarHBondContact O-CA 3.26Å; V540-I558 PolarHBondContact O-N 3.21Å
541	I	95.3	Very high	93.9	Very high	23 Å²	23	29.7 Å²	29.7	12%	0.118	15%	0.152	C	C	.	.	S	Bend	trans	-100.7	82.6	173.8	-60.4	148	0	0	0	107.5	Y106 L109 K110 L113 G557	Y106-I541 HydrophobicContact CD1-CG2 3.98Å; Y106-I541 HydrophobicContact CE1-CG2 4.47Å; L109-I541 HydrophobicContact CB-CD1 3.68Å; L109-I541 HydrophobicContact CB-CG1 4.35Å; L109-I541 HydrophobicContact CB-CG2 4.23Å; L109-I541 HydrophobicContact CD1-CG2 4.16Å; L109-I541 VanDerWaalsContact O-CD1 3.3Å; L109-I541 WeakPolarHBondContact O-CD1 3.36Å; K110-I541 HydrophobicContact CB-CD1 3.97Å; L113-I541 HydrophobicContact CB-CD1 3.89Å; L113-I541 HydrophobicContact CD1-CD1 3.9Å; L113-I541 HydrophobicContact CD1-CG1 3.94Å; L113-I541 HydrophobicContact CG-CD1 4.49Å; I541-G557 VanDerWaalsContact CG1-O 3.3Å; I541-G557 WeakPolarHBondContact CG1-O 3.31Å
542	N	94.8	Very high	94.3	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	14%	0.141	S	C	.	.			trans	-165.2	178.5	171.6	-151.2	18.6	0	0	0	109.3	V540 F544 P555 I558	V540-N542 HydrophobicContact CG1-CB 4.01Å; V540-N542 PolarHBondContact O-N 3.39Å; N542-F544 HydrophobicContact CB-CE1 4.3Å; N542-F544 HydrophobicContact CB-CE2 3.78Å; N542-F544 HydrophobicContact CB-CZ 3.6Å; N542-F544 WeakPolarHBondContact ND2-CE1 2.99Å; N542-F544 WeakPolarHBondContact ND2-CZ 3.32Å; N542-P555 VanDerWaalsContact O-CD 3.29Å; N542-P555 WeakPolarHBondContact O-CD 3.24Å; N542-I558 WeakPolarHBondContact O-CB 3.36Å; N542-I558 WeakPolarHBondContact O-CG2 3.27Å
543	A	96.3	Very high	94.7	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.041	12%	0.117	C	C	.	.			trans	-131.7	165	161.3	0	0	0	0	0	108.8	V553 F554 I558 V580 E584	A543-V553 WeakPolarHBondContact CA-O 3.4Å; A543-F554 HydrophobicContact CB-CD1 3.65Å; A543-F554 HydrophobicContact CB-CE1 3.83Å; A543-I558 HydrophobicContact CB-CD1 4.4Å; A543-V580 HydrophobicContact CB-CG1 3.51Å; A543-E584 HydrophobicContact CB-CG 3.75Å; A543-E584 WeakPolarHBondContact CB-OE1 3.28Å
544	F	96.1	Very high	95.1	Very high	56 Å²	56	20.2 Å²	20.2	25%	0.246	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.3	-174.4	-52.3	-88.8	0	0	0	112.1	I535 I536 V540 N542 I552 V553 P555 E584	I535-F544 HydrophobicContact CD1-CB 4.01Å; I536-F544 HydrophobicContact CB-CD2 4.46Å; I536-F544 HydrophobicContact CB-CE2 4.19Å; I536-F544 HydrophobicContact CG1-CE2 3.84Å; I536-F544 HydrophobicContact CG1-CZ 4.19Å; I536-F544 HydrophobicContact CG2-CD2 3.83Å; I536-F544 HydrophobicContact CG2-CE2 3.84Å; V540-F544 HydrophobicContact CG1-CE2 4.07Å; V540-F544 HydrophobicContact CG1-CZ 4.15Å; N542-F544 HydrophobicContact CB-CE1 4.3Å; N542-F544 HydrophobicContact CB-CE2 3.78Å; N542-F544 HydrophobicContact CB-CZ 3.6Å; N542-F544 WeakPolarHBondContact ND2-CE1 2.99Å; N542-F544 WeakPolarHBondContact ND2-CZ 3.32Å; F544-I552 CarbonylContact O-C 3.57Å; F544-I552 WeakPolarHBondContact O-CA 3.49Å; F544-V553 PolarHBondContact N-O 3.13Å; F544-V553 VanDerWaalsContact N-O 3.12Å; F544-V553 PolarHBondContact O-N 3.45Å; F544-P555 HydrophobicContact CE2-CG 4.35Å; F544-E584 VanDerWaalsContact CA-OE2 3.22Å; F544-E584 WeakPolarHBondContact CA-OE2 3.03Å; F544-E584 PolarHBondContact N-OE2 3.31Å
545	Y	97.1	Very high	95.3	Very high	32 Å²	32	18.6 Å²	18.6	13%	0.125	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.8	161.6	173.8	-96.6	0	0	0	110.2	S547 N550 E551 I552 E584 H587 G588	Y545-S547 WeakPolarHBondContact CE1-OG 3.43Å; Y545-N550 PolarHBondContact OH-OD1 2.96Å; Y545-E551 CarbonylContact C-O 3.37Å; Y545-E551 VanDerWaalsContact CA-O 3.32Å; Y545-E551 WeakPolarHBondContact CA-O 3.25Å; Y545-E551 WeakPolarHBondContact CD2-O 3.46Å; Y545-I552 HydrophobicContact CD2-CG2 3.78Å; Y545-E584 WeakPolarHBondContact CB-O 3.15Å; Y545-E584 PolarHBondContact N-OE2 2.93Å; Y545-H587 HydrophobicContact CD1-CB 3.58Å; Y545-H587 HydrophobicContact CE1-CB 4.47Å; Y545-H587 HydrophobicContact CG-CB 3.65Å; Y545-G588 WeakPolarHBondContact OH-CA 3.41Å
546	S	95.1	Very high	95.8	Very high	12 Å²	12	15.1 Å²	15.1	8%	0.084	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.6	172.7	-176.8	0	0	0	0	110.8	N550 E551	S546-N550 WeakPolarHBondContact O-CA 3.22Å; S546-N550 PolarHBondContact O-N 3.12Å; S546-E551 PolarHBondContact N-O 3.16Å; S546-E551 PolarHBondContact O-N 2.98Å
547	S	94	Very high	95.9	Very high	8 Å²	8	12.9 Å²	12.9	6%	0.056	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-63.8	-44.1	-179.4	-60.3	0	0	0	0	112.9	Y545 V549 N550 G600	Y545-S547 WeakPolarHBondContact CE1-OG 3.43Å; S547-V549 PolarHBondContact O-N 2.86Å; S547-V549 VanDerWaalsContact O-N 3.15Å; S547-N550 PolarHBondContact O-N 3.29Å; S547-G600 VanDerWaalsContact O-CA 3.25Å; S547-G600 WeakPolarHBondContact O-CA 3.01Å
548	D	91.3	Very high	96	Very high	13 Å²	13	12.6 Å²	12.6	7%	0.07	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-70.7	-15.9	-168.9	-37.6	-37.6	0	0	0	112.3	Y205 I206 S211 Y596 G600	Y205-D548 VanDerWaalsContact CE1-OD2 3.3Å; Y205-D548 WeakPolarHBondContact CE1-OD2 3.21Å; Y205-D548 PolarHBondContact OH-OD2 3.38Å; I206-D548 HydrophobicContact CB-CB 4.36Å; I206-D548 HydrophobicContact CD1-CB 4.14Å; I206-D548 HydrophobicContact CG2-CB 4.06Å; S211-D548 WeakPolarHBondContact CB-O 3.03Å; D548-Y596 VanDerWaalsContact OD1-CE1 3.27Å; D548-Y596 WeakPolarHBondContact OD1-CE1 3.47Å; D548-G600 WeakPolarHBondContact CA-O 3.31Å
549	V	94.6	Very high	95.9	Very high	10 Å²	10	12.9 Å²	12.9	6%	0.061	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-126	2.1	178.1	-59.7	0	0	0	0	113	I206 R477 V529 K531 S547 E551	I206-V549 HydrophobicContact CD1-CG1 3.72Å; R477-V549 PolarHBondContact NH1-O 3.44Å; R477-V549 PolarHBondContact NH2-O 2.58Å; V529-V549 HydrophobicContact CG1-CG1 4.33Å; K531-V549 HydrophobicContact CG-CG1 4.46Å; S547-V549 PolarHBondContact O-N 2.86Å; S547-V549 VanDerWaalsContact O-N 3.15Å; V549-E551 HydrophobicContact CG2-CB 3.82Å
550	N	97	Very high	95.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	59.6	-178.3	-167	28.8	0	0	0	112.9	K472 I476 R477 Y545 S546 S547 K598	K472-N550 PolarHBondContact O-ND2 2.81Å; I476-N550 WeakPolarHBondContact CA-O 3.22Å; I476-N550 WeakPolarHBondContact CG1-OD1 3.32Å; R477-N550 PolarHBondContact N-O 2.97Å; Y545-N550 PolarHBondContact OH-OD1 2.96Å; S546-N550 WeakPolarHBondContact O-CA 3.22Å; S546-N550 PolarHBondContact O-N 3.12Å; S547-N550 PolarHBondContact O-N 3.29Å; N550-K598 PolarHBondContact ND2-O 2.96Å
551	E	96.8	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.9	-171	-174.1	174	91.8	0	0	112.3	R477 R479 Y545 S546 V549 V553	R477-E551 HydrophobicContact CB-CB 4.34Å; R477-E551 HydrophobicContact CB-CG 4.12Å; R477-E551 IonicContact CZ-OE2 3.4Å; R477-E551 IonicContact NE-OE2 2.76Å; R477-E551 PolarHBondContact NE-OE2 3.41Å; R477-E551 IonicContact NH2-OE2 3.88Å; R477-E551 PolarHBondContact NH2-OE2 2.84Å; R477-E551 CarbonylContact O-C 3.59Å; R477-E551 VanDerWaalsContact O-CA 3.3Å; R477-E551 WeakPolarHBondContact O-CA 3.5Å; R477-E551 WeakPolarHBondContact O-CG 3.14Å; R479-E551 HydrophobicContact CG-CG 3.78Å; R479-E551 IonicContact CZ-OE2 3.98Å; R479-E551 IonicContact NE-OE1 3.52Å; R479-E551 IonicContact NE-OE2 2.71Å; R479-E551 PolarHBondContact NE-OE2 3.46Å; R479-E551 IonicContact NH2-OE2 3.53Å; R479-E551 PolarHBondContact NH2-OE2 2.04Å; Y545-E551 CarbonylContact C-O 3.37Å; Y545-E551 VanDerWaalsContact CA-O 3.32Å; Y545-E551 WeakPolarHBondContact CA-O 3.25Å; Y545-E551 WeakPolarHBondContact CD2-O 3.46Å; S546-E551 PolarHBondContact N-O 3.16Å; S546-E551 PolarHBondContact O-N 2.98Å; V549-E551 HydrophobicContact CG2-CB 3.82Å; E551-V553 HydrophobicContact CG-CG2 4.02Å
552	I	97.8	Very high	95.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.6	169.5	60.1	-177.7	0	0	0	110.3	I444 I476 R477 E478 R479 F544 Y545 F554 E584 I585	I444-I552 HydrophobicContact CG2-CD1 4.11Å; I476-I552 HydrophobicContact CG2-CB 4.39Å; I476-I552 HydrophobicContact CG2-CD1 3.97Å; I476-I552 HydrophobicContact CG2-CG1 3.86Å; I476-I552 HydrophobicContact CG2-CG2 3.89Å; R477-I552 PolarHBondContact O-N 2.8Å; E478-I552 HydrophobicContact CB-CD1 4.34Å; E478-I552 HydrophobicContact CB-CG1 4.07Å; R479-I552 PolarHBondContact N-O 2.79Å; F544-I552 CarbonylContact O-C 3.57Å; F544-I552 WeakPolarHBondContact O-CA 3.49Å; Y545-I552 HydrophobicContact CD2-CG2 3.78Å; I552-F554 HydrophobicContact CB-CE2 4.02Å; I552-F554 HydrophobicContact CB-CZ 4.32Å; I552-F554 HydrophobicContact CD1-CE2 3.77Å; I552-F554 HydrophobicContact CD1-CZ 4.21Å; I552-F554 HydrophobicContact CG1-CE2 3.84Å; I552-F554 HydrophobicContact CG1-CZ 4.47Å; I552-E584 HydrophobicContact CB-CB 4.13Å; I552-E584 HydrophobicContact CG2-CB 3.69Å; I552-I585 HydrophobicContact CD1-CG1 3.95Å
553	V	97.3	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.7	-176.1	-171.2	0	0	0	0	111.5	R479 W534 I535 I536 A543 F544 E551 P555	R479-V553 HydrophobicContact CB-CB 4.23Å; R479-V553 HydrophobicContact CB-CG1 3.94Å; R479-V553 HydrophobicContact CB-CG2 3.93Å; R479-V553 HydrophobicContact CG-CG2 4.1Å; R479-V553 WeakPolarHBondContact O-CA 3.42Å; W534-V553 HydrophobicContact CE3-CG1 3.83Å; W534-V553 HydrophobicContact CZ3-CG1 3.89Å; I535-V553 HydrophobicContact CD1-CG2 3.91Å; I535-V553 HydrophobicContact CG1-CG2 3.93Å; I536-V553 HydrophobicContact CG2-CB 4.47Å; I536-V553 HydrophobicContact CG2-CG1 3.76Å; A543-V553 WeakPolarHBondContact CA-O 3.4Å; F544-V553 PolarHBondContact N-O 3.13Å; F544-V553 VanDerWaalsContact N-O 3.12Å; F544-V553 PolarHBondContact O-N 3.45Å; E551-V553 HydrophobicContact CG-CG2 4.02Å; V553-P555 HydrophobicContact CG1-CG 4.41Å
554	F	97.3	Very high	95.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	89	175.7	-53.9	-84.4	0	0	0	109.8	M440 I444 R479 G481 A543 I552 I558 L559 I577 V580 I581 E584	M440-F554 HydrophobicContact CE-CB 3.96Å; M440-F554 HydrophobicContact CE-CD1 3.64Å; M440-F554 HydrophobicContact CE-CD2 3.51Å; M440-F554 HydrophobicContact CE-CE1 3.99Å; M440-F554 HydrophobicContact CE-CE2 3.86Å; M440-F554 HydrophobicContact CE-CG 3.4Å; M440-F554 HydrophobicContact CE-CZ 4.12Å; I444-F554 HydrophobicContact CD1-CD2 4.02Å; I444-F554 HydrophobicContact CD1-CE2 3.83Å; I444-F554 HydrophobicContact CG1-CE2 4.31Å; R479-F554 PolarHBondContact O-N 3.34Å; G481-F554 PolarHBondContact N-O 3.42Å; A543-F554 HydrophobicContact CB-CD1 3.65Å; A543-F554 HydrophobicContact CB-CE1 3.83Å; I552-F554 HydrophobicContact CB-CE2 4.02Å; I552-F554 HydrophobicContact CB-CZ 4.32Å; I552-F554 HydrophobicContact CD1-CE2 3.77Å; I552-F554 HydrophobicContact CD1-CZ 4.21Å; I552-F554 HydrophobicContact CG1-CE2 3.84Å; I552-F554 HydrophobicContact CG1-CZ 4.47Å; F554-I558 HydrophobicContact CB-CG2 4.4Å; F554-L559 HydrophobicContact CB-CD2 4.3Å; F554-I577 HydrophobicContact CD1-CD1 4.33Å; F554-V580 HydrophobicContact CD1-CG1 4.49Å; F554-V580 HydrophobicContact CE1-CG1 4.11Å; F554-I581 HydrophobicContact CE1-CG1 3.93Å; F554-I581 HydrophobicContact CE2-CG1 4.34Å; F554-I581 HydrophobicContact CZ-CB 4.17Å; F554-I581 HydrophobicContact CZ-CG1 3.77Å; F554-E584 HydrophobicContact CE1-CB 4.44Å; F554-E584 HydrophobicContact CE1-CG 3.83Å; F554-E584 HydrophobicContact CZ-CB 4.09Å; F554-E584 HydrophobicContact CZ-CG 3.97Å
555	P	96.9	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	151.4	177.5	-22.6	33.5	0	0	0	112.5	I536 A538 V540 N542 F544 V553 G557 I558	I536-P555 HydrophobicContact CG2-CG 3.82Å; A538-P555 WeakPolarHBondContact O-CB 3.48Å; V540-P555 HydrophobicContact CB-CB 4.11Å; V540-P555 HydrophobicContact CB-CG 4.13Å; N542-P555 VanDerWaalsContact O-CD 3.29Å; N542-P555 WeakPolarHBondContact O-CD 3.24Å; F544-P555 HydrophobicContact CE2-CG 4.35Å; V553-P555 HydrophobicContact CG1-CG 4.41Å; P555-G557 PolarHBondContact O-N 3.08Å; P555-I558 WeakPolarHBondContact O-CG2 3.34Å; P555-I558 PolarHBondContact O-N 3Å
556	A	96	Very high	94.7	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.017	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30	178.6	0	0	0	0	0	113.2	Y427 V428 F432 G481 A538 I558 L559	Y427-A556 HydrophobicContact CD1-CB 4.39Å; Y427-A556 HydrophobicContact CE1-CB 4.03Å; V428-A556 HydrophobicContact CG1-CB 3.76Å; F432-A556 HydrophobicContact CB-CB 4.13Å; F432-A556 HydrophobicContact CD1-CB 4.4Å; F432-A556 HydrophobicContact CD2-CB 3.55Å; F432-A556 HydrophobicContact CE2-CB 4.03Å; F432-A556 HydrophobicContact CG-CB 3.76Å; G481-A556 PolarHBondContact O-N 2.96Å; A538-A556 HydrophobicContact CB-CB 4.35Å; A538-A556 PolarHBondContact O-N 2.71Å; A556-I558 VanDerWaalsContact C-N 3.35Å; A556-I558 PolarHBondContact O-N 3.41Å; A556-L559 PolarHBondContact O-N 3.36Å
557	G	95.5	Very high	94.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.7	177.4	0	0	0	0	0	115.3	A538 V540 I541 P555 Q560	A538-G557 PolarHBondContact O-N 2.8Å; V540-G557 CarbonylContact O-C 3.52Å; V540-G557 WeakPolarHBondContact O-CA 3.26Å; I541-G557 VanDerWaalsContact CG1-O 3.3Å; I541-G557 WeakPolarHBondContact CG1-O 3.31Å; P555-G557 PolarHBondContact O-N 3.08Å; G557-Q560 PolarHBondContact O-NE2 3.3Å
558	I	95.6	Very high	94.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.8	176.1	-160	166.7	0	0	0	112.9	V540 N542 A543 F554 P555 A556 Q560 F563 I577 V580	V540-I558 PolarHBondContact O-N 3.21Å; N542-I558 WeakPolarHBondContact O-CB 3.36Å; N542-I558 WeakPolarHBondContact O-CG2 3.27Å; A543-I558 HydrophobicContact CB-CD1 4.4Å; F554-I558 HydrophobicContact CB-CG2 4.4Å; P555-I558 WeakPolarHBondContact O-CG2 3.34Å; P555-I558 PolarHBondContact O-N 3Å; A556-I558 VanDerWaalsContact C-N 3.35Å; A556-I558 PolarHBondContact O-N 3.41Å; I558-Q560 PolarHBondContact O-N 3.18Å; I558-F563 HydrophobicContact CG1-CD1 4.42Å; I558-F563 HydrophobicContact CG1-CD2 3.98Å; I558-F563 HydrophobicContact CG1-CE2 4.28Å; I558-F563 HydrophobicContact CG1-CG 4.07Å; I558-I577 HydrophobicContact CG1-CD1 4.44Å; I558-I577 HydrophobicContact CG2-CD1 4.14Å; I558-V580 HydrophobicContact CD1-CG1 4.34Å
559	L	94.6	Very high	94.6	Very high	11 Å²	11	15.1 Å²	15.1	6%	0.058	9%	0.085	C	C	.	.	S	Bend	trans	-80.8	54.7	-175.2	-58.3	-179.1	0	0	0	112.4	F432 M440 I480 F554 A556 F564 I577	F432-L559 HydrophobicContact CE2-CB 4Å; F432-L559 HydrophobicContact CE2-CD1 3.71Å; F432-L559 HydrophobicContact CE2-CG 4.47Å; F432-L559 HydrophobicContact CZ-CD1 4Å; M440-L559 HydrophobicContact CE-CD2 4.28Å; M440-L559 HydrophobicContact CG-CD2 4.38Å; M440-L559 HydrophobicContact SD-CD2 3.89Å; I480-L559 HydrophobicContact CG2-CD1 3.89Å; F554-L559 HydrophobicContact CB-CD2 4.3Å; A556-L559 PolarHBondContact O-N 3.36Å; L559-F564 HydrophobicContact CB-CD1 4.31Å; L559-I577 HydrophobicContact CD2-CD1 4.02Å; L559-I577 HydrophobicContact CD2-CG1 4.15Å
560	Q	92.9	Very high	94.7	Very high	39 Å²	39	16.3 Å²	16.3	18%	0.182	9%	0.09	C	C	.	.	S	Bend	trans	-145.1	162.4	-179.9	63.4	-178.8	-60.3	0	0	111.4	L109 G557 I558 F563 F564	L109-Q560 HydrophobicContact CD2-CG 4.37Å; G557-Q560 PolarHBondContact O-NE2 3.3Å; I558-Q560 PolarHBondContact O-N 3.18Å; Q560-F563 PolarHBondContact O-N 3.12Å; Q560-F564 CarbonylContact C-O 3.58Å; Q560-F564 VanDerWaalsContact CA-O 3.26Å; Q560-F564 WeakPolarHBondContact CA-O 3.47Å; Q560-F564 PolarHBondContact O-N 3.05Å
561	P	92.9	Very high	94.7	Very high	58 Å²	58	16.2 Å²	16.2	38%	0.377	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	144.4	177.3	-27.3	34.7	0	0	0	111.9	L109 F564	L109-P561 WeakPolarHBondContact CD2-O 3.48Å; P561-F564 VanDerWaalsContact CD-O 3.24Å; P561-F564 WeakPolarHBondContact CD-O 3.3Å
562	P	93.9	Very high	94.8	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.026	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	-2.1	1.5	35.4	-38.2	0	0	0	115.4	L105 Q568 N688 I692	L105-P562 HydrophobicContact CD1-CG 3.8Å; L105-P562 HydrophobicContact CD2-CG 3.21Å; L105-P562 HydrophobicContact CG-CG 4.12Å; P562-Q568 PolarHBondContact O-NE2 3.33Å; P562-N688 PolarHBondContact O-ND2 3.39Å; P562-N688 VanDerWaalsContact O-ND2 3.07Å; P562-I692 HydrophobicContact CG-CG2 4.08Å
563	F	95.2	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-49.5	179.4	-64.6	-79.6	0	0	0	110.7	L105 Y106 L109 I558 Q560 I577 V580 I692	L105-F563 HydrophobicContact CD2-CE2 3.82Å; L105-F563 HydrophobicContact CD2-CZ 3.94Å; Y106-F563 HydrophobicContact CD2-CZ 4.46Å; Y106-F563 HydrophobicContact CE1-CZ 4.03Å; Y106-F563 HydrophobicContact CE2-CE1 4.49Å; Y106-F563 AromaticContact CE2-CZ 3.79Å; Y106-F563 HydrophobicContact CE2-CZ 3.79Å; Y106-F563 AromaticContact CZ-CZ 3.54Å; L109-F563 HydrophobicContact CD1-CD2 3.91Å; L109-F563 HydrophobicContact CD1-CE2 3.56Å; I558-F563 HydrophobicContact CG1-CD1 4.42Å; I558-F563 HydrophobicContact CG1-CD2 3.98Å; I558-F563 HydrophobicContact CG1-CE2 4.28Å; I558-F563 HydrophobicContact CG1-CG 4.07Å; Q560-F563 PolarHBondContact O-N 3.12Å; F563-I577 HydrophobicContact CB-CB 4.35Å; F563-I577 HydrophobicContact CB-CD1 4.4Å; F563-I577 WeakPolarHBondContact O-CB 3.38Å; F563-I577 PolarHBondContact O-N 2.84Å; F563-V580 HydrophobicContact CD1-CG2 4.12Å; F563-V580 HydrophobicContact CE1-CG2 4.27Å; F563-I692 HydrophobicContact CD1-CB 4.35Å; F563-I692 HydrophobicContact CD1-CD1 4.24Å; F563-I692 HydrophobicContact CD1-CG2 3.96Å; F563-I692 HydrophobicContact CE1-CB 3.77Å; F563-I692 HydrophobicContact CE1-CD1 3.78Å; F563-I692 HydrophobicContact CE1-CG1 4.37Å; F563-I692 HydrophobicContact CE1-CG2 3.89Å; F563-I692 HydrophobicContact CZ-CB 4.18Å; F563-I692 HydrophobicContact CZ-CG2 4.42Å
564	F	94.6	Very high	94.8	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	9%	0.09	C	C	.	.			trans	-146.6	135.8	-172.5	178	-99	0	0	0	112.8	L439 M443 L559 Q560 P561 N573 I577	L439-F564 HydrophobicContact CB-CE2 4.29Å; L439-F564 HydrophobicContact CB-CZ 4.08Å; L439-F564 HydrophobicContact CD2-CE2 3.52Å; L439-F564 HydrophobicContact CD2-CZ 3.68Å; L439-F564 HydrophobicContact CG-CE2 3.78Å; L439-F564 HydrophobicContact CG-CZ 4.03Å; M443-F564 HydrophobicContact SD-CE2 4.47Å; L559-F564 HydrophobicContact CB-CD1 4.31Å; Q560-F564 CarbonylContact C-O 3.58Å; Q560-F564 VanDerWaalsContact CA-O 3.26Å; Q560-F564 WeakPolarHBondContact CA-O 3.47Å; Q560-F564 PolarHBondContact O-N 3.05Å; P561-F564 VanDerWaalsContact CD-O 3.24Å; P561-F564 WeakPolarHBondContact CD-O 3.3Å; F564-N573 WeakPolarHBondContact CA-OD1 3.27Å; F564-I577 HydrophobicContact CB-CB 4.08Å; F564-I577 HydrophobicContact CB-CG2 3.99Å; F564-I577 HydrophobicContact CD2-CG2 3.77Å; F564-I577 HydrophobicContact CG-CG2 4.33Å
565	S	91.6	Very high	94.9	Very high	22 Å²	22	16.3 Å²	16.3	15%	0.154	9%	0.09	C	C	.	.			trans	-154.4	143.1	159.4	162.2	0	0	0	0	109.7	G567 Q568 N573	S565-G567 PolarHBondContact O-N 3Å; S565-G567 PolarHBondContact OG-N 3.41Å; S565-G567 VanDerWaalsContact OG-N 3.12Å; S565-Q568 WeakPolarHBondContact O-CG 3.41Å; S565-Q568 PolarHBondContact O-N 3.15Å; S565-N573 PolarHBondContact N-OD1 3.47Å; S565-N573 PolarHBondContact O-ND2 2.93Å; S565-N573 PolarHBondContact O-OD1 2.87Å
566	K	87.8	Confident	94.9	Very high	130 Å²	130	16.3 Å²	16.3	57%	0.565	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-33.4	174.4	-175.8	174.1	179.6	170.5	0	112.3
567	G	88.8	Confident	95	Very high	27 Å²	27	16.2 Å²	16.2	28%	0.278	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-11.6	-175.7	0	0	0	0	0	115.2	D60 S565	D60-G567 VanDerWaalsContact CB-C 3.49Å; D60-G567 VanDerWaalsContact CB-O 3.24Å; D60-G567 WeakPolarHBondContact CB-O 3.24Å; D60-G567 WeakPolarHBondContact OD2-CA 3.34Å; S565-G567 PolarHBondContact O-N 3Å; S565-G567 PolarHBondContact OG-N 3.41Å; S565-G567 VanDerWaalsContact OG-N 3.12Å
568	Q	93.4	Very high	95.1	Very high	5 Å²	5	16.2 Å²	16.2	2%	0.023	9%	0.089	C	C	.	.	S	Bend	trans	-84.1	150.8	175.6	78.6	176.9	3.6	0	0	111.1	P562 S565 L572 N573	P562-Q568 PolarHBondContact O-NE2 3.33Å; S565-Q568 WeakPolarHBondContact O-CG 3.41Å; S565-Q568 PolarHBondContact O-N 3.15Å; Q568-L572 HydrophobicContact CB-CD1 4.33Å; Q568-L572 HydrophobicContact CG-CB 4.18Å; Q568-N573 VanDerWaalsContact CG-OD1 3.29Å; Q568-N573 WeakPolarHBondContact CG-OD1 3.45Å; Q568-N573 PolarHBondContact NE2-OD1 2.84Å; Q568-N573 PolarHBondContact O-ND2 2.9Å
569	P	95.6	Very high	95.3	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.039	9%	0.089	C	C	.	.			trans	-52.7	145.6	178.2	-27	33.6	0	0	0	112.9	S571 L572 N573 E671 L674	P569-S571 VanDerWaalsContact C-N 3.26Å; P569-S571 PolarHBondContact O-N 2.9Å; P569-L572 HydrophobicContact CB-CG 4.39Å; P569-L572 WeakPolarHBondContact O-CB 3.41Å; P569-L572 PolarHBondContact O-N 3.47Å; P569-N573 PolarHBondContact O-N 3.38Å; P569-E671 WeakPolarHBondContact CA-OE1 3.39Å; P569-L674 HydrophobicContact CG-CD2 3.66Å; P569-L674 HydrophobicContact CG-CG 4.14Å
570	K	96.6	Very high	95.5	Very high	35 Å²	35	16.1 Å²	16.1	15%	0.152	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-35.5	178	-63.9	-47.6	-172	-173.5	0	112.5	L572 N573 Y574 Y661 F664 E671	K570-L572 PolarHBondContact O-N 2.89Å; K570-N573 PolarHBondContact O-N 3.07Å; K570-Y574 HydrophobicContact CB-CD2 4.04Å; K570-Y574 HydrophobicContact CB-CE2 4.09Å; K570-Y574 VanDerWaalsContact O-CD2 3.3Å; K570-Y574 WeakPolarHBondContact O-CD2 3.16Å; K570-Y574 PolarHBondContact O-N 2.83Å; K570-Y661 HydrophobicContact CB-CD2 4.5Å; K570-Y661 HydrophobicContact CB-CE2 4.37Å; K570-F664 HydrophobicContact CB-CD1 4Å; K570-F664 HydrophobicContact CB-CE1 3.77Å; K570-F664 HydrophobicContact CB-CZ 4.2Å; K570-F664 HydrophobicContact CD-CZ 4.44Å; K570-F664 HydrophobicContact CG-CD1 4.11Å; K570-F664 HydrophobicContact CG-CD2 4.43Å; K570-F664 HydrophobicContact CG-CE1 3.51Å; K570-F664 HydrophobicContact CG-CE2 3.87Å; K570-F664 HydrophobicContact CG-CZ 3.41Å; K570-F664 VanDerWaalsContact CG-CZ 3.41Å; K570-E671 WeakPolarHBondContact CA-OE2 3.44Å; K570-E671 WeakPolarHBondContact CB-OE2 3.42Å; K570-E671 PolarHBondContact N-OE1 3.07Å; K570-E671 PolarHBondContact N-OE2 3.46Å
571	S	97.8	Very high	95.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-49.1	-41.9	170.1	47.5	0	0	0	0	113.2	P569 G575 E671 H681 F685	P569-S571 VanDerWaalsContact C-N 3.26Å; P569-S571 PolarHBondContact O-N 2.9Å; S571-G575 PolarHBondContact O-N 3.49Å; S571-E671 PolarHBondContact N-OE2 2.69Å; S571-H681 WeakPolarHBondContact CB-O 3.33Å; S571-H681 PolarHBondContact OG-ND1 3.5Å; S571-F685 WeakPolarHBondContact O-CA 3.35Å
572	L	98.3	Very high	96	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-73.8	-41.6	176.6	-51.5	-172.6	0	0	0	111.9	L68 Q568 P569 K570 G575 G576 L674 L684 N688	L68-L572 HydrophobicContact CD1-CD1 4.21Å; L68-L572 HydrophobicContact CD1-CD2 3.91Å; Q568-L572 HydrophobicContact CB-CD1 4.33Å; Q568-L572 HydrophobicContact CG-CB 4.18Å; P569-L572 HydrophobicContact CB-CG 4.39Å; P569-L572 WeakPolarHBondContact O-CB 3.41Å; P569-L572 PolarHBondContact O-N 3.47Å; K570-L572 PolarHBondContact O-N 2.89Å; L572-G575 PolarHBondContact O-N 3.4Å; L572-G576 PolarHBondContact O-N 3.07Å; L572-L674 HydrophobicContact CD1-CD1 4.24Å; L572-L684 HydrophobicContact CD2-CB 4.03Å; L572-N688 HydrophobicContact CB-CB 4.32Å; L572-N688 HydrophobicContact CD2-CB 3.77Å; L572-N688 PolarHBondContact O-ND2 3.44Å
573	N	97.8	Very high	96.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.6	-49.2	177.3	-75.6	-34.1	0	0	0	111.7	M443 F564 S565 Q568 P569 K570 G575 G576 I577 G578	M443-N573 HydrophobicContact CE-CB 4.01Å; M443-N573 HydrophobicContact SD-CB 4.11Å; F564-N573 WeakPolarHBondContact CA-OD1 3.27Å; S565-N573 PolarHBondContact N-OD1 3.47Å; S565-N573 PolarHBondContact O-ND2 2.93Å; S565-N573 PolarHBondContact O-OD1 2.87Å; Q568-N573 VanDerWaalsContact CG-OD1 3.29Å; Q568-N573 WeakPolarHBondContact CG-OD1 3.45Å; Q568-N573 PolarHBondContact NE2-OD1 2.84Å; Q568-N573 PolarHBondContact O-ND2 2.9Å; P569-N573 PolarHBondContact O-N 3.38Å; K570-N573 PolarHBondContact O-N 3.07Å; N573-G575 PolarHBondContact O-N 3.09Å; N573-G576 CarbonylContact O-C 3.51Å; N573-G576 PolarHBondContact O-N 2.66Å; N573-I577 WeakPolarHBondContact O-CG2 3.42Å; N573-I577 PolarHBondContact O-N 3.27Å; N573-G578 PolarHBondContact O-N 3.18Å
574	Y	98.6	Very high	96.4	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.008	7%	0.066	C	C	.	.	I	π-helix	trans	-66.6	-37.3	177.6	-75.5	-84.6	0	0	0	111.5	M443 D446 I447 K570 G576 G578 M579 A657 A660 Y661 F664	M443-Y574 HydrophobicContact CE-CD1 3.8Å; M443-Y574 HydrophobicContact CE-CD2 4.22Å; M443-Y574 HydrophobicContact CE-CE1 4.08Å; M443-Y574 HydrophobicContact CE-CE2 4.48Å; M443-Y574 HydrophobicContact CE-CG 3.87Å; M443-Y574 HydrophobicContact CG-CE1 4.32Å; D446-Y574 PolarHBondContact OD2-OH 3.33Å; I447-Y574 HydrophobicContact CD1-CD1 4.47Å; K570-Y574 HydrophobicContact CB-CD2 4.04Å; K570-Y574 HydrophobicContact CB-CE2 4.09Å; K570-Y574 VanDerWaalsContact O-CD2 3.3Å; K570-Y574 WeakPolarHBondContact O-CD2 3.16Å; K570-Y574 PolarHBondContact O-N 2.83Å; Y574-G576 VanDerWaalsContact C-N 3.3Å; Y574-G576 PolarHBondContact O-N 2.77Å; Y574-G578 CarbonylContact O-C 3.16Å; Y574-G578 WeakPolarHBondContact O-CA 3.26Å; Y574-G578 PolarHBondContact O-N 3.35Å; Y574-M579 PolarHBondContact O-N 3.32Å; Y574-A657 WeakPolarHBondContact O-CB 3.42Å; Y574-A660 HydrophobicContact CD1-CB 3.94Å; Y574-A660 HydrophobicContact CE1-CB 3.67Å; Y574-Y661 AromaticContact CD2-CD2 3.79Å; Y574-Y661 HydrophobicContact CD2-CD2 3.79Å; Y574-Y661 HydrophobicContact CD2-CG 4.38Å; Y574-Y661 HydrophobicContact CE2-CD2 4.42Å; Y574-Y661 HydrophobicContact CG-CD2 4.38Å; Y574-F664 HydrophobicContact CE2-CB 3.91Å; Y574-F664 HydrophobicContact CE2-CD2 4.34Å; Y574-F664 HydrophobicContact CE2-CG 4.01Å
575	G	98.2	Very high	96.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-71.3	-22.7	175	0	0	0	0	0	114.1	S571 L572 N573 F685 F689	S571-G575 PolarHBondContact O-N 3.49Å; L572-G575 PolarHBondContact O-N 3.4Å; N573-G575 PolarHBondContact O-N 3.09Å; G575-F685 VanDerWaalsContact CA-CE2 3.5Å; G575-F685 VanDerWaalsContact N-CD2 3.35Å; G575-F685 VanDerWaalsContact N-CE2 3.31Å; G575-F689 WeakPolarHBondContact O-CA 3.27Å; G575-F689 WeakPolarHBondContact O-CB 3.45Å; G575-F689 PolarHBondContact O-N 2.72Å
576	G	97.8	Very high	96.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-94.7	-97.5	175.8	0	0	0	0	0	111.1	L572 N573 Y574 G578 M579 V580	L572-G576 PolarHBondContact O-N 3.07Å; N573-G576 CarbonylContact O-C 3.51Å; N573-G576 PolarHBondContact O-N 2.66Å; Y574-G576 VanDerWaalsContact C-N 3.3Å; Y574-G576 PolarHBondContact O-N 2.77Å; G576-G578 VanDerWaalsContact C-N 3.26Å; G576-G578 PolarHBondContact O-N 3.06Å; G576-M579 PolarHBondContact O-N 3.19Å; G576-V580 PolarHBondContact O-N 3.45Å
577	I	98	Very high	97.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-63.4	-29.5	-177.5	-161.3	66.2	0	0	0	113	M440 M443 F554 I558 L559 F563 F564 N573 M579 V580 I581	M440-I577 HydrophobicContact CE-CD1 4.35Å; M440-I577 HydrophobicContact CE-CG1 3.77Å; M440-I577 HydrophobicContact SD-CG1 3.75Å; M440-I577 HydrophobicContact SD-CG2 4.43Å; M443-I577 HydrophobicContact CE-CG2 3.75Å; M443-I577 HydrophobicContact SD-CG2 4.07Å; F554-I577 HydrophobicContact CD1-CD1 4.33Å; I558-I577 HydrophobicContact CG1-CD1 4.44Å; I558-I577 HydrophobicContact CG2-CD1 4.14Å; L559-I577 HydrophobicContact CD2-CD1 4.02Å; L559-I577 HydrophobicContact CD2-CG1 4.15Å; F563-I577 HydrophobicContact CB-CB 4.35Å; F563-I577 HydrophobicContact CB-CD1 4.4Å; F563-I577 WeakPolarHBondContact O-CB 3.38Å; F563-I577 PolarHBondContact O-N 2.84Å; F564-I577 HydrophobicContact CB-CB 4.08Å; F564-I577 HydrophobicContact CB-CG2 3.99Å; F564-I577 HydrophobicContact CD2-CG2 3.77Å; F564-I577 HydrophobicContact CG-CG2 4.33Å; N573-I577 WeakPolarHBondContact O-CG2 3.42Å; N573-I577 PolarHBondContact O-N 3.27Å; I577-M579 PolarHBondContact O-N 3.38Å; I577-V580 HydrophobicContact CD1-CB 4.26Å; I577-V580 CarbonylContact O-C 3.55Å; I577-V580 WeakPolarHBondContact O-CB 3.31Å; I577-V580 PolarHBondContact O-N 2.92Å; I577-V580 VanDerWaalsContact O-N 3.16Å; I577-I581 VanDerWaalsContact O-CG1 3.3Å; I577-I581 WeakPolarHBondContact O-CG1 3.45Å; I577-I581 PolarHBondContact O-N 3.49Å
578	G	98.4	Very high	97.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-62.3	-42.5	176.8	0	0	0	0	0	112.7	I447 N573 Y574 G576 V580 I581 G582 A657	I447-G578 VanDerWaalsContact CD1-O 3.3Å; I447-G578 WeakPolarHBondContact CD1-O 3.28Å; N573-G578 PolarHBondContact O-N 3.18Å; Y574-G578 CarbonylContact O-C 3.16Å; Y574-G578 WeakPolarHBondContact O-CA 3.26Å; Y574-G578 PolarHBondContact O-N 3.35Å; G576-G578 VanDerWaalsContact C-N 3.26Å; G576-G578 PolarHBondContact O-N 3.06Å; G578-V580 VanDerWaalsContact C-N 3.3Å; G578-V580 PolarHBondContact O-N 3.07Å; G578-I581 PolarHBondContact O-N 2.77Å; G578-G582 PolarHBondContact O-N 3.38Å; G578-A657 VanDerWaalsContact C-CB 3.43Å
579	M	98.3	Very high	98	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.005	2%	0.021	C	C	.	.	H	α-helix	trans	-62.1	-40.7	173.6	174.4	-90.5	177.1	0	0	111.2	Y574 G576 I577 G582 H583 D650 I654 A657 F689 I692 W693	Y574-M579 PolarHBondContact O-N 3.32Å; G576-M579 PolarHBondContact O-N 3.19Å; I577-M579 PolarHBondContact O-N 3.38Å; M579-G582 PolarHBondContact O-N 2.88Å; M579-H583 VanDerWaalsContact O-CB 3.29Å; M579-H583 WeakPolarHBondContact O-CB 3.42Å; M579-H583 PolarHBondContact O-N 3.44Å; M579-D650 HydrophobicContact CE-CB 4.21Å; M579-D650 WeakPolarHBondContact CE-OD1 3.35Å; M579-I654 HydrophobicContact CG-CB 4Å; M579-I654 HydrophobicContact CG-CG1 4.48Å; M579-A657 HydrophobicContact CB-CB 4.31Å; M579-F689 HydrophobicContact CB-CD2 4.29Å; M579-F689 HydrophobicContact CE-CD2 4.44Å; M579-F689 HydrophobicContact CE-CE2 3.71Å; M579-F689 HydrophobicContact CG-CD2 3.73Å; M579-F689 HydrophobicContact CG-CE2 3.84Å; M579-F689 HydrophobicContact SD-CD2 4.15Å; M579-F689 HydrophobicContact SD-CE2 4Å; M579-I692 HydrophobicContact SD-CD1 4.33Å; M579-W693 HydrophobicContact CE-CZ2 3.79Å; M579-W693 HydrophobicContact SD-CZ2 4.16Å
580	V	98.4	Very high	97.9	Very high	8 Å²	8	4.3 Å²	4.3	5%	0.048	2%	0.02	C	C	.	.	H	α-helix	trans	-63.8	-40.5	175.7	-175.2	0	0	0	0	111.2	A543 F554 I558 F563 G576 I577 G578 H583 E584	A543-V580 HydrophobicContact CB-CG1 3.51Å; F554-V580 HydrophobicContact CD1-CG1 4.49Å; F554-V580 HydrophobicContact CE1-CG1 4.11Å; I558-V580 HydrophobicContact CD1-CG1 4.34Å; F563-V580 HydrophobicContact CD1-CG2 4.12Å; F563-V580 HydrophobicContact CE1-CG2 4.27Å; G576-V580 PolarHBondContact O-N 3.45Å; I577-V580 HydrophobicContact CD1-CB 4.26Å; I577-V580 CarbonylContact O-C 3.55Å; I577-V580 WeakPolarHBondContact O-CB 3.31Å; I577-V580 PolarHBondContact O-N 2.92Å; I577-V580 VanDerWaalsContact O-N 3.16Å; G578-V580 VanDerWaalsContact C-N 3.3Å; G578-V580 PolarHBondContact O-N 3.07Å; V580-H583 WeakPolarHBondContact O-CB 3.25Å; V580-H583 PolarHBondContact O-N 2.88Å; V580-E584 WeakPolarHBondContact O-CG 3.44Å; V580-E584 PolarHBondContact O-N 2.98Å
581	I	98.7	Very high	97.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-59.7	-50.1	174.8	-68.3	162.8	0	0	0	111.1	M440 M443 I444 I447 F554 I577 G578 H583 E584 I585	M440-I581 HydrophobicContact CE-CD1 3.39Å; M440-I581 HydrophobicContact CE-CG1 3.31Å; M440-I581 HydrophobicContact SD-CD1 3.77Å; M440-I581 HydrophobicContact SD-CG1 4.35Å; M443-I581 HydrophobicContact CB-CD1 3.84Å; I444-I581 HydrophobicContact CB-CG2 4.42Å; I444-I581 HydrophobicContact CG1-CD1 3.85Å; I444-I581 HydrophobicContact CG1-CG1 4.02Å; I444-I581 HydrophobicContact CG1-CG2 3.93Å; I447-I581 HydrophobicContact CB-CG2 3.98Å; I447-I581 HydrophobicContact CD1-CB 3.72Å; I447-I581 HydrophobicContact CD1-CD1 3.97Å; I447-I581 HydrophobicContact CD1-CG1 4.47Å; I447-I581 HydrophobicContact CD1-CG2 3.69Å; I447-I581 HydrophobicContact CG1-CG2 4.45Å; I447-I581 HydrophobicContact CG2-CG2 3.99Å; F554-I581 HydrophobicContact CE1-CG1 3.93Å; F554-I581 HydrophobicContact CE2-CG1 4.34Å; F554-I581 HydrophobicContact CZ-CB 4.17Å; F554-I581 HydrophobicContact CZ-CG1 3.77Å; I577-I581 VanDerWaalsContact O-CG1 3.3Å; I577-I581 WeakPolarHBondContact O-CG1 3.45Å; I577-I581 PolarHBondContact O-N 3.49Å; G578-I581 PolarHBondContact O-N 2.77Å; I581-H583 PolarHBondContact O-N 2.76Å; I581-E584 PolarHBondContact O-N 3.38Å; I581-I585 HydrophobicContact CG2-CD1 3.8Å; I581-I585 HydrophobicContact CG2-CG1 4.49Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.48Å
582	G	98.6	Very high	97	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.5	-33.5	178.6	0	0	0	0	0	112.4	G578 M579 T586 G653 Q656	G578-G582 PolarHBondContact O-N 3.38Å; M579-G582 PolarHBondContact O-N 2.88Å; G582-T586 VanDerWaalsContact O-CB 3.29Å; G582-T586 WeakPolarHBondContact O-CB 3.49Å; G582-T586 PolarHBondContact O-N 3.4Å; G582-T586 PolarHBondContact O-OG1 3.06Å; G582-G653 VanDerWaalsContact C-CA 3.4Å; G582-Q656 VanDerWaalsContact CA-OE1 3.31Å; G582-Q656 PolarHBondContact O-OE1 2.7Å
583	H	98.7	Very high	96.7	Very high	10 Å²	10	6.3 Å²	6.3	5%	0.046	3%	0.029	C	C	.	.	H	α-helix	trans	-61.6	-53.2	173.8	-177	93.7	0	0	0	111	M579 V580 I581 I585 T586 H587 E646 A649 D650 R717	M579-H583 VanDerWaalsContact O-CB 3.29Å; M579-H583 WeakPolarHBondContact O-CB 3.42Å; M579-H583 PolarHBondContact O-N 3.44Å; V580-H583 WeakPolarHBondContact O-CB 3.25Å; V580-H583 PolarHBondContact O-N 2.88Å; I581-H583 PolarHBondContact O-N 2.76Å; H583-I585 PolarHBondContact O-N 3.25Å; H583-T586 PolarHBondContact O-N 3.23Å; H583-T586 VanDerWaalsContact O-N 3.11Å; H583-H587 AromaticContact CD2-CD2 3.8Å; H583-H587 AromaticContact CD2-NE2 3.5Å; H583-H587 PolarHBondContact CD2-NE2 2.85Å; H583-H587 AromaticContact CE1-NE2 3.89Å; H583-H587 AromaticContact NE2-CD2 3.91Å; H583-H587 AromaticContact NE2-CE1 3.93Å; H583-H587 AromaticContact NE2-NE2 3.12Å; H583-H587 PolarHBondContact NE2-NE2 3.27Å; H583-H587 VanDerWaalsContact NE2-NE2 3.12Å; H583-H587 PolarHBondContact O-N 3.13Å; H583-E646 IonicContact CE1-OE2 2.76Å; H583-E646 PolarHBondContact CE1-OE2 3.48Å; H583-E646 VanDerWaalsContact CE1-OE2 3.25Å; H583-E646 IonicContact NE2-OE2 3.79Å; H583-E646 PolarHBondContact NE2-OE2 2.87Å; H583-E646 VanDerWaalsContact NE2-OE2 3.17Å; H583-A649 VanDerWaalsContact CE1-CB 3.42Å; H583-A649 WeakPolarHBondContact CE1-CB 3.41Å; H583-A649 VanDerWaalsContact ND1-C 3.29Å; H583-A649 VanDerWaalsContact ND1-CB 3.33Å; H583-A649 WeakPolarHBondContact ND1-CB 3.3Å; H583-D650 IonicContact CE1-OD1 2.9Å; H583-D650 PolarHBondContact CE1-OD1 2.9Å; H583-D650 VanDerWaalsContact CE1-OD1 3.23Å; H583-D650 PolarHBondContact ND1-N 3.09Å; H583-D650 IonicContact ND1-OD1 2.74Å; H583-D650 PolarHBondContact ND1-OD1 3.5Å; H583-R717 PolarHBondContact CE1-NH2 3.33Å
584	E	98.4	Very high	96.5	Very high	11 Å²	11	6.4 Å²	6.4	5%	0.051	3%	0.029	C	C	.	.	H	α-helix	trans	-65.8	-36.5	179.1	-57.7	-48.9	147.8	0	0	113.2	A543 F544 Y545 I552 F554 V580 I581 T586 H587	A543-E584 HydrophobicContact CB-CG 3.75Å; A543-E584 WeakPolarHBondContact CB-OE1 3.28Å; F544-E584 VanDerWaalsContact CA-OE2 3.22Å; F544-E584 WeakPolarHBondContact CA-OE2 3.03Å; F544-E584 PolarHBondContact N-OE2 3.31Å; Y545-E584 WeakPolarHBondContact CB-O 3.15Å; Y545-E584 PolarHBondContact N-OE2 2.93Å; I552-E584 HydrophobicContact CB-CB 4.13Å; I552-E584 HydrophobicContact CG2-CB 3.69Å; F554-E584 HydrophobicContact CE1-CB 4.44Å; F554-E584 HydrophobicContact CE1-CG 3.83Å; F554-E584 HydrophobicContact CZ-CB 4.09Å; F554-E584 HydrophobicContact CZ-CG 3.97Å; V580-E584 WeakPolarHBondContact O-CG 3.44Å; V580-E584 PolarHBondContact O-N 2.98Å; I581-E584 PolarHBondContact O-N 3.38Å; E584-T586 VanDerWaalsContact C-N 3.3Å; E584-T586 PolarHBondContact O-N 2.81Å; E584-H587 PolarHBondContact O-N 3.43Å; E584-H587 IonicContact OE2-CD2 3.38Å
585	I	98.6	Very high	96.1	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.1	-42.6	172.7	-71.4	170.6	0	0	0	110.1	I447 R448 F451 I476 I552 I581 H583 H587 G588 F589	I447-I585 HydrophobicContact CG2-CD1 4.01Å; R448-I585 HydrophobicContact CB-CD1 4.29Å; F451-I585 HydrophobicContact CB-CG2 4.4Å; F451-I585 HydrophobicContact CD2-CG2 4.21Å; F451-I585 HydrophobicContact CG-CG2 4.14Å; I476-I585 HydrophobicContact CD1-CG2 4.05Å; I552-I585 HydrophobicContact CD1-CG1 3.95Å; I581-I585 HydrophobicContact CG2-CD1 3.8Å; I581-I585 HydrophobicContact CG2-CG1 4.49Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.48Å; H583-I585 PolarHBondContact O-N 3.25Å; I585-H587 VanDerWaalsContact C-N 3.29Å; I585-H587 PolarHBondContact O-N 2.78Å; I585-G588 PolarHBondContact O-N 3.25Å; I585-G588 VanDerWaalsContact O-N 3.11Å; I585-F589 WeakPolarHBondContact O-CD2 3.22Å
586	T	98.5	Very high	95.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-68.4	-27.1	-178.6	-57.6	0	0	0	0	112.5	G582 H583 E584 G588 F589 D590 I648 A649 A652 Q656 W749	G582-T586 VanDerWaalsContact O-CB 3.29Å; G582-T586 WeakPolarHBondContact O-CB 3.49Å; G582-T586 PolarHBondContact O-N 3.4Å; G582-T586 PolarHBondContact O-OG1 3.06Å; H583-T586 PolarHBondContact O-N 3.23Å; H583-T586 VanDerWaalsContact O-N 3.11Å; E584-T586 VanDerWaalsContact C-N 3.3Å; E584-T586 PolarHBondContact O-N 2.81Å; T586-G588 PolarHBondContact O-N 2.81Å; T586-G588 VanDerWaalsContact O-N 3.15Å; T586-F589 CarbonylContact O-C 3.42Å; T586-F589 WeakPolarHBondContact O-CA 3.41Å; T586-F589 PolarHBondContact O-N 3.07Å; T586-D590 PolarHBondContact O-N 3.19Å; T586-I648 HydrophobicContact CG2-CG2 3.99Å; T586-A649 HydrophobicContact CG2-CB 4.37Å; T586-A652 HydrophobicContact CG2-CB 3.58Å; T586-A652 WeakPolarHBondContact OG1-CB 3.38Å; T586-Q656 PolarHBondContact OG1-NE2 2.96Å; T586-W749 HydrophobicContact CG2-CG 4.36Å
587	H	97.8	Very high	95.8	Very high	19 Å²	19	8.2 Å²	8.2	9%	0.088	4%	0.038	C	C	.	.	H	α-helix	trans	-58.5	-24.7	171.7	-82.1	-49.8	0	0	0	113.2	Y545 H583 E584 I585 F589 D590 G593 E646	Y545-H587 HydrophobicContact CD1-CB 3.58Å; Y545-H587 HydrophobicContact CE1-CB 4.47Å; Y545-H587 HydrophobicContact CG-CB 3.65Å; H583-H587 AromaticContact CD2-CD2 3.8Å; H583-H587 AromaticContact CD2-NE2 3.5Å; H583-H587 PolarHBondContact CD2-NE2 2.85Å; H583-H587 AromaticContact CE1-NE2 3.89Å; H583-H587 AromaticContact NE2-CD2 3.91Å; H583-H587 AromaticContact NE2-CE1 3.93Å; H583-H587 AromaticContact NE2-NE2 3.12Å; H583-H587 PolarHBondContact NE2-NE2 3.27Å; H583-H587 VanDerWaalsContact NE2-NE2 3.12Å; H583-H587 PolarHBondContact O-N 3.13Å; E584-H587 PolarHBondContact O-N 3.43Å; E584-H587 IonicContact OE2-CD2 3.38Å; I585-H587 VanDerWaalsContact C-N 3.29Å; I585-H587 PolarHBondContact O-N 2.78Å; H587-F589 PolarHBondContact O-N 3.14Å; H587-F589 VanDerWaalsContact O-N 3.14Å; H587-D590 IonicContact CE1-OD2 2.73Å; H587-D590 IonicContact CG-OD2 2.73Å; H587-D590 IonicContact ND1-OD2 2.66Å; H587-D590 PolarHBondContact ND1-OD2 2.83Å; H587-G593 VanDerWaalsContact O-CA 3.3Å; H587-G593 WeakPolarHBondContact O-CA 3.37Å; H587-E646 IonicContact CE1-OE1 2.71Å; H587-E646 PolarHBondContact CE1-OE1 3.32Å; H587-E646 VanDerWaalsContact CE1-OE1 3.22Å; H587-E646 IonicContact CE1-OE2 2.82Å; H587-E646 IonicContact NE2-OE1 2.82Å; H587-E646 IonicContact NE2-OE2 3.16Å
588	G	97.1	Very high	95.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12	168.6	0	0	0	0	0	114.6	K472 Y545 I585 T586 G593 S594	K472-G588 WeakPolarHBondContact CE-O 3.33Å; K472-G588 PolarHBondContact NZ-O 2.81Å; Y545-G588 WeakPolarHBondContact OH-CA 3.41Å; I585-G588 PolarHBondContact O-N 3.25Å; I585-G588 VanDerWaalsContact O-N 3.11Å; T586-G588 PolarHBondContact O-N 2.81Å; T586-G588 VanDerWaalsContact O-N 3.15Å; G588-G593 CarbonylContact O-C 3.19Å; G588-S594 PolarHBondContact O-N 2.85Å
589	F	97.3	Very high	95.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	8.3	-170.8	-55	-83.5	0	0	0	113.3	F451 A469 K472 A473 I476 I585 T586 H587 W605 F614 W749	F451-F589 HydrophobicContact CD1-CE2 4.35Å; F451-F589 HydrophobicContact CE1-CD1 4.5Å; F451-F589 AromaticContact CE1-CD2 3.9Å; F451-F589 HydrophobicContact CE1-CD2 3.9Å; F451-F589 HydrophobicContact CE1-CE1 4.15Å; F451-F589 AromaticContact CE1-CE2 3.5Å; F451-F589 HydrophobicContact CE1-CE2 3.5Å; F451-F589 VanDerWaalsContact CE1-CE2 3.5Å; F451-F589 HydrophobicContact CE1-CG 4.39Å; F451-F589 AromaticContact CE1-CZ 3.65Å; F451-F589 HydrophobicContact CE1-CZ 3.65Å; F451-F589 AromaticContact CE2-CD2 3.86Å; F451-F589 HydrophobicContact CE2-CD2 3.86Å; F451-F589 HydrophobicContact CE2-CE2 4.23Å; F451-F589 HydrophobicContact CE2-CG 4.32Å; F451-F589 HydrophobicContact CZ-CB 4.33Å; F451-F589 HydrophobicContact CZ-CD1 4.01Å; F451-F589 AromaticContact CZ-CD2 3.29Å; F451-F589 HydrophobicContact CZ-CD2 3.29Å; F451-F589 HydrophobicContact CZ-CE1 4.12Å; F451-F589 AromaticContact CZ-CE2 3.43Å; F451-F589 HydrophobicContact CZ-CE2 3.43Å; F451-F589 VanDerWaalsContact CZ-CE2 3.43Å; F451-F589 AromaticContact CZ-CG 3.61Å; F451-F589 HydrophobicContact CZ-CG 3.61Å; F451-F589 AromaticContact CZ-CZ 3.86Å; F451-F589 HydrophobicContact CZ-CZ 3.86Å; A469-F589 HydrophobicContact CB-CD1 4.48Å; A469-F589 HydrophobicContact CB-CE1 4.03Å; A469-F589 WeakPolarHBondContact O-CE1 3.4Å; A469-F589 WeakPolarHBondContact O-CZ 3.45Å; K472-F589 HydrophobicContact CB-CE1 4.01Å; K472-F589 HydrophobicContact CB-CZ 4.05Å; K472-F589 HydrophobicContact CD-CD1 4.48Å; K472-F589 HydrophobicContact CD-CE1 3.84Å; K472-F589 HydrophobicContact CD-CZ 4.12Å; K472-F589 HydrophobicContact CG-CE1 3.99Å; K472-F589 HydrophobicContact CG-CZ 3.87Å; A473-F589 HydrophobicContact CB-CE2 4.19Å; A473-F589 HydrophobicContact CB-CZ 3.78Å; I476-F589 HydrophobicContact CD1-CE2 4.16Å; I585-F589 WeakPolarHBondContact O-CD2 3.22Å; T586-F589 CarbonylContact O-C 3.42Å; T586-F589 WeakPolarHBondContact O-CA 3.41Å; T586-F589 PolarHBondContact O-N 3.07Å; H587-F589 PolarHBondContact O-N 3.14Å; H587-F589 VanDerWaalsContact O-N 3.14Å; F589-W605 HydrophobicContact CD1-CH2 4.08Å; F589-W605 HydrophobicContact CD1-CZ2 4.41Å; F589-W605 HydrophobicContact CE1-CH2 4.38Å; F589-F614 WeakPolarHBondContact O-CE2 3.45Å; F589-W749 HydrophobicContact CB-CD2 4.28Å; F589-W749 HydrophobicContact CB-CH2 4.05Å; F589-W749 HydrophobicContact CB-CZ2 3.47Å; F589-W749 VanDerWaalsContact CB-CZ2 3.47Å; F589-W749 HydrophobicContact CD1-CH2 4.33Å; F589-W749 HydrophobicContact CG-CZ2 4.39Å; F589-W749 WeakPolarHBondContact O-CZ2 3.41Å; F589-W749 PolarHBondContact O-NE1 3.02Å
590	D	94.2	Very high	95.5	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	7%	0.073	C	C	.	.	S	Bend	trans	-74.7	-173.9	172.6	71.8	16.5	0	0	0	111.6	T586 H587 K592 G593 S594 S645 I648	T586-D590 PolarHBondContact O-N 3.19Å; H587-D590 IonicContact CE1-OD2 2.73Å; H587-D590 IonicContact CG-OD2 2.73Å; H587-D590 IonicContact ND1-OD2 2.66Å; H587-D590 PolarHBondContact ND1-OD2 2.83Å; D590-K592 PolarHBondContact O-N 3.43Å; D590-K592 VanDerWaalsContact O-N 3.09Å; D590-K592 WeakPolarHBondContact OD1-CA 3.16Å; D590-K592 WeakPolarHBondContact OD1-CB 3.26Å; D590-K592 PolarHBondContact OD1-N 2.83Å; D590-G593 PolarHBondContact OD1-N 2.78Å; D590-S594 WeakPolarHBondContact O-CB 3.37Å; D590-S594 PolarHBondContact O-N 2.9Å; D590-S594 PolarHBondContact O-OG 3.21Å; D590-S645 WeakPolarHBondContact OD2-CB 3.45Å; D590-S645 PolarHBondContact OD2-OG 3.41Å; D590-I648 HydrophobicContact CB-CG2 4.44Å
591	D	87.4	Confident	95.4	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.027	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.3	-177.8	66.2	-67	0	0	0	114.6	P293 S294 K595 F614 S645	P293-D591 WeakPolarHBondContact CB-OD2 3.33Å; S294-D591 PolarHBondContact N-OD2 2.74Å; D591-K595 WeakPolarHBondContact O-CE 3.34Å; D591-F614 HydrophobicContact CB-CE1 4.4Å; D591-S645 WeakPolarHBondContact OD1-CA 3.41Å; D591-S645 WeakPolarHBondContact OD1-CB 3.33Å; D591-S645 PolarHBondContact OD1-N 2.95Å
592	K	87.6	Confident	95.1	Very high	73 Å²	73	17.9 Å²	17.9	32%	0.317	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-63.4	172.7	-167.2	-176.6	165.2	-177	0	111.4	P293 Q296 D590 S594 K595	P293-K592 HydrophobicContact CB-CB 3.57Å; P293-K592 HydrophobicContact CB-CD 4.27Å; P293-K592 HydrophobicContact CB-CG 3.89Å; Q296-K592 VanDerWaalsContact OE1-CE 3.23Å; Q296-K592 VanDerWaalsContact OE1-CG 3.23Å; D590-K592 PolarHBondContact O-N 3.43Å; D590-K592 VanDerWaalsContact O-N 3.09Å; D590-K592 WeakPolarHBondContact OD1-CA 3.16Å; D590-K592 WeakPolarHBondContact OD1-CB 3.26Å; D590-K592 PolarHBondContact OD1-N 2.83Å; K592-S594 PolarHBondContact O-N 2.98Å; K592-K595 WeakPolarHBondContact O-CB 3.44Å; K592-K595 PolarHBondContact O-N 3.06Å; K592-K595 VanDerWaalsContact O-N 3.15Å
593	G	92.3	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-65.2	-28.8	-172.2	0	0	0	0	0	112.6	K472 H587 G588 D590 K595 Y596	K472-G593 PolarHBondContact NZ-O 3.41Å; H587-G593 VanDerWaalsContact O-CA 3.3Å; H587-G593 WeakPolarHBondContact O-CA 3.37Å; G588-G593 CarbonylContact O-C 3.19Å; D590-G593 PolarHBondContact OD1-N 2.78Å; G593-K595 PolarHBondContact O-N 3.03Å; G593-Y596 PolarHBondContact O-N 3.06Å
594	S	92.9	Very high	94.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-55.2	-18.3	173.6	57	0	0	0	0	114.4	G588 D590 K592 W605 W606	G588-S594 PolarHBondContact O-N 2.85Å; D590-S594 WeakPolarHBondContact O-CB 3.37Å; D590-S594 PolarHBondContact O-N 2.9Å; D590-S594 PolarHBondContact O-OG 3.21Å; K592-S594 PolarHBondContact O-N 2.98Å; S594-W605 WeakPolarHBondContact O-CZ2 3.48Å; S594-W605 PolarHBondContact O-NE1 3.47Å; S594-W606 PolarHBondContact O-NE1 2.85Å
595	K	91.1	Very high	94.1	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-87.7	-12	-179.2	-59.7	165.3	161.7	-162.2	0	114.2	P293 S294 Q296 V297 D591 K592 G593 L602 K603	P293-K595 PolarHBondContact O-NZ 3.31Å; S294-K595 WeakPolarHBondContact O-CE 3.36Å; S294-K595 PolarHBondContact O-NZ 3.38Å; Q296-K595 VanDerWaalsContact N-NZ 3.12Å; V297-K595 HydrophobicContact CG2-CD 4.02Å; V297-K595 HydrophobicContact CG2-CG 4.43Å; D591-K595 WeakPolarHBondContact O-CE 3.34Å; K592-K595 WeakPolarHBondContact O-CB 3.44Å; K592-K595 PolarHBondContact O-N 3.06Å; K592-K595 VanDerWaalsContact O-N 3.15Å; G593-K595 PolarHBondContact O-N 3.03Å; K595-L602 HydrophobicContact CB-CD1 3.74Å; K595-K603 CarbonylContact O-C 2.91Å; K595-K603 PolarHBondContact O-N 2.92Å; K595-K603 VanDerWaalsContact O-O 3.11Å
596	Y	94.5	Very high	93.9	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.027	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-98.5	138.7	179.6	-68	-102.3	0	0	0	108.7	D208 K472 D548 G593 G600 N601 L602 W605	D208-Y596 HydrophobicContact CB-CE1 4.48Å; D208-Y596 PolarHBondContact OD1-OH 3.01Å; K472-Y596 WeakPolarHBondContact CE-O 3.31Å; K472-Y596 PolarHBondContact NZ-O 2.95Å; D548-Y596 VanDerWaalsContact OD1-CE1 3.27Å; D548-Y596 WeakPolarHBondContact OD1-CE1 3.47Å; G593-Y596 PolarHBondContact O-N 3.06Å; Y596-G600 WeakPolarHBondContact CD1-O 3.38Å; Y596-N601 CarbonylContact C-O 3.5Å; Y596-N601 VanDerWaalsContact CA-O 3.26Å; Y596-N601 WeakPolarHBondContact CA-O 3.3Å; Y596-L602 HydrophobicContact CD1-CB 4.46Å; Y596-L602 HydrophobicContact CD2-CD1 4.34Å; Y596-L602 HydrophobicContact CE1-CB 4.21Å; Y596-L602 HydrophobicContact CE2-CD1 3.98Å; Y596-W605 PolarHBondContact O-NE1 3.35Å
597	D	95.7	Very high	93.8	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.091	15%	0.154	C	C	.	.			trans	-76.5	-175.1	175.1	70	16.6	0	0	0	112	D599 G600 N601 K603	D597-D599 PolarHBondContact O-N 3.25Å; D597-D599 WeakPolarHBondContact OD1-CA 3.3Å; D597-D599 PolarHBondContact OD1-N 3.44Å; D597-G600 PolarHBondContact O-N 2.87Å; D597-G600 PolarHBondContact OD1-N 3.37Å; D597-N601 PolarHBondContact N-O 2.97Å; D597-N601 PolarHBondContact OD1-N 3.48Å; D597-N601 PolarHBondContact OD1-ND2 3.25Å; D597-N601 PolarHBondContact OD2-ND2 3.16Å; D597-K603 HydrophobicContact CB-CB 4.37Å
598	K	97.1	Very high	93.6	Very high	83 Å²	83	36.2 Å²	36.2	36%	0.361	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.3	179.9	68.6	172.8	-176.7	57.1	0	114.4	K472 A475 N550	K472-K598 HydrophobicContact CB-CB 4.19Å; K472-K598 HydrophobicContact CG-CB 4.48Å; A475-K598 HydrophobicContact CB-CB 3.86Å; N550-K598 PolarHBondContact ND2-O 2.96Å
599	D	96.3	Very high	93.6	Very high	69 Å²	69	42.2 Å²	42.2	37%	0.369	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.5	-177.3	-60.9	-50.2	0	0	0	111.4	S211 K531 D597	S211-D599 PolarHBondContact OG-O 3.33Å; K531-D599 PolarHBondContact NZ-O 3.38Å; D597-D599 PolarHBondContact O-N 3.25Å; D597-D599 WeakPolarHBondContact OD1-CA 3.3Å; D597-D599 PolarHBondContact OD1-N 3.44Å
600	G	95.3	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	96.6	20.3	180	0	0	0	0	0	113.7	S547 D548 Y596 D597	S547-G600 VanDerWaalsContact O-CA 3.25Å; S547-G600 WeakPolarHBondContact O-CA 3.01Å; D548-G600 WeakPolarHBondContact CA-O 3.31Å; Y596-G600 WeakPolarHBondContact CD1-O 3.38Å; D597-G600 PolarHBondContact O-N 2.87Å; D597-G600 PolarHBondContact OD1-N 3.37Å
601	N	95.5	Very high	93.5	Very high	29 Å²	29	45.3 Å²	45.3	16%	0.155	22%	0.223	C	C	.	.			trans	-95.4	137.5	175.6	-43.5	-62.9	0	0	0	110.5	D208 S211 Y596 D597 K603	D208-N601 CarbonylContact O-C 3.59Å; D208-N601 WeakPolarHBondContact O-CA 3.44Å; S211-N601 VanDerWaalsContact CB-OD1 3.32Å; S211-N601 WeakPolarHBondContact CB-OD1 3.3Å; S211-N601 PolarHBondContact N-OD1 3.15Å; S211-N601 PolarHBondContact OG-OD1 2.91Å; Y596-N601 CarbonylContact C-O 3.5Å; Y596-N601 VanDerWaalsContact CA-O 3.26Å; Y596-N601 WeakPolarHBondContact CA-O 3.3Å; D597-N601 PolarHBondContact N-O 2.97Å; D597-N601 PolarHBondContact OD1-N 3.48Å; D597-N601 PolarHBondContact OD1-ND2 3.25Å; D597-N601 PolarHBondContact OD2-ND2 3.16Å; N601-K603 PolarHBondContact O-N 3.14Å
602	L	91.9	Very high	93.8	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.168	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-63.2	93.5	170.3	-173.1	68.2	0	0	0	109.6	D208 V297 Y300 K595 Y596	D208-L602 HydrophobicContact CB-CB 4.08Å; D208-L602 HydrophobicContact CB-CD2 4.28Å; D208-L602 VanDerWaalsContact O-CB 3.27Å; D208-L602 WeakPolarHBondContact O-CB 3.37Å; D208-L602 PolarHBondContact O-N 3.32Å; V297-L602 HydrophobicContact CG2-CD1 3.94Å; V297-L602 HydrophobicContact CG2-CD2 4.5Å; V297-L602 HydrophobicContact CG2-CG 4.39Å; Y300-L602 HydrophobicContact CD2-CD2 4.38Å; Y300-L602 HydrophobicContact CG-CD2 4.24Å; K595-L602 HydrophobicContact CB-CD1 3.74Å; Y596-L602 HydrophobicContact CD1-CB 4.46Å; Y596-L602 HydrophobicContact CD2-CD1 4.34Å; Y596-L602 HydrophobicContact CE1-CB 4.21Å; Y596-L602 HydrophobicContact CE2-CD1 3.98Å
603	K	90.6	Very high	94.3	Very high	131 Å²	131	53.7 Å²	53.7	57%	0.57	25%	0.254	S	S	*	.			trans	-148	129.7	-172	-177.2	177.4	178.1	-177.1	0	109.7	K595 D597 N601 W605	K595-K603 CarbonylContact O-C 2.91Å; K595-K603 PolarHBondContact O-N 2.92Å; K595-K603 VanDerWaalsContact O-O 3.11Å; D597-K603 HydrophobicContact CB-CB 4.37Å; N601-K603 PolarHBondContact O-N 3.14Å; K603-W605 PolarHBondContact O-N 2.64Å
604	N	89.3	Confident	94.4	Very high	119 Å²	119	53.7 Å²	53.7	64%	0.636	25%	0.254	S	S	*	.			trans	-70.3	113.8	174.7	-175.3	23.3	0	0	0	110.7	W606	N604-W606 PolarHBondContact ND2-O 3.39Å; N604-W606 WeakPolarHBondContact OD1-CB 3.32Å; N604-W606 PolarHBondContact OD1-N 3.23Å; N604-W606 PolarHBondContact OD1-O 3.17Å
605	W	94.6	Very high	94.4	Very high	38 Å²	38	56.1 Å²	56.1	14%	0.144	27%	0.267	C	S	.	.			trans	-111.2	7.7	172.4	52.9	-96.1	0	0	0	112.8	T465 A468 A469 K472 F589 S594 Y596 K603	T465-W605 HydrophobicContact CG2-CE3 4.37Å; T465-W605 HydrophobicContact CG2-CZ3 4.01Å; A468-W605 HydrophobicContact CB-CB 4.46Å; A468-W605 HydrophobicContact CB-CD2 4.47Å; A468-W605 HydrophobicContact CB-CE3 3.76Å; A468-W605 HydrophobicContact CB-CZ3 4.43Å; A469-W605 HydrophobicContact CB-CH2 4.39Å; A469-W605 HydrophobicContact CB-CZ3 4.17Å; K472-W605 HydrophobicContact CD-CZ2 4.24Å; F589-W605 HydrophobicContact CD1-CH2 4.08Å; F589-W605 HydrophobicContact CD1-CZ2 4.41Å; F589-W605 HydrophobicContact CE1-CH2 4.38Å; S594-W605 WeakPolarHBondContact O-CZ2 3.48Å; S594-W605 PolarHBondContact O-NE1 3.47Å; Y596-W605 PolarHBondContact O-NE1 3.35Å; K603-W605 PolarHBondContact O-N 2.64Å
606	W	94.9	Very high	94.6	Very high	14 Å²	14	60.3 Å²	60.3	5%	0.053	29%	0.287	C	S	.	.	S	Bend	trans	-93.2	145.2	178	-61.6	77.7	0	0	0	111.8	W460 M461 T465 S594 N604 F611 F614 W749	W460-W606 HydrophobicContact CH2-CH2 4.24Å; W460-W606 HydrophobicContact CH2-CZ3 4.07Å; W460-W606 AromaticContact CZ3-CZ3 3.93Å; W460-W606 HydrophobicContact CZ3-CZ3 3.93Å; M461-W606 HydrophobicContact SD-CH2 4.33Å; M461-W606 HydrophobicContact SD-CZ3 3.88Å; T465-W606 HydrophobicContact CG2-CD2 4.06Å; T465-W606 HydrophobicContact CG2-CE3 3.47Å; T465-W606 VanDerWaalsContact CG2-CE3 3.47Å; T465-W606 HydrophobicContact CG2-CZ3 3.82Å; S594-W606 PolarHBondContact O-NE1 2.85Å; N604-W606 PolarHBondContact ND2-O 3.39Å; N604-W606 WeakPolarHBondContact OD1-CB 3.32Å; N604-W606 PolarHBondContact OD1-N 3.23Å; N604-W606 PolarHBondContact OD1-O 3.17Å; W606-F611 HydrophobicContact CB-CB 3.89Å; W606-F611 HydrophobicContact CB-CD2 4.45Å; W606-F611 HydrophobicContact CD2-CD2 4.18Å; W606-F611 HydrophobicContact CE3-CB 4.48Å; W606-F611 HydrophobicContact CG-CB 4.29Å; W606-F611 HydrophobicContact CG-CD2 4.07Å; W606-F614 HydrophobicContact CH2-CB 4.25Å; W606-F614 AromaticContact CH2-CD2 3.98Å; W606-F614 HydrophobicContact CH2-CD2 3.98Å; W606-F614 HydrophobicContact CH2-CG 4.11Å; W606-F614 HydrophobicContact CZ3-CB 4.03Å; W606-F614 HydrophobicContact CZ3-CG 4.39Å; W606-W749 AromaticContact CH2-CH2 3.7Å; W606-W749 HydrophobicContact CH2-CH2 3.7Å; W606-W749 AromaticContact CH2-CZ2 3.92Å; W606-W749 HydrophobicContact CH2-CZ2 3.92Å; W606-W749 HydrophobicContact CZ2-CH2 4.39Å; W606-W749 HydrophobicContact CZ2-CZ2 4.46Å
607	T	96.2	Very high	94.7	Very high	22 Å²	22	62.1 Å²	62.1	14%	0.135	30%	0.297	C	S	.	.			trans	-71.1	153.8	158.1	81.4	0	0	0	0	110.5	D462 E464 T465 Q609 S610 F611	D462-T607 WeakPolarHBondContact OD1-CG2 3.48Å; D462-T607 WeakPolarHBondContact OD2-CB 3.47Å; D462-T607 VanDerWaalsContact OD2-CG2 3.27Å; D462-T607 WeakPolarHBondContact OD2-CG2 3.3Å; D462-T607 PolarHBondContact OD2-OG1 3.44Å; E464-T607 HydrophobicContact CB-CG2 4.39Å; T465-T607 PolarHBondContact OG1-N 2.96Å; T607-Q609 PolarHBondContact O-N 3.09Å; T607-Q609 VanDerWaalsContact O-N 3.16Å; T607-Q609 PolarHBondContact OG1-N 2.82Å; T607-S610 PolarHBondContact O-N 3.48Å; T607-S610 PolarHBondContact OG1-N 3.11Å; T607-F611 WeakPolarHBondContact O-CB 3.47Å; T607-F611 PolarHBondContact O-N 3.31Å
608	P	94.2	Very high	94.6	Very high	101 Å²	101	61.5 Å²	61.5	66%	0.656	29%	0.293	S	S	*	.	H	α-helix	trans	-61.1	-23.2	176	-24.9	34.6	0	0	0	114.6	R612	P608-R612 VanDerWaalsContact O-CG 3.3Å; P608-R612 WeakPolarHBondContact O-CG 3.47Å; P608-R612 PolarHBondContact O-N 3.39Å; P608-R612 PolarHBondContact O-NE 2.98Å; P608-R612 VanDerWaalsContact O-NE 3.09Å
609	Q	96.1	Very high	94.5	Very high	126 Å²	126	65.1 Å²	65.1	59%	0.589	31%	0.305	S	S	*	.	H	α-helix	trans	-77.3	-51.9	178.3	-177.9	173.1	7.6	0	0	110.9	T607 F611 R612 K613	T607-Q609 PolarHBondContact O-N 3.09Å; T607-Q609 VanDerWaalsContact O-N 3.16Å; T607-Q609 PolarHBondContact OG1-N 2.82Å; Q609-F611 VanDerWaalsContact C-N 3.34Å; Q609-F611 PolarHBondContact O-N 3.15Å; Q609-R612 PolarHBondContact O-N 2.78Å; Q609-K613 PolarHBondContact O-N 2.69Å; Q609-K613 VanDerWaalsContact O-N 3.1Å
610	S	96.9	Very high	94.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-42.3	178.7	-73.6	0	0	0	0	111.7	M461 D462 T465 T607 R612 K613 F614	M461-S610 WeakPolarHBondContact CA-OG 3.44Å; D462-S610 VanDerWaalsContact CG-OG 3.29Å; D462-S610 PolarHBondContact N-OG 2.67Å; D462-S610 WeakPolarHBondContact OD2-CB 3.46Å; D462-S610 PolarHBondContact OD2-OG 2.7Å; T465-S610 WeakPolarHBondContact OG1-CB 3.48Å; T465-S610 PolarHBondContact OG1-OG 3.19Å; T607-S610 PolarHBondContact O-N 3.48Å; T607-S610 PolarHBondContact OG1-N 3.11Å; S610-R612 PolarHBondContact O-N 2.96Å; S610-K613 PolarHBondContact O-N 3.05Å; S610-F614 WeakPolarHBondContact O-CB 3.32Å; S610-F614 PolarHBondContact O-N 2.75Å
611	F	93.9	Very high	94.7	Very high	68 Å²	68	64 Å²	64	30%	0.298	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-42.5	177.8	-171.7	-115.8	0	0	0	112.8	W606 T607 Q609 K613 F614 L615	W606-F611 HydrophobicContact CB-CB 3.89Å; W606-F611 HydrophobicContact CB-CD2 4.45Å; W606-F611 HydrophobicContact CD2-CD2 4.18Å; W606-F611 HydrophobicContact CE3-CB 4.48Å; W606-F611 HydrophobicContact CG-CB 4.29Å; W606-F611 HydrophobicContact CG-CD2 4.07Å; T607-F611 WeakPolarHBondContact O-CB 3.47Å; T607-F611 PolarHBondContact O-N 3.31Å; Q609-F611 VanDerWaalsContact C-N 3.34Å; Q609-F611 PolarHBondContact O-N 3.15Å; F611-K613 VanDerWaalsContact C-N 3.31Å; F611-K613 PolarHBondContact O-N 3.11Å; F611-F614 HydrophobicContact CE2-CD1 4.49Å; F611-F614 WeakPolarHBondContact O-CB 3.44Å; F611-F614 PolarHBondContact O-N 2.96Å; F611-L615 HydrophobicContact CD1-CD1 4.09Å; F611-L615 HydrophobicContact CE1-CD1 3.68Å; F611-L615 HydrophobicContact CE1-CG 4.26Å; F611-L615 HydrophobicContact CZ-CD1 4.06Å; F611-L615 HydrophobicContact CZ-CD2 4.22Å; F611-L615 HydrophobicContact CZ-CG 4.24Å; F611-L615 WeakPolarHBondContact O-CG 3.48Å; F611-L615 PolarHBondContact O-N 3.14Å
612	R	93.9	Very high	94.7	Very high	173 Å²	173	62.7 Å²	62.7	65%	0.653	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-39.6	175.6	-78.5	-175	-64.3	164.8	1.1	112	P608 Q609 S610 L615 E616	P608-R612 VanDerWaalsContact O-CG 3.3Å; P608-R612 WeakPolarHBondContact O-CG 3.47Å; P608-R612 PolarHBondContact O-N 3.39Å; P608-R612 PolarHBondContact O-NE 2.98Å; P608-R612 VanDerWaalsContact O-NE 3.09Å; Q609-R612 PolarHBondContact O-N 2.78Å; S610-R612 PolarHBondContact O-N 2.96Å; R612-L615 PolarHBondContact O-N 3.04Å; R612-E616 PolarHBondContact O-N 3.26Å
613	K	96.7	Very high	94.9	Very high	80 Å²	80	66.1 Å²	66.1	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-68.4	-40.3	176.8	-77.3	-70.4	171.7	-162.5	0	112.4	W460 Q609 S610 F611 L615 E616 L617	W460-K613 HydrophobicContact CB-CB 4.35Å; W460-K613 HydrophobicContact CE3-CB 3.98Å; Q609-K613 PolarHBondContact O-N 2.69Å; Q609-K613 VanDerWaalsContact O-N 3.1Å; S610-K613 PolarHBondContact O-N 3.05Å; F611-K613 VanDerWaalsContact C-N 3.31Å; F611-K613 PolarHBondContact O-N 3.11Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 PolarHBondContact O-N 2.99Å; K613-E616 WeakPolarHBondContact CD-OE2 3.11Å; K613-E616 WeakPolarHBondContact CE-OE2 3.46Å; K613-E616 IonicContact NZ-OE1 3.44Å; K613-E616 PolarHBondContact NZ-OE1 2.85Å; K613-E616 IonicContact NZ-OE2 3.42Å; K613-E616 PolarHBondContact NZ-OE2 3.02Å; K613-E616 WeakPolarHBondContact O-CB 3.21Å; K613-E616 PolarHBondContact O-N 2.96Å; K613-L617 WeakPolarHBondContact O-CG 3.29Å; K613-L617 PolarHBondContact O-N 3.43Å
614	F	95.9	Very high	95.2	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-55.3	-47.9	171.6	173.1	-99	0	0	0	111.7	W460 F589 D591 W606 S610 F611 E616 L617 S618 V748 W749	W460-F614 HydrophobicContact CH2-CB 4.16Å; W460-F614 HydrophobicContact CH2-CD2 4.06Å; W460-F614 HydrophobicContact CZ3-CB 3.81Å; F589-F614 WeakPolarHBondContact O-CE2 3.45Å; D591-F614 HydrophobicContact CB-CE1 4.4Å; W606-F614 HydrophobicContact CH2-CB 4.25Å; W606-F614 AromaticContact CH2-CD2 3.98Å; W606-F614 HydrophobicContact CH2-CD2 3.98Å; W606-F614 HydrophobicContact CH2-CG 4.11Å; W606-F614 HydrophobicContact CZ3-CB 4.03Å; W606-F614 HydrophobicContact CZ3-CG 4.39Å; S610-F614 WeakPolarHBondContact O-CB 3.32Å; S610-F614 PolarHBondContact O-N 2.75Å; F611-F614 HydrophobicContact CE2-CD1 4.49Å; F611-F614 WeakPolarHBondContact O-CB 3.44Å; F611-F614 PolarHBondContact O-N 2.96Å; F614-E616 PolarHBondContact O-N 3.38Å; F614-L617 PolarHBondContact O-N 3.1Å; F614-S618 VanDerWaalsContact O-CB 3.27Å; F614-S618 WeakPolarHBondContact O-CB 3.3Å; F614-S618 PolarHBondContact O-N 3.04Å; F614-S618 PolarHBondContact O-OG 3.12Å; F614-V748 HydrophobicContact CD2-CG1 3.7Å; F614-V748 HydrophobicContact CE2-CG1 3.73Å; F614-W749 HydrophobicContact CD2-CZ2 4.07Å; F614-W749 AromaticContact CE2-CZ2 3.89Å; F614-W749 HydrophobicContact CE2-CZ2 3.89Å
615	L	92.7	Very high	95.6	Very high	52 Å²	52	55 Å²	55	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-40.1	177	-66.8	178	0	0	0	112.5	F611 R612 K613 R619	F611-L615 HydrophobicContact CD1-CD1 4.09Å; F611-L615 HydrophobicContact CE1-CD1 3.68Å; F611-L615 HydrophobicContact CE1-CG 4.26Å; F611-L615 HydrophobicContact CZ-CD1 4.06Å; F611-L615 HydrophobicContact CZ-CD2 4.22Å; F611-L615 HydrophobicContact CZ-CG 4.24Å; F611-L615 WeakPolarHBondContact O-CG 3.48Å; F611-L615 PolarHBondContact O-N 3.14Å; R612-L615 PolarHBondContact O-N 3.04Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 PolarHBondContact O-N 2.99Å; L615-R619 VanDerWaalsContact O-CG 3.27Å; L615-R619 WeakPolarHBondContact O-CG 3.5Å; L615-R619 PolarHBondContact O-N 3.36Å; L615-R619 VanDerWaalsContact O-N 3.1Å
616	E	94.2	Very high	95.8	Very high	104 Å²	104	55.2 Å²	55.2	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-47.7	176.8	-174.1	-174.7	154	0	0	111.8	R612 K613 F614 R619	R612-E616 PolarHBondContact O-N 3.26Å; K613-E616 WeakPolarHBondContact CD-OE2 3.11Å; K613-E616 WeakPolarHBondContact CE-OE2 3.46Å; K613-E616 IonicContact NZ-OE1 3.44Å; K613-E616 PolarHBondContact NZ-OE1 2.85Å; K613-E616 IonicContact NZ-OE2 3.42Å; K613-E616 PolarHBondContact NZ-OE2 3.02Å; K613-E616 WeakPolarHBondContact O-CB 3.21Å; K613-E616 PolarHBondContact O-N 2.96Å; F614-E616 PolarHBondContact O-N 3.38Å; E616-R619 WeakPolarHBondContact O-CB 3.22Å; E616-R619 PolarHBondContact O-N 3.49Å
617	L	96.3	Very high	95.8	Very high	45 Å²	45	61.9 Å²	61.9	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-39.9	179.4	-66.8	173.5	0	0	0	111.9	W460 K613 F614 R619 C620 V748	W460-L617 HydrophobicContact CB-CD1 3.97Å; W460-L617 VanDerWaalsContact CD1-CD1 3.48Å; W460-L617 HydrophobicContact CD2-CD1 3.58Å; W460-L617 HydrophobicContact CE3-CD1 4.25Å; W460-L617 HydrophobicContact CG-CD1 3.42Å; W460-L617 VanDerWaalsContact CG-CD1 3.42Å; K613-L617 WeakPolarHBondContact O-CG 3.29Å; K613-L617 PolarHBondContact O-N 3.43Å; F614-L617 PolarHBondContact O-N 3.1Å; L617-R619 VanDerWaalsContact C-N 3.28Å; L617-R619 PolarHBondContact O-N 2.82Å; L617-C620 WeakPolarHBondContact O-CB 3.35Å; L617-C620 PolarHBondContact O-N 3.24Å; L617-V748 HydrophobicContact CB-CG2 3.7Å
618	S	95.2	Very high	95.8	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-36.2	176.7	-61.3	0	0	0	0	112	F614 C620 F621 A622 L644	F614-S618 VanDerWaalsContact O-CB 3.27Å; F614-S618 WeakPolarHBondContact O-CB 3.3Å; F614-S618 PolarHBondContact O-N 3.04Å; F614-S618 PolarHBondContact O-OG 3.12Å; S618-C620 PolarHBondContact O-N 3.01Å; S618-C620 VanDerWaalsContact O-N 3.16Å; S618-F621 PolarHBondContact O-N 2.72Å; S618-A622 PolarHBondContact O-N 3.29Å; S618-L644 VanDerWaalsContact O-CD1 3.25Å; S618-L644 WeakPolarHBondContact O-CD1 3.33Å
619	R	94.8	Very high	96	Very high	160 Å²	160	59.5 Å²	59.5	60%	0.604	28%	0.279	S	S	*	.	H	α-helix	trans	-60	-25.1	173.6	-74.8	168.8	-173.4	171.8	3.1	113.3	L615 E616 L617 A622 N623	L615-R619 VanDerWaalsContact O-CG 3.27Å; L615-R619 WeakPolarHBondContact O-CG 3.5Å; L615-R619 PolarHBondContact O-N 3.36Å; L615-R619 VanDerWaalsContact O-N 3.1Å; E616-R619 WeakPolarHBondContact O-CB 3.22Å; E616-R619 PolarHBondContact O-N 3.49Å; L617-R619 VanDerWaalsContact C-N 3.28Å; L617-R619 PolarHBondContact O-N 2.82Å; R619-A622 PolarHBondContact O-N 3.09Å; R619-N623 WeakPolarHBondContact O-CB 3.39Å; R619-N623 PolarHBondContact O-N 3.28Å; R619-N623 PolarHBondContact O-ND2 2.96Å; R619-N623 VanDerWaalsContact O-ND2 3.16Å
620	C	97.1	Very high	95.9	Very high	40 Å²	40	53.9 Å²	53.9	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-49.1	172.9	-169.9	0	0	0	0	110.6	L617 S618 N623 Q624 C746	L617-C620 WeakPolarHBondContact O-CB 3.35Å; L617-C620 PolarHBondContact O-N 3.24Å; S618-C620 PolarHBondContact O-N 3.01Å; S618-C620 VanDerWaalsContact O-N 3.16Å; C620-N623 PolarHBondContact O-N 2.9Å; C620-Q624 WeakPolarHBondContact O-CB 3.18Å; C620-Q624 PolarHBondContact O-N 2.8Å; C620-C746 HydrophobicContact CB-CB 3.72Å; C620-C746 WeakPolarHBondContact CB-SG 3.48Å; C620-C746 PolarHBondContact O-SG 3.47Å; C620-C746 WeakPolarHBondContact SG-CA 3.21Å; C620-C746 WeakPolarHBondContact SG-CB 3.4Å; C620-C746 CovalentContact SG-SG 2.05Å; C620-C746 PolarHBondContact SG-SG 2.81Å
621	F	96.9	Very high	95.7	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-45.7	177.3	-67.1	-62.3	0	0	0	111.6	S618 N623 Q624 Y625 L644 I648 N651 C746 V748	S618-F621 PolarHBondContact O-N 2.72Å; F621-N623 VanDerWaalsContact C-N 3.25Å; F621-N623 PolarHBondContact O-N 2.81Å; F621-Q624 PolarHBondContact O-N 3.15Å; F621-Y625 HydrophobicContact CB-CD2 4.48Å; F621-Y625 HydrophobicContact CD1-CE2 4.2Å; F621-Y625 VanDerWaalsContact O-CD2 3.31Å; F621-Y625 WeakPolarHBondContact O-CD2 3.32Å; F621-Y625 PolarHBondContact O-N 2.99Å; F621-L644 HydrophobicContact CB-CD1 3.85Å; F621-I648 HydrophobicContact CD2-CG1 3.75Å; F621-I648 HydrophobicContact CE2-CG1 4.15Å; F621-N651 HydrophobicContact CE1-CB 3.74Å; F621-N651 VanDerWaalsContact CE1-CG 3.46Å; F621-N651 WeakPolarHBondContact CE1-OD1 3.33Å; F621-N651 HydrophobicContact CZ-CB 3.8Å; F621-C746 HydrophobicContact CD1-CB 3.45Å; F621-C746 VanDerWaalsContact CD1-CB 3.45Å; F621-C746 HydrophobicContact CD2-CB 4.46Å; F621-C746 HydrophobicContact CE1-CB 3.34Å; F621-C746 WeakPolarHBondContact CE1-O 3.37Å; F621-C746 HydrophobicContact CE2-CB 4.39Å; F621-C746 HydrophobicContact CG-CB 4.03Å; F621-C746 HydrophobicContact CZ-CB 3.85Å; F621-C746 WeakPolarHBondContact CZ-O 3.48Å; F621-V748 HydrophobicContact CD2-CG2 4.08Å; F621-V748 HydrophobicContact CE2-CB 4.18Å; F621-V748 HydrophobicContact CE2-CG2 3.63Å
622	A	95.6	Very high	95.6	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-55.5	-43.8	176.8	0	0	0	0	0	111.9	S618 R619 S626 N641 L644	S618-A622 PolarHBondContact O-N 3.29Å; R619-A622 PolarHBondContact O-N 3.09Å; A622-S626 VanDerWaalsContact O-CB 3.26Å; A622-S626 WeakPolarHBondContact O-CB 3.27Å; A622-S626 PolarHBondContact O-N 3.19Å; A622-S626 VanDerWaalsContact O-N 3.09Å; A622-S626 PolarHBondContact O-OG 3.1Å; A622-N641 VanDerWaalsContact CB-OD1 3.28Å; A622-N641 WeakPolarHBondContact CB-OD1 3.4Å; A622-L644 HydrophobicContact CB-CD1 4.33Å
623	N	97.1	Very high	95.5	Very high	104 Å²	104	52.2 Å²	52.2	56%	0.556	26%	0.259	S	S	*	.	H	α-helix	trans	-69.9	-41	177.9	-70.3	-26.9	0	0	0	112.8	R619 C620 F621 K627	R619-N623 WeakPolarHBondContact O-CB 3.39Å; R619-N623 PolarHBondContact O-N 3.28Å; R619-N623 PolarHBondContact O-ND2 2.96Å; R619-N623 VanDerWaalsContact O-ND2 3.16Å; C620-N623 PolarHBondContact O-N 2.9Å; F621-N623 VanDerWaalsContact C-N 3.25Å; F621-N623 PolarHBondContact O-N 2.81Å; N623-K627 WeakPolarHBondContact O-CG 3.41Å
624	Q	97.4	Very high	95.1	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-54.4	177.6	-178.6	-168.8	12.5	0	0	110.3	C620 F621 S626 K627 G720 N724	C620-Q624 WeakPolarHBondContact O-CB 3.18Å; C620-Q624 PolarHBondContact O-N 2.8Å; F621-Q624 PolarHBondContact O-N 3.15Å; Q624-S626 VanDerWaalsContact C-N 3.31Å; Q624-S626 PolarHBondContact O-N 3.39Å; Q624-K627 WeakPolarHBondContact O-CB 3.47Å; Q624-K627 PolarHBondContact O-N 2.85Å; Q624-G720 PolarHBondContact NE2-O 3.42Å; Q624-N724 PolarHBondContact NE2-ND2 3.18Å; Q624-N724 PolarHBondContact OE1-ND2 3.42Å
625	Y	97.6	Very high	95	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-30.8	-174.6	-78.7	-100.4	0	0	0	112.2	F621 K627 F628 L638 N647 N651 S712	F621-Y625 HydrophobicContact CB-CD2 4.48Å; F621-Y625 HydrophobicContact CD1-CE2 4.2Å; F621-Y625 VanDerWaalsContact O-CD2 3.31Å; F621-Y625 WeakPolarHBondContact O-CD2 3.32Å; F621-Y625 PolarHBondContact O-N 2.99Å; Y625-K627 PolarHBondContact O-N 3.24Å; Y625-F628 AromaticContact CD1-CD2 3.79Å; Y625-F628 HydrophobicContact CD1-CD2 3.79Å; Y625-F628 AromaticContact CD1-CE2 3.7Å; Y625-F628 HydrophobicContact CD1-CE2 3.7Å; Y625-F628 HydrophobicContact CE1-CD2 4.45Å; Y625-F628 HydrophobicContact CE1-CE2 4Å; Y625-F628 HydrophobicContact CG-CD2 4.13Å; Y625-F628 HydrophobicContact CG-CE2 4Å; Y625-F628 WeakPolarHBondContact O-CB 3.5Å; Y625-F628 PolarHBondContact O-N 3.4Å; Y625-F628 VanDerWaalsContact O-N 3.08Å; Y625-L638 HydrophobicContact CD1-CD2 4.4Å; Y625-L638 WeakPolarHBondContact O-CB 3.25Å; Y625-N647 WeakPolarHBondContact CB-ND2 3.39Å; Y625-N647 VanDerWaalsContact CD1-ND2 3.27Å; Y625-N647 WeakPolarHBondContact CD1-ND2 3.46Å; Y625-N647 HydrophobicContact CD2-CB 4.07Å; Y625-N647 WeakPolarHBondContact CD2-ND2 3.08Å; Y625-N647 HydrophobicContact CE1-CB 4.32Å; Y625-N647 VanDerWaalsContact CE1-OD1 3.26Å; Y625-N647 WeakPolarHBondContact CE1-OD1 3.43Å; Y625-N647 HydrophobicContact CE2-CB 3.73Å; Y625-N647 HydrophobicContact CG-CB 4.48Å; Y625-N651 PolarHBondContact OH-ND2 3.09Å; Y625-S712 VanDerWaalsContact CD1-OG 3.27Å; Y625-S712 WeakPolarHBondContact CD1-OG 3.49Å
626	S	97.2	Very high	95	Very high	42 Å²	42	55.2 Å²	55.2	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-16.1	173.7	-58.3	0	0	0	0	113.8	A622 Q624 H637 L638 G640	A622-S626 VanDerWaalsContact O-CB 3.26Å; A622-S626 WeakPolarHBondContact O-CB 3.27Å; A622-S626 PolarHBondContact O-N 3.19Å; A622-S626 VanDerWaalsContact O-N 3.09Å; A622-S626 PolarHBondContact O-OG 3.1Å; Q624-S626 VanDerWaalsContact C-N 3.31Å; Q624-S626 PolarHBondContact O-N 3.39Å; S626-H637 WeakPolarHBondContact O-CB 3.2Å; S626-H637 PolarHBondContact O-ND1 2.81Å; S626-L638 WeakPolarHBondContact CA-O 3.46Å; S626-G640 WeakPolarHBondContact OG-CA 3.35Å; S626-G640 PolarHBondContact OG-N 3.16Å
627	K	96.3	Very high	95	Very high	153 Å²	153	55.5 Å²	55.5	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.4	173.4	-68.2	170.8	-176	179.2	0	112.8	N623 Q624 Y625 S629 H637	N623-K627 WeakPolarHBondContact O-CG 3.41Å; Q624-K627 WeakPolarHBondContact O-CB 3.47Å; Q624-K627 PolarHBondContact O-N 2.85Å; Y625-K627 PolarHBondContact O-N 3.24Å; K627-S629 PolarHBondContact O-N 3.02Å; K627-H637 PolarHBondContact O-CE1 3.01Å; K627-H637 PolarHBondContact O-ND1 3.01Å
628	F	96.7	Very high	95	Very high	27 Å²	27	53.8 Å²	53.8	12%	0.118	28%	0.278	C	S	.	.			trans	-68.6	123.2	176.2	-65.6	-46.7	0	0	0	110.2	Y625 H637 L638 F716	Y625-F628 AromaticContact CD1-CD2 3.79Å; Y625-F628 HydrophobicContact CD1-CD2 3.79Å; Y625-F628 AromaticContact CD1-CE2 3.7Å; Y625-F628 HydrophobicContact CD1-CE2 3.7Å; Y625-F628 HydrophobicContact CE1-CD2 4.45Å; Y625-F628 HydrophobicContact CE1-CE2 4Å; Y625-F628 HydrophobicContact CG-CD2 4.13Å; Y625-F628 HydrophobicContact CG-CE2 4Å; Y625-F628 WeakPolarHBondContact O-CB 3.5Å; Y625-F628 PolarHBondContact O-N 3.4Å; Y625-F628 VanDerWaalsContact O-N 3.08Å; F628-H637 VanDerWaalsContact O-CA 3.27Å; F628-H637 WeakPolarHBondContact O-CA 3.41Å; F628-L638 HydrophobicContact CB-CD1 3.91Å; F628-L638 HydrophobicContact CB-CD2 4.08Å; F628-L638 HydrophobicContact CB-CG 4.48Å; F628-L638 HydrophobicContact CD2-CD2 4.26Å; F628-L638 WeakPolarHBondContact O-CD1 3.34Å; F628-L638 PolarHBondContact O-N 3.33Å; F628-F716 HydrophobicContact CB-CD1 3.65Å; F628-F716 HydrophobicContact CB-CE1 3.66Å; F628-F716 HydrophobicContact CB-CG 4.11Å; F628-F716 HydrophobicContact CB-CZ 4.12Å; F628-F716 AromaticContact CD1-CD1 3.72Å; F628-F716 HydrophobicContact CD1-CD1 3.72Å; F628-F716 AromaticContact CD1-CE1 3.92Å; F628-F716 HydrophobicContact CD1-CE1 3.92Å; F628-F716 HydrophobicContact CD2-CB 4.02Å; F628-F716 AromaticContact CD2-CD1 3.78Å; F628-F716 HydrophobicContact CD2-CD1 3.78Å; F628-F716 HydrophobicContact CD2-CG 4.07Å; F628-F716 HydrophobicContact CE1-CD1 4.31Å; F628-F716 HydrophobicContact CE2-CB 4.39Å; F628-F716 HydrophobicContact CE2-CD1 4.38Å; F628-F716 AromaticContact CG-CD1 3.44Å; F628-F716 HydrophobicContact CG-CD1 3.44Å; F628-F716 VanDerWaalsContact CG-CD1 3.44Å; F628-F716 AromaticContact CG-CE1 3.83Å; F628-F716 HydrophobicContact CG-CE1 3.83Å; F628-F716 HydrophobicContact CG-CG 4.08Å
629	S	96.6	Very high	94.9	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.4	170.8	-179.2	0	0	0	0	109.1	K627 G635 F716	K627-S629 PolarHBondContact O-N 3.02Å; S629-G635 VanDerWaalsContact OG-CA 3.28Å; S629-G635 WeakPolarHBondContact OG-CA 3.41Å; S629-G635 PolarHBondContact OG-O 3.2Å; S629-F716 WeakPolarHBondContact O-CZ 3.4Å
630	W	95.2	Very high	94.9	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.7	-177.9	-165.3	22	0	0	0	112.2	L632 A633 G635 L636 L638 Y697 A702 I706 P713 F716	W630-L632 VanDerWaalsContact C-N 3.29Å; W630-L632 HydrophobicContact CD2-CB 4.39Å; W630-L632 HydrophobicContact CZ2-CB 4.32Å; W630-L632 HydrophobicContact CZ2-CD1 4.05Å; W630-L632 PolarHBondContact O-N 3.34Å; W630-A633 HydrophobicContact CB-CB 4.23Å; W630-A633 HydrophobicContact CD2-CB 4.34Å; W630-A633 HydrophobicContact CE3-CB 3.98Å; W630-A633 HydrophobicContact CG-CB 4.46Å; W630-A633 CarbonylContact O-C 3.29Å; W630-A633 WeakPolarHBondContact O-CA 3.3Å; W630-A633 PolarHBondContact O-N 3.34Å; W630-G635 PolarHBondContact O-N 2.77Å; W630-L636 PolarHBondContact N-O 3.24Å; W630-L638 HydrophobicContact CB-CD1 4.31Å; W630-Y697 AromaticContact CH2-CD1 3.76Å; W630-Y697 HydrophobicContact CH2-CD1 3.76Å; W630-Y697 AromaticContact CH2-CD2 3.96Å; W630-Y697 HydrophobicContact CH2-CD2 3.96Å; W630-Y697 HydrophobicContact CH2-CE1 4.04Å; W630-Y697 HydrophobicContact CH2-CE2 4.27Å; W630-Y697 AromaticContact CH2-CG 3.71Å; W630-Y697 HydrophobicContact CH2-CG 3.71Å; W630-Y697 HydrophobicContact CZ2-CD1 4.3Å; W630-Y697 AromaticContact CZ2-CD2 3.69Å; W630-Y697 HydrophobicContact CZ2-CD2 3.69Å; W630-Y697 HydrophobicContact CZ2-CE2 4.19Å; W630-Y697 AromaticContact CZ2-CG 3.77Å; W630-Y697 HydrophobicContact CZ2-CG 3.77Å; W630-A702 HydrophobicContact CD2-CB 4.38Å; W630-A702 HydrophobicContact CE3-CB 4.03Å; W630-A702 HydrophobicContact CH2-CB 3.57Å; W630-A702 HydrophobicContact CZ2-CB 3.93Å; W630-A702 HydrophobicContact CZ3-CB 3.62Å; W630-A702 WeakPolarHBondContact CZ3-O 3.29Å; W630-I706 HydrophobicContact CB-CD1 4.47Å; W630-I706 HydrophobicContact CE3-CB 4.34Å; W630-I706 HydrophobicContact CE3-CD1 4.42Å; W630-P713 HydrophobicContact CD2-CB 4.32Å; W630-P713 HydrophobicContact CD2-CG 4.05Å; W630-P713 HydrophobicContact CE3-CB 4.2Å; W630-P713 HydrophobicContact CE3-CG 3.56Å; W630-P713 HydrophobicContact CH2-CB 3.73Å; W630-P713 HydrophobicContact CH2-CG 3.82Å; W630-P713 HydrophobicContact CZ2-CB 3.86Å; W630-P713 HydrophobicContact CZ2-CG 4.28Å; W630-P713 HydrophobicContact CZ3-CB 3.91Å; W630-P713 HydrophobicContact CZ3-CG 3.43Å; W630-P713 VanDerWaalsContact CZ3-CG 3.43Å; W630-F716 HydrophobicContact CB-CE2 3.87Å; W630-F716 HydrophobicContact CB-CZ 4.25Å; W630-F716 AromaticContact CD1-CE2 3.87Å; W630-F716 HydrophobicContact CD2-CE2 4.41Å; W630-F716 AromaticContact CG-CE2 3.82Å; W630-F716 HydrophobicContact CG-CE2 3.82Å; W630-F716 HydrophobicContact CG-CZ 4.4Å
631	D	93.1	Very high	94.6	Very high	138 Å²	138	51.6 Å²	51.6	74%	0.738	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.9	-39.2	-177.7	-63.8	-21.6	0	0	0	113	A633 N634	D631-A633 PolarHBondContact O-N 3.28Å; D631-A633 VanDerWaalsContact O-N 3.14Å; D631-N634 PolarHBondContact O-N 2.85Å
632	L	91.4	Very high	94.2	Very high	69 Å²	69	53.7 Å²	53.7	36%	0.361	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63	-20.8	176.6	-66.9	179.4	0	0	0	113.1	W630 P699 A702	W630-L632 VanDerWaalsContact C-N 3.29Å; W630-L632 HydrophobicContact CD2-CB 4.39Å; W630-L632 HydrophobicContact CZ2-CB 4.32Å; W630-L632 HydrophobicContact CZ2-CD1 4.05Å; W630-L632 PolarHBondContact O-N 3.34Å; L632-P699 WeakPolarHBondContact O-CA 3.49Å; L632-A702 HydrophobicContact CB-CB 3.72Å
633	A	91.2	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.3	24.3	174.9	0	0	0	0	0	112.2	W630 D631 L636 A702 L703 I706	W630-A633 HydrophobicContact CB-CB 4.23Å; W630-A633 HydrophobicContact CD2-CB 4.34Å; W630-A633 HydrophobicContact CE3-CB 3.98Å; W630-A633 HydrophobicContact CG-CB 4.46Å; W630-A633 CarbonylContact O-C 3.29Å; W630-A633 WeakPolarHBondContact O-CA 3.3Å; W630-A633 PolarHBondContact O-N 3.34Å; D631-A633 PolarHBondContact O-N 3.28Å; D631-A633 VanDerWaalsContact O-N 3.14Å; A633-L636 HydrophobicContact CB-CB 4.24Å; A633-L636 WeakPolarHBondContact O-CB 3.37Å; A633-L636 VanDerWaalsContact O-CG 3.25Å; A633-L636 WeakPolarHBondContact O-CG 3.46Å; A633-L636 PolarHBondContact O-N 2.69Å; A633-A702 HydrophobicContact CB-CB 4.32Å; A633-L703 HydrophobicContact CB-CD2 4.17Å; A633-I706 HydrophobicContact CB-CD1 3.96Å; A633-I706 HydrophobicContact CB-CG2 4.31Å
634	N	89.2	Confident	94	Very high	113 Å²	113	49.9 Å²	49.9	60%	0.604	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	41.9	-177.2	-56	-26.7	0	0	0	113.1	D631 L636	D631-N634 PolarHBondContact O-N 2.85Å; N634-L636 PolarHBondContact O-N 2.72Å
635	G	92.6	Very high	93.9	Very high	30 Å²	30	49.8 Å²	49.8	31%	0.309	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	15	178	0	0	0	0	0	114.2	S629 W630	S629-G635 VanDerWaalsContact OG-CA 3.28Å; S629-G635 WeakPolarHBondContact OG-CA 3.41Å; S629-G635 PolarHBondContact OG-O 3.2Å; W630-G635 PolarHBondContact O-N 2.77Å
636	L	92.7	Very high	93.8	Very high	54 Å²	54	50.4 Å²	50.4	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.8	173.4	-74.6	-179.5	0	0	0	110.8	R237 W630 A633 N634 L703 I706	R237-L636 VanDerWaalsContact NH1-CD1 3.33Å; W630-L636 PolarHBondContact N-O 3.24Å; A633-L636 HydrophobicContact CB-CB 4.24Å; A633-L636 WeakPolarHBondContact O-CB 3.37Å; A633-L636 VanDerWaalsContact O-CG 3.25Å; A633-L636 WeakPolarHBondContact O-CG 3.46Å; A633-L636 PolarHBondContact O-N 2.69Å; N634-L636 PolarHBondContact O-N 2.72Å; L636-L703 HydrophobicContact CD1-CD2 3.97Å; L636-I706 HydrophobicContact CB-CD1 3.7Å; L636-I706 HydrophobicContact CD1-CG2 4.35Å; L636-I706 WeakPolarHBondContact O-CD1 3.34Å
637	H	95.9	Very high	93.9	Very high	110 Å²	110	48.4 Å²	48.4	51%	0.509	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.2	173.6	-76.1	-102.3	0	0	0	111.5	S626 K627 F628 I706	S626-H637 WeakPolarHBondContact O-CB 3.2Å; S626-H637 PolarHBondContact O-ND1 2.81Å; K627-H637 PolarHBondContact O-CE1 3.01Å; K627-H637 PolarHBondContact O-ND1 3.01Å; F628-H637 VanDerWaalsContact O-CA 3.27Å; F628-H637 WeakPolarHBondContact O-CA 3.41Å; H637-I706 WeakPolarHBondContact O-CD1 3.48Å
638	L	95.4	Very high	93.9	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.1	151.4	172	-78.8	59.6	0	0	0	109.8	Y625 S626 F628 W630 G640 I706 F716	Y625-L638 HydrophobicContact CD1-CD2 4.4Å; Y625-L638 WeakPolarHBondContact O-CB 3.25Å; S626-L638 WeakPolarHBondContact CA-O 3.46Å; F628-L638 HydrophobicContact CB-CD1 3.91Å; F628-L638 HydrophobicContact CB-CD2 4.08Å; F628-L638 HydrophobicContact CB-CG 4.48Å; F628-L638 HydrophobicContact CD2-CD2 4.26Å; F628-L638 WeakPolarHBondContact O-CD1 3.34Å; F628-L638 PolarHBondContact O-N 3.33Å; W630-L638 HydrophobicContact CB-CD1 4.31Å; L638-G640 PolarHBondContact O-N 3.28Å; L638-I706 HydrophobicContact CD1-CD1 4.36Å; L638-F716 HydrophobicContact CD1-CD2 3.79Å; L638-F716 HydrophobicContact CD1-CE2 3.7Å; L638-F716 HydrophobicContact CD1-CZ 4.39Å; L638-F716 HydrophobicContact CD2-CB 3.97Å; L638-F716 HydrophobicContact CD2-CD2 3.75Å; L638-F716 HydrophobicContact CD2-CE2 4.5Å; L638-F716 HydrophobicContact CD2-CG 3.96Å; L638-F716 HydrophobicContact CG-CD2 4.35Å
639	N	93	Very high	94	Very high	82 Å²	82	39.9 Å²	39.9	44%	0.439	22%	0.22	S	C	.	.			trans	-91.6	91.1	169.1	-175.8	-13.4	0	0	0	109.3	N641 N642 T643	N639-N641 PolarHBondContact O-N 2.96Å; N639-N641 VanDerWaalsContact O-N 3.16Å; N639-N641 PolarHBondContact OD1-N 3.14Å; N639-N642 HydrophobicContact CB-CB 3.95Å; N639-N642 PolarHBondContact O-N 3Å; N639-N642 PolarHBondContact OD1-N 2.81Å; N639-T643 PolarHBondContact O-N 2.96Å; N639-T643 VanDerWaalsContact O-N 3.12Å; N639-T643 PolarHBondContact O-OG1 2.05Å
640	G	94.2	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.2	-176.3	0	0	0	0	0	114.7	S626 L638 L644	S626-G640 WeakPolarHBondContact OG-CA 3.35Å; S626-G640 PolarHBondContact OG-N 3.16Å; L638-G640 PolarHBondContact O-N 3.28Å; G640-L644 WeakPolarHBondContact O-CB 3.29Å; G640-L644 PolarHBondContact O-N 2.84Å
641	N	91.1	Very high	94.3	Very high	75 Å²	75	37.8 Å²	37.8	40%	0.401	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-44.1	171.2	-70.3	-22	0	0	0	111.1	L292 A622 N639 T643 L644	L292-N641 HydrophobicContact CD1-CB 3.92Å; L292-N641 HydrophobicContact CD2-CB 3.9Å; L292-N641 WeakPolarHBondContact CD2-O 3.48Å; A622-N641 VanDerWaalsContact CB-OD1 3.28Å; A622-N641 WeakPolarHBondContact CB-OD1 3.4Å; N639-N641 PolarHBondContact O-N 2.96Å; N639-N641 VanDerWaalsContact O-N 3.16Å; N639-N641 PolarHBondContact OD1-N 3.14Å; N641-T643 VanDerWaalsContact C-N 3.26Å; N641-T643 PolarHBondContact O-N 3.3Å; N641-L644 VanDerWaalsContact O-CB 3.27Å; N641-L644 WeakPolarHBondContact O-CB 3.34Å; N641-L644 PolarHBondContact O-N 3.29Å
642	N	88.6	Confident	94.5	Very high	48 Å²	48	31.4 Å²	31.4	26%	0.257	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.1	178.6	-171.7	57.9	0	0	0	112.1	N639 D709	N639-N642 HydrophobicContact CB-CB 3.95Å; N639-N642 PolarHBondContact O-N 3Å; N639-N642 PolarHBondContact OD1-N 2.81Å; N642-D709 PolarHBondContact ND2-O 2.92Å
643	T	94.7	Very high	94.9	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.049	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	9.6	-179.6	65.2	0	0	0	0	114.1	N639 N641 N647 I710	N639-T643 PolarHBondContact O-N 2.96Å; N639-T643 VanDerWaalsContact O-N 3.12Å; N639-T643 PolarHBondContact O-OG1 2.05Å; N641-T643 VanDerWaalsContact C-N 3.26Å; N641-T643 PolarHBondContact O-N 3.3Å; T643-N647 VanDerWaalsContact O-CB 3.3Å; T643-N647 WeakPolarHBondContact O-CB 3.47Å; T643-N647 PolarHBondContact O-N 3.16Å; T643-N647 PolarHBondContact O-ND2 2.97Å; T643-N647 VanDerWaalsContact O-ND2 3.08Å; T643-N647 PolarHBondContact O-OD1 2.71Å; T643-N647 PolarHBondContact OG1-ND2 3.42Å; T643-I710 WeakPolarHBondContact CA-O 3.39Å; T643-I710 WeakPolarHBondContact CB-O 3.27Å; T643-I710 WeakPolarHBondContact CG2-O 3.37Å
644	L	94.6	Very high	95.2	Very high	19 Å²	19	28.1 Å²	28.1	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-51.3	-166.9	-179.3	56.7	0	0	0	112.9	S618 F621 A622 G640 N641 E646 N647 I648	S618-L644 VanDerWaalsContact O-CD1 3.25Å; S618-L644 WeakPolarHBondContact O-CD1 3.33Å; F621-L644 HydrophobicContact CB-CD1 3.85Å; A622-L644 HydrophobicContact CB-CD1 4.33Å; G640-L644 WeakPolarHBondContact O-CB 3.29Å; G640-L644 PolarHBondContact O-N 2.84Å; N641-L644 VanDerWaalsContact O-CB 3.27Å; N641-L644 WeakPolarHBondContact O-CB 3.34Å; N641-L644 PolarHBondContact O-N 3.29Å; L644-E646 PolarHBondContact O-N 3.22Å; L644-N647 PolarHBondContact O-N 2.99Å; L644-I648 HydrophobicContact CD1-CD1 3.85Å; L644-I648 HydrophobicContact CD1-CG1 4.07Å; L644-I648 HydrophobicContact CG-CD1 3.86Å; L644-I648 HydrophobicContact CG-CG1 4.5Å; L644-I648 WeakPolarHBondContact O-CG1 3.34Å; L644-I648 PolarHBondContact O-N 3.4Å
645	S	93.8	Very high	95.7	Very high	16 Å²	16	23.5 Å²	23.5	11%	0.112	13%	0.129	C	C	.	.	H	α-helix	trans	-52.2	-53.8	178.1	152.6	0	0	0	0	111.3	D590 D591 N647 I648 A649	D590-S645 WeakPolarHBondContact OD2-CB 3.45Å; D590-S645 PolarHBondContact OD2-OG 3.41Å; D591-S645 WeakPolarHBondContact OD1-CA 3.41Å; D591-S645 WeakPolarHBondContact OD1-CB 3.33Å; D591-S645 PolarHBondContact OD1-N 2.95Å; S645-N647 VanDerWaalsContact C-N 3.35Å; S645-N647 PolarHBondContact O-N 2.92Å; S645-I648 PolarHBondContact O-N 3.49Å; S645-A649 WeakPolarHBondContact O-CB 3.36Å; S645-A649 PolarHBondContact O-N 2.91Å
646	E	96.8	Very high	95.9	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.056	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-39.6	179.6	-63.8	-58.2	147.4	0	0	112.9	H583 H587 L644 A649 D650 I710 H711 R717	H583-E646 IonicContact CE1-OE2 2.76Å; H583-E646 PolarHBondContact CE1-OE2 3.48Å; H583-E646 VanDerWaalsContact CE1-OE2 3.25Å; H583-E646 IonicContact NE2-OE2 3.79Å; H583-E646 PolarHBondContact NE2-OE2 2.87Å; H583-E646 VanDerWaalsContact NE2-OE2 3.17Å; H587-E646 IonicContact CE1-OE1 2.71Å; H587-E646 PolarHBondContact CE1-OE1 3.32Å; H587-E646 VanDerWaalsContact CE1-OE1 3.22Å; H587-E646 IonicContact CE1-OE2 2.82Å; H587-E646 IonicContact NE2-OE1 2.82Å; H587-E646 IonicContact NE2-OE2 3.16Å; L644-E646 PolarHBondContact O-N 3.22Å; E646-A649 PolarHBondContact O-N 3.06Å; E646-D650 WeakPolarHBondContact O-CB 3.46Å; E646-D650 PolarHBondContact O-N 3.16Å; E646-I710 HydrophobicContact CG-CB 4.43Å; E646-I710 HydrophobicContact CG-CD1 4.27Å; E646-I710 HydrophobicContact CG-CG1 4.09Å; E646-I710 VanDerWaalsContact CG-O 3.29Å; E646-I710 WeakPolarHBondContact CG-O 3.49Å; E646-H711 VanDerWaalsContact CG-CD2 3.48Å; E646-H711 WeakPolarHBondContact CG-CD2 3.38Å; E646-H711 IonicContact OE1-CD2 2.69Å; E646-H711 IonicContact OE1-NE2 3.49Å; E646-H711 IonicContact OE2-CD2 2.78Å; E646-H711 PolarHBondContact OE2-CD2 3Å; E646-H711 IonicContact OE2-NE2 3.77Å; E646-H711 PolarHBondContact OE2-NE2 2.93Å; E646-R717 IonicContact OE2-NH2 2.86Å
647	N	98.1	Very high	96.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-38.5	178.7	-67.6	-20.5	0	0	0	111.8	Y625 T643 L644 S645 N651 S712	Y625-N647 WeakPolarHBondContact CB-ND2 3.39Å; Y625-N647 VanDerWaalsContact CD1-ND2 3.27Å; Y625-N647 WeakPolarHBondContact CD1-ND2 3.46Å; Y625-N647 HydrophobicContact CD2-CB 4.07Å; Y625-N647 WeakPolarHBondContact CD2-ND2 3.08Å; Y625-N647 HydrophobicContact CE1-CB 4.32Å; Y625-N647 VanDerWaalsContact CE1-OD1 3.26Å; Y625-N647 WeakPolarHBondContact CE1-OD1 3.43Å; Y625-N647 HydrophobicContact CE2-CB 3.73Å; Y625-N647 HydrophobicContact CG-CB 4.48Å; T643-N647 VanDerWaalsContact O-CB 3.3Å; T643-N647 WeakPolarHBondContact O-CB 3.47Å; T643-N647 PolarHBondContact O-N 3.16Å; T643-N647 PolarHBondContact O-ND2 2.97Å; T643-N647 VanDerWaalsContact O-ND2 3.08Å; T643-N647 PolarHBondContact O-OD1 2.71Å; T643-N647 PolarHBondContact OG1-ND2 3.42Å; L644-N647 PolarHBondContact O-N 2.99Å; S645-N647 VanDerWaalsContact C-N 3.35Å; S645-N647 PolarHBondContact O-N 2.92Å; N647-N651 WeakPolarHBondContact O-CB 3.39Å; N647-N651 PolarHBondContact O-N 3.2Å; N647-N651 VanDerWaalsContact O-N 3.12Å; N647-N651 PolarHBondContact O-ND2 3.31Å; N647-S712 PolarHBondContact ND2-OG 3.29Å; N647-S712 WeakPolarHBondContact OD1-CB 3.46Å; N647-S712 PolarHBondContact OD1-OG 2.81Å
648	I	98.2	Very high	96.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-49.1	173	-70.4	167.2	0	0	0	109.1	T586 D590 F621 L644 S645 D650 N651 A652	T586-I648 HydrophobicContact CG2-CG2 3.99Å; D590-I648 HydrophobicContact CB-CG2 4.44Å; F621-I648 HydrophobicContact CD2-CG1 3.75Å; F621-I648 HydrophobicContact CE2-CG1 4.15Å; L644-I648 HydrophobicContact CD1-CD1 3.85Å; L644-I648 HydrophobicContact CD1-CG1 4.07Å; L644-I648 HydrophobicContact CG-CD1 3.86Å; L644-I648 HydrophobicContact CG-CG1 4.5Å; L644-I648 WeakPolarHBondContact O-CG1 3.34Å; L644-I648 PolarHBondContact O-N 3.4Å; S645-I648 PolarHBondContact O-N 3.49Å; I648-D650 PolarHBondContact O-N 2.85Å; I648-N651 PolarHBondContact O-N 3.47Å; I648-A652 VanDerWaalsContact O-CB 3.29Å; I648-A652 WeakPolarHBondContact O-CB 3.46Å; I648-A652 PolarHBondContact O-N 2.71Å
649	A	98.4	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-42.1	-179.6	0	0	0	0	0	112.5	H583 T586 S645 E646 G653	H583-A649 VanDerWaalsContact CE1-CB 3.42Å; H583-A649 WeakPolarHBondContact CE1-CB 3.41Å; H583-A649 VanDerWaalsContact ND1-C 3.29Å; H583-A649 VanDerWaalsContact ND1-CB 3.33Å; H583-A649 WeakPolarHBondContact ND1-CB 3.3Å; T586-A649 HydrophobicContact CG2-CB 4.37Å; S645-A649 WeakPolarHBondContact O-CB 3.36Å; S645-A649 PolarHBondContact O-N 2.91Å; E646-A649 PolarHBondContact O-N 3.06Å; A649-G653 WeakPolarHBondContact O-CA 3.18Å; A649-G653 PolarHBondContact O-N 2.76Å
650	D	98.6	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.3	-48.4	174.9	-80	-15.3	0	0	0	113.1	M579 H583 E646 I648 G653 I654 R717 S721	M579-D650 HydrophobicContact CE-CB 4.21Å; M579-D650 WeakPolarHBondContact CE-OD1 3.35Å; H583-D650 IonicContact CE1-OD1 2.9Å; H583-D650 PolarHBondContact CE1-OD1 2.9Å; H583-D650 VanDerWaalsContact CE1-OD1 3.23Å; H583-D650 PolarHBondContact ND1-N 3.09Å; H583-D650 IonicContact ND1-OD1 2.74Å; H583-D650 PolarHBondContact ND1-OD1 3.5Å; E646-D650 WeakPolarHBondContact O-CB 3.46Å; E646-D650 PolarHBondContact O-N 3.16Å; I648-D650 PolarHBondContact O-N 2.85Å; D650-G653 PolarHBondContact O-N 2.88Å; D650-I654 WeakPolarHBondContact O-CG2 3.46Å; D650-I654 PolarHBondContact O-N 3.33Å; D650-I654 VanDerWaalsContact O-N 3.09Å; D650-R717 IonicContact OD1-CZ 3.88Å; D650-R717 IonicContact OD1-NE 2.7Å; D650-R717 PolarHBondContact OD1-NE 2.98Å; D650-R717 IonicContact OD1-NH2 3.71Å; D650-R717 PolarHBondContact OD1-NH2 3.2Å; D650-R717 WeakPolarHBondContact OD2-CB 3.14Å; D650-R717 WeakPolarHBondContact OD2-CG 3.43Å; D650-R717 IonicContact OD2-CZ 3.61Å; D650-R717 IonicContact OD2-NE 2.73Å; D650-R717 PolarHBondContact OD2-NE 3.46Å; D650-R717 IonicContact OD2-NH2 3.4Å; D650-R717 PolarHBondContact OD2-NH2 3.44Å; D650-S721 WeakPolarHBondContact CB-OG 3.32Å
651	N	98.6	Very high	97	Very high	11 Å²	11	13 Å²	13	6%	0.059	7%	0.067	C	C	.	.	H	α-helix	trans	-69.3	-39.9	-173.9	-83.9	-103.6	0	0	0	111.5	F621 Y625 N647 I648 R655 S721 N724	F621-N651 HydrophobicContact CE1-CB 3.74Å; F621-N651 VanDerWaalsContact CE1-CG 3.46Å; F621-N651 WeakPolarHBondContact CE1-OD1 3.33Å; F621-N651 HydrophobicContact CZ-CB 3.8Å; Y625-N651 PolarHBondContact OH-ND2 3.09Å; N647-N651 WeakPolarHBondContact O-CB 3.39Å; N647-N651 PolarHBondContact O-N 3.2Å; N647-N651 VanDerWaalsContact O-N 3.12Å; N647-N651 PolarHBondContact O-ND2 3.31Å; I648-N651 PolarHBondContact O-N 3.47Å; N651-R655 WeakPolarHBondContact O-CB 3.49Å; N651-S721 PolarHBondContact ND2-OG 3.01Å; N651-S721 WeakPolarHBondContact OD1-CA 3.48Å; N651-N724 WeakPolarHBondContact OD1-CB 3.32Å; N651-N724 PolarHBondContact OD1-ND2 3.38Å
652	A	98.3	Very high	97.3	Very high	3 Å²	3	12.5 Å²	12.5	3%	0.025	6%	0.061	C	C	.	.	H	α-helix	trans	-72.3	-45.1	175.5	0	0	0	0	0	111.2	T586 I648 I654 R655 Q656 W749	T586-A652 HydrophobicContact CG2-CB 3.58Å; T586-A652 WeakPolarHBondContact OG1-CB 3.38Å; I648-A652 VanDerWaalsContact O-CB 3.29Å; I648-A652 WeakPolarHBondContact O-CB 3.46Å; I648-A652 PolarHBondContact O-N 2.71Å; A652-I654 PolarHBondContact O-N 3.37Å; A652-R655 WeakPolarHBondContact O-CB 3.25Å; A652-R655 PolarHBondContact O-N 3.36Å; A652-R655 VanDerWaalsContact O-N 3.17Å; A652-Q656 WeakPolarHBondContact O-CB 3.22Å; A652-Q656 VanDerWaalsContact O-CD 3.31Å; A652-Q656 WeakPolarHBondContact O-CG 3.11Å; A652-Q656 PolarHBondContact O-N 2.96Å; A652-Q656 PolarHBondContact O-NE2 2.71Å; A652-W749 HydrophobicContact CB-CB 3.81Å
653	G	98.4	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-46	-176.4	0	0	0	0	0	113	G582 A649 D650 R655 A657	G582-G653 VanDerWaalsContact C-CA 3.4Å; A649-G653 WeakPolarHBondContact O-CA 3.18Å; A649-G653 PolarHBondContact O-N 2.76Å; D650-G653 PolarHBondContact O-N 2.88Å; G653-R655 PolarHBondContact O-N 3.42Å; G653-A657 WeakPolarHBondContact O-CB 3.35Å; G653-A657 PolarHBondContact O-N 3Å
654	I	98.6	Very high	97.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-65.2	-38.7	176.1	-165	-177.2	0	0	0	112.3	M579 D650 A652 Y658 F685 F686 F689 L722 L725	M579-I654 HydrophobicContact CG-CB 4Å; M579-I654 HydrophobicContact CG-CG1 4.48Å; D650-I654 WeakPolarHBondContact O-CG2 3.46Å; D650-I654 PolarHBondContact O-N 3.33Å; D650-I654 VanDerWaalsContact O-N 3.09Å; A652-I654 PolarHBondContact O-N 3.37Å; I654-Y658 WeakPolarHBondContact O-CB 3.21Å; I654-Y658 PolarHBondContact O-N 3.03Å; I654-F685 HydrophobicContact CD1-CE1 4.45Å; I654-F685 HydrophobicContact CG1-CE1 3.94Å; I654-F685 HydrophobicContact CG1-CZ 4.24Å; I654-F686 HydrophobicContact CD1-CD1 4.16Å; I654-F686 HydrophobicContact CD1-CE1 4.28Å; I654-F689 HydrophobicContact CB-CD2 4.46Å; I654-F689 HydrophobicContact CB-CE2 4.27Å; I654-F689 HydrophobicContact CD1-CB 4.3Å; I654-F689 HydrophobicContact CD1-CD1 3.43Å; I654-F689 VanDerWaalsContact CD1-CD1 3.43Å; I654-F689 HydrophobicContact CD1-CD2 3.66Å; I654-F689 HydrophobicContact CD1-CE1 3.55Å; I654-F689 HydrophobicContact CD1-CE2 3.76Å; I654-F689 HydrophobicContact CD1-CG 3.49Å; I654-F689 VanDerWaalsContact CD1-CG 3.49Å; I654-F689 HydrophobicContact CD1-CZ 3.72Å; I654-F689 HydrophobicContact CG1-CD2 4Å; I654-F689 HydrophobicContact CG1-CE2 4.2Å; I654-F689 HydrophobicContact CG1-CG 4.17Å; I654-L722 HydrophobicContact CD1-CD2 3.48Å; I654-L722 VanDerWaalsContact CD1-CD2 3.48Å; I654-L725 HydrophobicContact CD1-CD2 4.24Å; I654-L725 HydrophobicContact CG1-CD2 4.39Å; I654-L725 HydrophobicContact CG2-CD2 4.31Å
655	R	98.3	Very high	98	Very high	16 Å²	16	14 Å²	14	6%	0.06	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-50	178.3	178.1	-178.6	-63.3	-75.5	-3.4	110.8	N651 A652 G653 A657 Y658 Q659 N724 L725 E727	N651-R655 WeakPolarHBondContact O-CB 3.49Å; A652-R655 WeakPolarHBondContact O-CB 3.25Å; A652-R655 PolarHBondContact O-N 3.36Å; A652-R655 VanDerWaalsContact O-N 3.17Å; G653-R655 PolarHBondContact O-N 3.42Å; R655-A657 VanDerWaalsContact C-N 3.34Å; R655-A657 PolarHBondContact O-N 3.09Å; R655-Y658 PolarHBondContact O-N 2.84Å; R655-Q659 WeakPolarHBondContact O-CG 3.37Å; R655-Q659 PolarHBondContact O-N 2.79Å; R655-N724 PolarHBondContact NH2-O 3.1Å; R655-L725 HydrophobicContact CB-CD1 3.94Å; R655-L725 HydrophobicContact CG-CD1 4.1Å; R655-E727 IonicContact NH1-OE1 2.68Å; R655-E727 IonicContact NH1-OE2 2.81Å
656	Q	98.5	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-43.4	179.9	-65.8	156.7	20	0	0	110.8	I447 V450 G582 T586 A652 Y658 Q659 A660	I447-Q656 HydrophobicContact CG2-CB 4.09Å; V450-Q656 HydrophobicContact CG1-CB 4.05Å; V450-Q656 HydrophobicContact CG1-CG 4.32Å; G582-Q656 VanDerWaalsContact CA-OE1 3.31Å; G582-Q656 PolarHBondContact O-OE1 2.7Å; T586-Q656 PolarHBondContact OG1-NE2 2.96Å; A652-Q656 WeakPolarHBondContact O-CB 3.22Å; A652-Q656 VanDerWaalsContact O-CD 3.31Å; A652-Q656 WeakPolarHBondContact O-CG 3.11Å; A652-Q656 PolarHBondContact O-N 2.96Å; A652-Q656 PolarHBondContact O-NE2 2.71Å; Q656-Y658 PolarHBondContact O-N 3.21Å; Q656-Q659 PolarHBondContact O-N 3.25Å; Q656-A660 WeakPolarHBondContact O-CB 3.49Å; Q656-A660 PolarHBondContact O-N 2.9Å
657	A	98.8	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-40.4	177.1	0	0	0	0	0	112.7	Y574 G578 M579 G653 R655 A660 Y661 F685	Y574-A657 WeakPolarHBondContact O-CB 3.42Å; G578-A657 VanDerWaalsContact C-CB 3.43Å; M579-A657 HydrophobicContact CB-CB 4.31Å; G653-A657 WeakPolarHBondContact O-CB 3.35Å; G653-A657 PolarHBondContact O-N 3Å; R655-A657 VanDerWaalsContact C-N 3.34Å; R655-A657 PolarHBondContact O-N 3.09Å; A657-A660 PolarHBondContact O-N 2.91Å; A657-Y661 WeakPolarHBondContact O-CB 3.2Å; A657-Y661 PolarHBondContact O-N 2.9Å; A657-F685 HydrophobicContact CB-CE2 4.2Å; A657-F685 HydrophobicContact CB-CZ 4.02Å
658	Y	98.8	Very high	98	Very high	19 Å²	19	32.3 Å²	32.3	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-67.2	-43.7	176.8	-174	-107.6	0	0	0	111.8	I654 R655 Q656 A660 Y661 K662 D682 F685 F686 E727	I654-Y658 WeakPolarHBondContact O-CB 3.21Å; I654-Y658 PolarHBondContact O-N 3.03Å; R655-Y658 PolarHBondContact O-N 2.84Å; Q656-Y658 PolarHBondContact O-N 3.21Å; Y658-A660 VanDerWaalsContact C-N 3.33Å; Y658-A660 PolarHBondContact O-N 3.12Å; Y658-Y661 HydrophobicContact CE2-CD1 4.49Å; Y658-Y661 WeakPolarHBondContact O-CB 3.49Å; Y658-Y661 PolarHBondContact O-N 3.47Å; Y658-K662 HydrophobicContact CD1-CG 4.29Å; Y658-K662 HydrophobicContact CE1-CD 4.2Å; Y658-K662 HydrophobicContact CE1-CG 3.92Å; Y658-K662 HydrophobicContact CE2-CD 4.21Å; Y658-K662 WeakPolarHBondContact O-CG 3.4Å; Y658-K662 PolarHBondContact O-N 2.87Å; Y658-D682 HydrophobicContact CE2-CB 4.39Å; Y658-D682 VanDerWaalsContact OH-CG 3.3Å; Y658-D682 PolarHBondContact OH-OD2 3.39Å; Y658-F685 AromaticContact CD2-CD1 3.59Å; Y658-F685 HydrophobicContact CD2-CD1 3.59Å; Y658-F685 HydrophobicContact CD2-CD2 4.25Å; Y658-F685 AromaticContact CD2-CE1 3.73Å; Y658-F685 HydrophobicContact CD2-CE1 3.73Å; Y658-F685 HydrophobicContact CD2-CE2 4.32Å; Y658-F685 AromaticContact CD2-CG 3.91Å; Y658-F685 HydrophobicContact CD2-CG 3.91Å; Y658-F685 HydrophobicContact CD2-CZ 4.11Å; Y658-F685 HydrophobicContact CE2-CD1 4.32Å; Y658-F685 HydrophobicContact CG-CD1 4.49Å; Y658-F685 HydrophobicContact CG-CE1 4.2Å; Y658-F685 HydrophobicContact CG-CZ 4.39Å; Y658-F686 HydrophobicContact CD1-CZ 4.47Å; Y658-F686 HydrophobicContact CD2-CE1 4.26Å; Y658-F686 HydrophobicContact CD2-CE2 4.19Å; Y658-F686 AromaticContact CD2-CZ 3.68Å; Y658-F686 HydrophobicContact CD2-CZ 3.68Å; Y658-F686 HydrophobicContact CE1-CZ 4.5Å; Y658-F686 AromaticContact CE2-CE2 3.77Å; Y658-F686 HydrophobicContact CE2-CE2 3.77Å; Y658-F686 AromaticContact CE2-CZ 3.69Å; Y658-F686 HydrophobicContact CE2-CZ 3.69Å; Y658-F686 HydrophobicContact CG-CZ 4.07Å; Y658-E727 HydrophobicContact CD1-CB 3.83Å; Y658-E727 HydrophobicContact CD1-CG 4Å; Y658-E727 HydrophobicContact CE1-CB 3.47Å; Y658-E727 VanDerWaalsContact CE1-CB 3.47Å; Y658-E727 HydrophobicContact CE1-CG 3.75Å
659	Q	98.6	Very high	97.8	Very high	44 Å²	44	34 Å²	34	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-41	175.3	-72.5	170.9	-29.8	0	0	111.8	V450 N454 R655 Q656 K662 K663	V450-Q659 HydrophobicContact CG1-CB 3.73Å; V450-Q659 HydrophobicContact CG2-CB 4.27Å; N454-Q659 PolarHBondContact ND2-OE1 2.64Å; N454-Q659 PolarHBondContact OD1-NE2 3.41Å; N454-Q659 PolarHBondContact OD1-OE1 2.73Å; R655-Q659 WeakPolarHBondContact O-CG 3.37Å; R655-Q659 PolarHBondContact O-N 2.79Å; Q656-Q659 PolarHBondContact O-N 3.25Å; Q659-K662 PolarHBondContact O-N 3.49Å; Q659-K663 PolarHBondContact O-N 3.35Å
660	A	98.6	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-42.8	174.6	0	0	0	0	0	111.2	D446 I447 V450 Y574 Q656 A657 Y658 K662 K663 F664	D446-A660 HydrophobicContact CB-CB 4.31Å; I447-A660 HydrophobicContact CG1-CB 3.68Å; V450-A660 HydrophobicContact CG2-CB 3.96Å; Y574-A660 HydrophobicContact CD1-CB 3.94Å; Y574-A660 HydrophobicContact CE1-CB 3.67Å; Q656-A660 WeakPolarHBondContact O-CB 3.49Å; Q656-A660 PolarHBondContact O-N 2.9Å; A657-A660 PolarHBondContact O-N 2.91Å; Y658-A660 VanDerWaalsContact C-N 3.33Å; Y658-A660 PolarHBondContact O-N 3.12Å; A660-K662 PolarHBondContact O-N 3.3Å; A660-K663 WeakPolarHBondContact O-CB 3.13Å; A660-K663 PolarHBondContact O-N 3.4Å; A660-F664 PolarHBondContact O-N 3.24Å
661	Y	98.6	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-45.7	172.8	174.7	-115.4	0	0	0	112.3	K570 Y574 A657 Y658 K663 F664 V665 H681 D682 F685	K570-Y661 HydrophobicContact CB-CD2 4.5Å; K570-Y661 HydrophobicContact CB-CE2 4.37Å; Y574-Y661 AromaticContact CD2-CD2 3.79Å; Y574-Y661 HydrophobicContact CD2-CD2 3.79Å; Y574-Y661 HydrophobicContact CD2-CG 4.38Å; Y574-Y661 HydrophobicContact CE2-CD2 4.42Å; Y574-Y661 HydrophobicContact CG-CD2 4.38Å; A657-Y661 WeakPolarHBondContact O-CB 3.2Å; A657-Y661 PolarHBondContact O-N 2.9Å; Y658-Y661 HydrophobicContact CE2-CD1 4.49Å; Y658-Y661 WeakPolarHBondContact O-CB 3.49Å; Y658-Y661 PolarHBondContact O-N 3.47Å; Y661-K663 VanDerWaalsContact C-N 3.32Å; Y661-K663 PolarHBondContact O-N 3.44Å; Y661-F664 HydrophobicContact CE2-CD1 4.47Å; Y661-F664 WeakPolarHBondContact O-CB 3.44Å; Y661-F664 PolarHBondContact O-N 2.87Å; Y661-F664 VanDerWaalsContact O-N 3.13Å; Y661-V665 HydrophobicContact CD2-CG2 4.2Å; Y661-V665 HydrophobicContact CE1-CG2 3.99Å; Y661-V665 HydrophobicContact CE2-CG2 3.57Å; Y661-V665 VanDerWaalsContact CZ-CG2 3.41Å; Y661-V665 WeakPolarHBondContact O-CG2 3.35Å; Y661-V665 PolarHBondContact O-N 3.21Å; Y661-V665 WeakPolarHBondContact OH-CG2 3.46Å; Y661-H681 WeakPolarHBondContact OH-CB 3.44Å; Y661-D682 WeakPolarHBondContact CE1-OD1 3.4Å; Y661-F685 HydrophobicContact CD1-CD2 4.33Å; Y661-F685 HydrophobicContact CG-CD2 4.33Å
662	K	98.3	Very high	97.1	Very high	64 Å²	64	44.3 Å²	44.3	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-65	-34.7	176.4	-61.4	-47.9	-62.7	-172.2	0	112.4	Y658 Q659 A660 V665 K666 D682	Y658-K662 HydrophobicContact CD1-CG 4.29Å; Y658-K662 HydrophobicContact CE1-CD 4.2Å; Y658-K662 HydrophobicContact CE1-CG 3.92Å; Y658-K662 HydrophobicContact CE2-CD 4.21Å; Y658-K662 WeakPolarHBondContact O-CG 3.4Å; Y658-K662 PolarHBondContact O-N 2.87Å; Q659-K662 PolarHBondContact O-N 3.49Å; A660-K662 PolarHBondContact O-N 3.3Å; K662-V665 PolarHBondContact O-N 3.25Å; K662-K666 WeakPolarHBondContact O-CB 3.28Å; K662-K666 PolarHBondContact O-N 3.22Å; K662-D682 IonicContact NZ-OD1 2.73Å; K662-D682 PolarHBondContact NZ-OD1 2.9Å; K662-D682 IonicContact NZ-OD2 3.91Å; K662-D682 PolarHBondContact NZ-OD2 2.94Å
663	K	97.4	Very high	96.9	Very high	74 Å²	74	49.3 Å²	49.3	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-43.1	170.8	-75.2	-176.3	-177.9	177.4	0	111.1	V450 S453 Q659 A660 Y661 K666 R667	V450-K663 HydrophobicContact CG2-CD 3.78Å; S453-K663 PolarHBondContact OG-NZ 3.45Å; Q659-K663 PolarHBondContact O-N 3.35Å; A660-K663 WeakPolarHBondContact O-CB 3.13Å; A660-K663 PolarHBondContact O-N 3.4Å; Y661-K663 VanDerWaalsContact C-N 3.32Å; Y661-K663 PolarHBondContact O-N 3.44Å; K663-K666 PolarHBondContact O-N 3.33Å; K663-R667 WeakPolarHBondContact O-CG 3.26Å; K663-R667 PolarHBondContact O-N 3.03Å; K663-R667 VanDerWaalsContact O-N 3.08Å
664	F	96.8	Very high	96.8	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-50.4	174.3	170.9	-87.5	0	0	0	111.5	K570 Y574 A660 Y661 K666 R667 N668 E671	K570-F664 HydrophobicContact CB-CD1 4Å; K570-F664 HydrophobicContact CB-CE1 3.77Å; K570-F664 HydrophobicContact CB-CZ 4.2Å; K570-F664 HydrophobicContact CD-CZ 4.44Å; K570-F664 HydrophobicContact CG-CD1 4.11Å; K570-F664 HydrophobicContact CG-CD2 4.43Å; K570-F664 HydrophobicContact CG-CE1 3.51Å; K570-F664 HydrophobicContact CG-CE2 3.87Å; K570-F664 HydrophobicContact CG-CZ 3.41Å; K570-F664 VanDerWaalsContact CG-CZ 3.41Å; Y574-F664 HydrophobicContact CE2-CB 3.91Å; Y574-F664 HydrophobicContact CE2-CD2 4.34Å; Y574-F664 HydrophobicContact CE2-CG 4.01Å; A660-F664 PolarHBondContact O-N 3.24Å; Y661-F664 HydrophobicContact CE2-CD1 4.47Å; Y661-F664 WeakPolarHBondContact O-CB 3.44Å; Y661-F664 PolarHBondContact O-N 2.87Å; Y661-F664 VanDerWaalsContact O-N 3.13Å; F664-K666 VanDerWaalsContact C-N 3.32Å; F664-K666 PolarHBondContact O-N 2.93Å; F664-R667 PolarHBondContact O-N 2.82Å; F664-R667 VanDerWaalsContact O-N 3.1Å; F664-N668 WeakPolarHBondContact CD2-ND2 3.43Å; F664-N668 HydrophobicContact CE1-CB 4.17Å; F664-N668 HydrophobicContact CE2-CB 4.18Å; F664-N668 WeakPolarHBondContact CE2-ND2 3.46Å; F664-N668 HydrophobicContact CZ-CB 3.84Å; F664-N668 WeakPolarHBondContact O-CB 3.46Å; F664-N668 PolarHBondContact O-N 2.99Å; F664-N668 PolarHBondContact O-ND2 2.88Å; F664-E671 HydrophobicContact CE1-CG 4.48Å
665	V	97.2	Very high	96.6	Very high	15 Å²	15	51 Å²	51	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-41.2	178	172.3	0	0	0	0	111.3	Y661 K662 R667 N668 G669 E670	Y661-V665 HydrophobicContact CD2-CG2 4.2Å; Y661-V665 HydrophobicContact CE1-CG2 3.99Å; Y661-V665 HydrophobicContact CE2-CG2 3.57Å; Y661-V665 VanDerWaalsContact CZ-CG2 3.41Å; Y661-V665 WeakPolarHBondContact O-CG2 3.35Å; Y661-V665 PolarHBondContact O-N 3.21Å; Y661-V665 WeakPolarHBondContact OH-CG2 3.46Å; K662-V665 PolarHBondContact O-N 3.25Å; V665-R667 PolarHBondContact O-N 3.21Å; V665-N668 PolarHBondContact O-N 3.3Å; V665-G669 CarbonylContact O-C 3.54Å; V665-G669 VanDerWaalsContact O-CA 3.3Å; V665-G669 WeakPolarHBondContact O-CA 3.48Å; V665-G669 PolarHBondContact O-N 3.49Å; V665-E670 HydrophobicContact CG1-CG 4.01Å; V665-E670 WeakPolarHBondContact CG1-OE1 3.38Å
666	K	97	Very high	96.3	Very high	191 Å²	191	53.9 Å²	53.9	83%	0.83	28%	0.279	S	S	*	.	H	α-helix	trans	-61.7	-32.7	176.7	-174.3	178.3	178.1	-177.1	0	112.6	K662 K663 F664	K662-K666 WeakPolarHBondContact O-CB 3.28Å; K662-K666 PolarHBondContact O-N 3.22Å; K663-K666 PolarHBondContact O-N 3.33Å; F664-K666 VanDerWaalsContact C-N 3.32Å; F664-K666 PolarHBondContact O-N 2.93Å
667	R	96.1	Very high	96	Very high	120 Å²	120	54.7 Å²	54.7	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-82.1	-37.7	178.8	-68.6	-179.2	-57.9	-158.6	5.1	112.8	D446 K663 F664 V665	D446-R667 IonicContact OD1-CZ 3.27Å; D446-R667 VanDerWaalsContact OD1-CZ 3.29Å; D446-R667 IonicContact OD1-NH1 3.95Å; D446-R667 PolarHBondContact OD1-NH1 3.31Å; D446-R667 IonicContact OD1-NH2 3.65Å; D446-R667 PolarHBondContact OD1-NH2 3.37Å; D446-R667 IonicContact OD2-CZ 3.36Å; D446-R667 IonicContact OD2-NH2 2.79Å; D446-R667 PolarHBondContact OD2-NH2 3.49Å; K663-R667 WeakPolarHBondContact O-CG 3.26Å; K663-R667 PolarHBondContact O-N 3.03Å; K663-R667 VanDerWaalsContact O-N 3.08Å; F664-R667 PolarHBondContact O-N 2.82Å; F664-R667 VanDerWaalsContact O-N 3.1Å; V665-R667 PolarHBondContact O-N 3.21Å
668	N	95.7	Very high	95.7	Very high	101 Å²	101	61.4 Å²	61.4	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-113.4	-11.1	-166.7	-61.8	-74	0	0	0	114.9	F664 V665	F664-N668 WeakPolarHBondContact CD2-ND2 3.43Å; F664-N668 HydrophobicContact CE1-CB 4.17Å; F664-N668 HydrophobicContact CE2-CB 4.18Å; F664-N668 WeakPolarHBondContact CE2-ND2 3.46Å; F664-N668 HydrophobicContact CZ-CB 3.84Å; F664-N668 WeakPolarHBondContact O-CB 3.46Å; F664-N668 PolarHBondContact O-N 2.99Å; F664-N668 PolarHBondContact O-ND2 2.88Å; V665-N668 PolarHBondContact O-N 3.3Å
669	G	94.6	Very high	95.5	Very high	37 Å²	37	61.3 Å²	61.3	38%	0.381	32%	0.32	S	S	.	.			trans	87.6	173.5	-169.7	0	0	0	0	0	113	V665	V665-G669 CarbonylContact O-C 3.54Å; V665-G669 VanDerWaalsContact O-CA 3.3Å; V665-G669 WeakPolarHBondContact O-CA 3.48Å; V665-G669 PolarHBondContact O-N 3.49Å
670	E	93.2	Very high	95.5	Very high	119 Å²	119	61.6 Å²	61.6	56%	0.556	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-74.3	141.8	174.5	-71.1	-72.9	175.4	0	0	110.7	V665	V665-E670 HydrophobicContact CG1-CG 4.01Å; V665-E670 WeakPolarHBondContact CG1-OE1 3.38Å
671	E	93.8	Very high	95.4	Very high	45 Å²	45	62 Å²	62	21%	0.21	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-78	158.1	175.8	-63.9	179.9	105.9	0	0	111.3	P569 K570 S571 F664 H681	P569-E671 WeakPolarHBondContact CA-OE1 3.39Å; K570-E671 WeakPolarHBondContact CA-OE2 3.44Å; K570-E671 WeakPolarHBondContact CB-OE2 3.42Å; K570-E671 PolarHBondContact N-OE1 3.07Å; K570-E671 PolarHBondContact N-OE2 3.46Å; S571-E671 PolarHBondContact N-OE2 2.69Å; F664-E671 HydrophobicContact CE1-CG 4.48Å; E671-H681 PolarHBondContact O-CD2 3.34Å; E671-H681 VanDerWaalsContact O-CD2 3.32Å; E671-H681 PolarHBondContact O-NE2 3.06Å; E671-H681 VanDerWaalsContact O-NE2 3.14Å
672	P	94.3	Very high	95.4	Very high	64 Å²	64	63.7 Å²	63.7	42%	0.416	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-65.7	139.1	171.5	-17.8	30.7	0	0	0	111.6	C56 H681	C56-P672 HydrophobicContact CB-CB 4.14Å; P672-H681 PolarHBondContact O-CE1 2.72Å; P672-H681 PolarHBondContact O-NE2 2.83Å
673	R	94.5	Very high	95.4	Very high	108 Å²	108	62.3 Å²	62.3	41%	0.408	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-60.5	155.1	-178.1	-59.3	-174.1	-177.5	-167.8	4.4	112.1	E54 I55 C56 D678	E54-R673 WeakPolarHBondContact O-CA 3.43Å; E54-R673 VanDerWaalsContact O-CB 3.28Å; E54-R673 WeakPolarHBondContact O-CB 3.34Å; E54-R673 PolarHBondContact O-N 2.69Å; I55-R673 CarbonylContact C-O 3.57Å; I55-R673 WeakPolarHBondContact CA-O 3.43Å; C56-R673 PolarHBondContact N-O 3.08Å; R673-D678 IonicContact NH1-OD1 3Å
674	L	95.4	Very high	95.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-76.1	144.1	173.8	-75.7	-177.9	0	0	0	111.9	C61 A65 L68 P569 L572 I677 L684	C61-L674 HydrophobicContact CB-CD2 3.73Å; A65-L674 HydrophobicContact CB-CB 4.19Å; A65-L674 HydrophobicContact CB-CD1 4.5Å; L68-L674 HydrophobicContact CD1-CD1 3.65Å; P569-L674 HydrophobicContact CG-CD2 3.66Å; P569-L674 HydrophobicContact CG-CG 4.14Å; L572-L674 HydrophobicContact CD1-CD1 4.24Å; L674-I677 HydrophobicContact CB-CG2 3.54Å; L674-L684 HydrophobicContact CB-CD1 4.3Å; L674-L684 HydrophobicContact CD1-CD1 3.82Å; L674-L684 HydrophobicContact CD1-CD2 4.16Å; L674-L684 HydrophobicContact CG-CD1 4.01Å
675	P	94	Very high	95.6	Very high	31 Å²	31	57.9 Å²	57.9	20%	0.201	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	139	-179.4	29	-32.7	0	0	0	111	I55 C56 A65 I677	I55-P675 HydrophobicContact CG2-CB 3.75Å; C56-P675 VanDerWaalsContact O-CD 3.28Å; C56-P675 WeakPolarHBondContact O-CD 3.45Å; A65-P675 HydrophobicContact CB-CG 4.14Å; A65-P675 VanDerWaalsContact CB-O 3.22Å; A65-P675 WeakPolarHBondContact CB-O 3.45Å; P675-I677 VanDerWaalsContact C-N 3.27Å; P675-I677 PolarHBondContact O-N 2.96Å
676	G	92	Very high	95.6	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	7.3	172	0	0	0	0	0	115.9	I69	I69-G676 VanDerWaalsContact CD1-O 3.27Å; I69-G676 WeakPolarHBondContact CD1-O 3.26Å
677	I	92.3	Very high	95.7	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.092	27%	0.269	C	S	.	.			trans	-131.7	120.6	175	-168.9	165.2	0	0	0	109.9	L68 I69 M72 L674 P675 L679 L684 L687	L68-I677 HydrophobicContact CB-CD1 4.33Å; I69-I677 HydrophobicContact CD1-CB 4.2Å; I69-I677 HydrophobicContact CG1-CB 4.15Å; I69-I677 HydrophobicContact CG1-CD1 4.16Å; I69-I677 HydrophobicContact CG1-CG1 4.44Å; M72-I677 HydrophobicContact SD-CD1 4.13Å; L674-I677 HydrophobicContact CB-CG2 3.54Å; P675-I677 VanDerWaalsContact C-N 3.27Å; P675-I677 PolarHBondContact O-N 2.96Å; I677-L679 VanDerWaalsContact C-N 3.27Å; I677-L679 HydrophobicContact CD1-CD1 3.67Å; I677-L679 HydrophobicContact CD1-CG 4.22Å; I677-L679 HydrophobicContact CG1-CB 4.2Å; I677-L679 HydrophobicContact CG1-CD1 3.91Å; I677-L679 HydrophobicContact CG1-CG 3.86Å; I677-L679 PolarHBondContact O-N 3.01Å; I677-L679 VanDerWaalsContact O-N 3.13Å; I677-L684 HydrophobicContact CD1-CD2 4.02Å; I677-L684 HydrophobicContact CG2-CD2 4.28Å; I677-L687 HydrophobicContact CD1-CD2 3.96Å
678	D	92.3	Very high	95.8	Very high	141 Å²	141	42.4 Å²	42.4	75%	0.754	25%	0.248	S	C	*	.			trans	-89.8	65.1	179.5	-167.7	25	0	0	0	110.5	R673	R673-D678 IonicContact NH1-OD1 3Å
679	L	95.9	Very high	96	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.084	22%	0.222	C	C	.	.			trans	-129	142.3	175.9	-67.5	-179.1	0	0	0	110.1	I677 Q683 L684 L687	I677-L679 VanDerWaalsContact C-N 3.27Å; I677-L679 HydrophobicContact CD1-CD1 3.67Å; I677-L679 HydrophobicContact CD1-CG 4.22Å; I677-L679 HydrophobicContact CG1-CB 4.2Å; I677-L679 HydrophobicContact CG1-CD1 3.91Å; I677-L679 HydrophobicContact CG1-CG 3.86Å; I677-L679 PolarHBondContact O-N 3.01Å; I677-L679 VanDerWaalsContact O-N 3.13Å; L679-Q683 HydrophobicContact CB-CB 4.04Å; L679-Q683 HydrophobicContact CD2-CB 4.16Å; L679-Q683 HydrophobicContact CG-CB 4.49Å; L679-L684 HydrophobicContact CB-CD2 3.99Å; L679-L684 HydrophobicContact CB-CG 4.1Å; L679-L684 HydrophobicContact CD1-CD2 4.22Å; L679-L687 HydrophobicContact CD1-CD2 3.73Å
680	S	96.9	Very high	96.2	Very high	50 Å²	50	35.8 Å²	35.8	35%	0.35	20%	0.204	S	C	.	.			trans	-69.8	162	171.3	74.5	0	0	0	0	111.2	D682 Q683 L684	S680-D682 PolarHBondContact O-N 2.9Å; S680-Q683 WeakPolarHBondContact O-CB 3.39Å; S680-Q683 PolarHBondContact O-N 2.95Å; S680-Q683 WeakPolarHBondContact OG-CG 3.4Å; S680-Q683 PolarHBondContact OG-N 2.71Å; S680-L684 VanDerWaalsContact O-CG 3.31Å; S680-L684 WeakPolarHBondContact O-CG 3.47Å; S680-L684 PolarHBondContact O-N 2.83Å
681	H	97.8	Very high	96.4	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-28.8	175.8	-79	-67.6	0	0	0	113.7	S571 Y661 E671 P672 Q683 L684 F685	S571-H681 WeakPolarHBondContact CB-O 3.33Å; S571-H681 PolarHBondContact OG-ND1 3.5Å; Y661-H681 WeakPolarHBondContact OH-CB 3.44Å; E671-H681 PolarHBondContact O-CD2 3.34Å; E671-H681 VanDerWaalsContact O-CD2 3.32Å; E671-H681 PolarHBondContact O-NE2 3.06Å; E671-H681 VanDerWaalsContact O-NE2 3.14Å; P672-H681 PolarHBondContact O-CE1 2.72Å; P672-H681 PolarHBondContact O-NE2 2.83Å; H681-Q683 VanDerWaalsContact C-N 3.34Å; H681-L684 PolarHBondContact O-N 3.48Å; H681-F685 PolarHBondContact O-N 2.8Å
682	D	98.1	Very high	96.5	Very high	36 Å²	36	28 Å²	28	19%	0.193	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-40	171.4	-72.5	-12.9	0	0	0	110.9	Y658 Y661 K662 S680 F686 A731	Y658-D682 HydrophobicContact CE2-CB 4.39Å; Y658-D682 VanDerWaalsContact OH-CG 3.3Å; Y658-D682 PolarHBondContact OH-OD2 3.39Å; Y661-D682 WeakPolarHBondContact CE1-OD1 3.4Å; K662-D682 IonicContact NZ-OD1 2.73Å; K662-D682 PolarHBondContact NZ-OD1 2.9Å; K662-D682 IonicContact NZ-OD2 3.91Å; K662-D682 PolarHBondContact NZ-OD2 2.94Å; S680-D682 PolarHBondContact O-N 2.9Å; D682-F686 WeakPolarHBondContact O-CD2 3.47Å; D682-A731 HydrophobicContact CB-CB 4.28Å
683	Q	98.5	Very high	96.7	Very high	34 Å²	34	25.7 Å²	25.7	16%	0.159	15%	0.15	C	C	.	.	H	α-helix	trans	-70.4	-39	174.6	-69.6	171	-37.7	0	0	112.2	L679 S680 H681 F685 F686 L687 A731 F732	L679-Q683 HydrophobicContact CB-CB 4.04Å; L679-Q683 HydrophobicContact CD2-CB 4.16Å; L679-Q683 HydrophobicContact CG-CB 4.49Å; S680-Q683 WeakPolarHBondContact O-CB 3.39Å; S680-Q683 PolarHBondContact O-N 2.95Å; S680-Q683 WeakPolarHBondContact OG-CG 3.4Å; S680-Q683 PolarHBondContact OG-N 2.71Å; H681-Q683 VanDerWaalsContact C-N 3.34Å; Q683-F685 VanDerWaalsContact C-N 3.31Å; Q683-F685 PolarHBondContact O-N 2.94Å; Q683-F686 PolarHBondContact O-N 2.97Å; Q683-L687 WeakPolarHBondContact O-CB 3.49Å; Q683-L687 PolarHBondContact O-N 2.77Å; Q683-A731 HydrophobicContact CG-CB 4.39Å; Q683-A731 WeakPolarHBondContact CG-O 3.32Å; Q683-A731 PolarHBondContact NE2-O 3.24Å; Q683-F732 HydrophobicContact CB-CE1 4.07Å; Q683-F732 HydrophobicContact CB-CE2 4.16Å; Q683-F732 HydrophobicContact CB-CZ 3.64Å; Q683-F732 HydrophobicContact CG-CD1 4.28Å; Q683-F732 HydrophobicContact CG-CD2 4.41Å; Q683-F732 HydrophobicContact CG-CE1 3.91Å; Q683-F732 HydrophobicContact CG-CE2 4.04Å; Q683-F732 HydrophobicContact CG-CZ 3.77Å
684	L	98.6	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-34.6	177.1	-69.3	173.9	0	0	0	112.3	L68 L572 L674 I677 L679 S680 H681 L687 N688	L68-L684 HydrophobicContact CD1-CD2 3.86Å; L572-L684 HydrophobicContact CD2-CB 4.03Å; L674-L684 HydrophobicContact CB-CD1 4.3Å; L674-L684 HydrophobicContact CD1-CD1 3.82Å; L674-L684 HydrophobicContact CD1-CD2 4.16Å; L674-L684 HydrophobicContact CG-CD1 4.01Å; I677-L684 HydrophobicContact CD1-CD2 4.02Å; I677-L684 HydrophobicContact CG2-CD2 4.28Å; L679-L684 HydrophobicContact CB-CD2 3.99Å; L679-L684 HydrophobicContact CB-CG 4.1Å; L679-L684 HydrophobicContact CD1-CD2 4.22Å; S680-L684 VanDerWaalsContact O-CG 3.31Å; S680-L684 WeakPolarHBondContact O-CG 3.47Å; S680-L684 PolarHBondContact O-N 2.83Å; H681-L684 PolarHBondContact O-N 3.48Å; L684-L687 HydrophobicContact CD2-CD2 4.39Å; L684-L687 PolarHBondContact O-N 2.6Å; L684-N688 PolarHBondContact O-N 3.01Å
685	F	98.8	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.8	-54.6	172.1	171.9	-81.1	0	0	0	110.8	S571 G575 I654 A657 Y658 Y661 H681 Q683 L687 N688 F689	S571-F685 WeakPolarHBondContact O-CA 3.35Å; G575-F685 VanDerWaalsContact CA-CE2 3.5Å; G575-F685 VanDerWaalsContact N-CD2 3.35Å; G575-F685 VanDerWaalsContact N-CE2 3.31Å; I654-F685 HydrophobicContact CD1-CE1 4.45Å; I654-F685 HydrophobicContact CG1-CE1 3.94Å; I654-F685 HydrophobicContact CG1-CZ 4.24Å; A657-F685 HydrophobicContact CB-CE2 4.2Å; A657-F685 HydrophobicContact CB-CZ 4.02Å; Y658-F685 AromaticContact CD2-CD1 3.59Å; Y658-F685 HydrophobicContact CD2-CD1 3.59Å; Y658-F685 HydrophobicContact CD2-CD2 4.25Å; Y658-F685 AromaticContact CD2-CE1 3.73Å; Y658-F685 HydrophobicContact CD2-CE1 3.73Å; Y658-F685 HydrophobicContact CD2-CE2 4.32Å; Y658-F685 AromaticContact CD2-CG 3.91Å; Y658-F685 HydrophobicContact CD2-CG 3.91Å; Y658-F685 HydrophobicContact CD2-CZ 4.11Å; Y658-F685 HydrophobicContact CE2-CD1 4.32Å; Y658-F685 HydrophobicContact CG-CD1 4.49Å; Y658-F685 HydrophobicContact CG-CE1 4.2Å; Y658-F685 HydrophobicContact CG-CZ 4.39Å; Y661-F685 HydrophobicContact CD1-CD2 4.33Å; Y661-F685 HydrophobicContact CG-CD2 4.33Å; H681-F685 PolarHBondContact O-N 2.8Å; Q683-F685 VanDerWaalsContact C-N 3.31Å; Q683-F685 PolarHBondContact O-N 2.94Å; F685-L687 VanDerWaalsContact C-N 3.35Å; F685-L687 PolarHBondContact O-N 3.48Å; F685-N688 PolarHBondContact O-N 2.9Å; F685-F689 PolarHBondContact O-N 3.41Å
686	F	98.8	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-36.1	-179	-65.5	-59.4	0	0	0	112.1	F82 I654 Y658 D682 Q683 F689 A690 L722 L725 E727 F728 A731 F732	F82-F686 HydrophobicContact CE1-CB 4.18Å; F82-F686 WeakPolarHBondContact CE1-O 3.19Å; F82-F686 HydrophobicContact CZ-CB 4.02Å; I654-F686 HydrophobicContact CD1-CD1 4.16Å; I654-F686 HydrophobicContact CD1-CE1 4.28Å; Y658-F686 HydrophobicContact CD1-CZ 4.47Å; Y658-F686 HydrophobicContact CD2-CE1 4.26Å; Y658-F686 HydrophobicContact CD2-CE2 4.19Å; Y658-F686 AromaticContact CD2-CZ 3.68Å; Y658-F686 HydrophobicContact CD2-CZ 3.68Å; Y658-F686 HydrophobicContact CE1-CZ 4.5Å; Y658-F686 AromaticContact CE2-CE2 3.77Å; Y658-F686 HydrophobicContact CE2-CE2 3.77Å; Y658-F686 AromaticContact CE2-CZ 3.69Å; Y658-F686 HydrophobicContact CE2-CZ 3.69Å; Y658-F686 HydrophobicContact CG-CZ 4.07Å; D682-F686 WeakPolarHBondContact O-CD2 3.47Å; Q683-F686 PolarHBondContact O-N 2.97Å; F686-F689 WeakPolarHBondContact O-CB 3.34Å; F686-F689 PolarHBondContact O-N 3Å; F686-A690 PolarHBondContact O-N 3.36Å; F686-L722 HydrophobicContact CD1-CD2 3.61Å; F686-L722 HydrophobicContact CE1-CD2 4.14Å; F686-L722 HydrophobicContact CG-CD2 4.45Å; F686-L725 HydrophobicContact CD1-CD2 4.48Å; F686-L725 HydrophobicContact CE1-CD2 3.43Å; F686-L725 VanDerWaalsContact CE1-CD2 3.43Å; F686-L725 HydrophobicContact CZ-CD2 3.93Å; F686-E727 HydrophobicContact CZ-CB 4.43Å; F686-F728 HydrophobicContact CB-CD2 4.01Å; F686-F728 HydrophobicContact CB-CE2 4.46Å; F686-F728 HydrophobicContact CD1-CB 4.23Å; F686-F728 HydrophobicContact CD1-CD2 4.13Å; F686-F728 HydrophobicContact CD2-CB 4.4Å; F686-F728 HydrophobicContact CD2-CD2 4.03Å; F686-F728 HydrophobicContact CE1-CB 4.02Å; F686-F728 HydrophobicContact CE2-CB 4.18Å; F686-F728 HydrophobicContact CG-CB 4.44Å; F686-F728 AromaticContact CG-CD2 3.77Å; F686-F728 HydrophobicContact CG-CD2 3.77Å; F686-F728 HydrophobicContact CZ-CB 3.99Å; F686-A731 HydrophobicContact CD2-CB 4Å; F686-A731 HydrophobicContact CE2-CB 3.8Å; F686-F732 HydrophobicContact CB-CE2 3.92Å; F686-F732 HydrophobicContact CD2-CE2 4.06Å; F686-F732 HydrophobicContact CG-CE2 4.38Å
687	L	98.7	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-46.1	175.4	-176.6	63.6	0	0	0	111.3	L68 Y85 I677 L679 Q683 L684 F685 A690 Q691	L68-L687 HydrophobicContact CB-CD2 4.15Å; L68-L687 HydrophobicContact CD2-CD2 4.11Å; L68-L687 HydrophobicContact CD2-CG 4.16Å; L68-L687 HydrophobicContact CG-CD2 4.5Å; Y85-L687 HydrophobicContact CE1-CD1 4.17Å; I677-L687 HydrophobicContact CD1-CD2 3.96Å; L679-L687 HydrophobicContact CD1-CD2 3.73Å; Q683-L687 WeakPolarHBondContact O-CB 3.49Å; Q683-L687 PolarHBondContact O-N 2.77Å; L684-L687 HydrophobicContact CD2-CD2 4.39Å; L684-L687 PolarHBondContact O-N 2.6Å; F685-L687 VanDerWaalsContact C-N 3.35Å; F685-L687 PolarHBondContact O-N 3.48Å; L687-A690 PolarHBondContact O-N 3.41Å; L687-Q691 HydrophobicContact CD1-CG 4.36Å; L687-Q691 WeakPolarHBondContact O-CB 3.27Å; L687-Q691 VanDerWaalsContact O-CG 3.3Å; L687-Q691 WeakPolarHBondContact O-CG 3.47Å; L687-Q691 PolarHBondContact O-N 3.02Å
688	N	98.5	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.4	-158.6	58.3	0	0	0	111.7	R67 P562 L572 L684 F685 A690 Q691 I692	R67-N688 PolarHBondContact NH2-OD1 3.13Å; P562-N688 PolarHBondContact O-ND2 3.39Å; P562-N688 VanDerWaalsContact O-ND2 3.07Å; L572-N688 HydrophobicContact CB-CB 4.32Å; L572-N688 HydrophobicContact CD2-CB 3.77Å; L572-N688 PolarHBondContact O-ND2 3.44Å; L684-N688 PolarHBondContact O-N 3.01Å; F685-N688 PolarHBondContact O-N 2.9Å; N688-A690 VanDerWaalsContact C-N 3.33Å; N688-A690 PolarHBondContact O-N 3.1Å; N688-Q691 PolarHBondContact O-N 3.43Å; N688-Q691 VanDerWaalsContact O-N 3.14Å; N688-I692 PolarHBondContact O-N 3.43Å
689	F	98.6	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-53.1	-49.5	171.6	161.7	-99.6	0	0	0	111.4	G575 M579 I654 F685 F686 Q691 I692 W693 V718 L722	G575-F689 WeakPolarHBondContact O-CA 3.27Å; G575-F689 WeakPolarHBondContact O-CB 3.45Å; G575-F689 PolarHBondContact O-N 2.72Å; M579-F689 HydrophobicContact CB-CD2 4.29Å; M579-F689 HydrophobicContact CE-CD2 4.44Å; M579-F689 HydrophobicContact CE-CE2 3.71Å; M579-F689 HydrophobicContact CG-CD2 3.73Å; M579-F689 HydrophobicContact CG-CE2 3.84Å; M579-F689 HydrophobicContact SD-CD2 4.15Å; M579-F689 HydrophobicContact SD-CE2 4Å; I654-F689 HydrophobicContact CB-CD2 4.46Å; I654-F689 HydrophobicContact CB-CE2 4.27Å; I654-F689 HydrophobicContact CD1-CB 4.3Å; I654-F689 HydrophobicContact CD1-CD1 3.43Å; I654-F689 VanDerWaalsContact CD1-CD1 3.43Å; I654-F689 HydrophobicContact CD1-CD2 3.66Å; I654-F689 HydrophobicContact CD1-CE1 3.55Å; I654-F689 HydrophobicContact CD1-CE2 3.76Å; I654-F689 HydrophobicContact CD1-CG 3.49Å; I654-F689 VanDerWaalsContact CD1-CG 3.49Å; I654-F689 HydrophobicContact CD1-CZ 3.72Å; I654-F689 HydrophobicContact CG1-CD2 4Å; I654-F689 HydrophobicContact CG1-CE2 4.2Å; I654-F689 HydrophobicContact CG1-CG 4.17Å; F685-F689 PolarHBondContact O-N 3.41Å; F686-F689 WeakPolarHBondContact O-CB 3.34Å; F686-F689 PolarHBondContact O-N 3Å; F689-Q691 VanDerWaalsContact C-N 3.32Å; F689-Q691 PolarHBondContact O-N 3.44Å; F689-I692 WeakPolarHBondContact O-CG1 3.18Å; F689-W693 AromaticContact CD2-NE1 3.97Å; F689-W693 AromaticContact CE2-NE1 3.52Å; F689-W693 AromaticContact CZ-NE1 3.98Å; F689-V718 HydrophobicContact CE1-CB 4.36Å; F689-V718 HydrophobicContact CE1-CG1 4.22Å; F689-V718 HydrophobicContact CE1-CG2 4.3Å; F689-L722 HydrophobicContact CD1-CD1 4.22Å; F689-L722 HydrophobicContact CD1-CD2 4.04Å; F689-L722 HydrophobicContact CD1-CG 4.26Å; F689-L722 HydrophobicContact CE1-CD1 4.06Å; F689-L722 HydrophobicContact CE1-CD2 3.97Å; F689-L722 HydrophobicContact CE1-CG 3.83Å
690	A	98.5	Very high	96.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.2	-35	179.6	0	0	0	0	0	112	F82 S86 F686 L687 N688 I692 W693 V718	F82-A690 HydrophobicContact CD1-CB 3.8Å; F82-A690 HydrophobicContact CE1-CB 3.63Å; S86-A690 WeakPolarHBondContact OG-CB 3.35Å; F686-A690 PolarHBondContact O-N 3.36Å; L687-A690 PolarHBondContact O-N 3.41Å; N688-A690 VanDerWaalsContact C-N 3.33Å; N688-A690 PolarHBondContact O-N 3.1Å; A690-I692 PolarHBondContact O-N 2.93Å; A690-W693 WeakPolarHBondContact O-CB 3.26Å; A690-W693 PolarHBondContact O-N 3.2Å; A690-W693 VanDerWaalsContact O-N 3.1Å; A690-V718 HydrophobicContact CB-CG1 3.65Å; A690-V718 HydrophobicContact CB-CG2 4.15Å
691	Q	98	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-75.1	-18.4	-176.5	-74.8	-168.8	7.3	0	0	115.6	L68 K71 S86 L687 N688 F689 W693 C694	L68-Q691 VanDerWaalsContact CD2-OE1 3.31Å; L68-Q691 PolarHBondContact O-NE2 2.91Å; K71-Q691 HydrophobicContact CB-CG 4.47Å; K71-Q691 HydrophobicContact CD-CB 4.39Å; K71-Q691 HydrophobicContact CD-CG 4.33Å; S86-Q691 WeakPolarHBondContact O-CG 3.27Å; S86-Q691 PolarHBondContact O-NE2 3.3Å; L687-Q691 HydrophobicContact CD1-CG 4.36Å; L687-Q691 WeakPolarHBondContact O-CB 3.27Å; L687-Q691 VanDerWaalsContact O-CG 3.3Å; L687-Q691 WeakPolarHBondContact O-CG 3.47Å; L687-Q691 PolarHBondContact O-N 3.02Å; N688-Q691 PolarHBondContact O-N 3.43Å; N688-Q691 VanDerWaalsContact O-N 3.14Å; F689-Q691 VanDerWaalsContact C-N 3.32Å; F689-Q691 PolarHBondContact O-N 3.44Å; Q691-W693 PolarHBondContact O-N 2.8Å; Q691-C694 VanDerWaalsContact CA-SG 3.55Å; Q691-C694 PolarHBondContact O-N 3.41Å
692	I	96.8	Very high	96.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.6	-20.3	168.6	61.4	159.3	0	0	0	112.1	L105 P562 F563 M579 N688 F689 A690	L105-I692 HydrophobicContact CD2-CB 4.07Å; L105-I692 HydrophobicContact CD2-CG2 4.21Å; P562-I692 HydrophobicContact CG-CG2 4.08Å; F563-I692 HydrophobicContact CD1-CB 4.35Å; F563-I692 HydrophobicContact CD1-CD1 4.24Å; F563-I692 HydrophobicContact CD1-CG2 3.96Å; F563-I692 HydrophobicContact CE1-CB 3.77Å; F563-I692 HydrophobicContact CE1-CD1 3.78Å; F563-I692 HydrophobicContact CE1-CG1 4.37Å; F563-I692 HydrophobicContact CE1-CG2 3.89Å; F563-I692 HydrophobicContact CZ-CB 4.18Å; F563-I692 HydrophobicContact CZ-CG2 4.42Å; M579-I692 HydrophobicContact SD-CD1 4.33Å; N688-I692 PolarHBondContact O-N 3.43Å; F689-I692 WeakPolarHBondContact O-CG1 3.18Å; A690-I692 PolarHBondContact O-N 2.93Å
693	W	97.3	Very high	95.6	Very high	15 Å²	15	17.2 Å²	17.2	6%	0.057	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.5	179.7	-59	115	0	0	0	113.9	Y83 Y106 M579 F689 A690 Q691 G695 V714 V718	Y83-W693 PolarHBondContact OH-O 3.1Å; Y106-W693 HydrophobicContact CE2-CE3 4.39Å; Y106-W693 HydrophobicContact CE2-CZ3 4.09Å; M579-W693 HydrophobicContact CE-CZ2 3.79Å; M579-W693 HydrophobicContact SD-CZ2 4.16Å; F689-W693 AromaticContact CD2-NE1 3.97Å; F689-W693 AromaticContact CE2-NE1 3.52Å; F689-W693 AromaticContact CZ-NE1 3.98Å; A690-W693 WeakPolarHBondContact O-CB 3.26Å; A690-W693 PolarHBondContact O-N 3.2Å; A690-W693 VanDerWaalsContact O-N 3.1Å; Q691-W693 PolarHBondContact O-N 2.8Å; W693-G695 PolarHBondContact O-N 2.97Å; W693-V714 HydrophobicContact CB-CB 4.09Å; W693-V714 HydrophobicContact CE3-CB 4.46Å; W693-V714 HydrophobicContact CE3-CG1 4.15Å; W693-V714 WeakPolarHBondContact O-CB 3.45Å; W693-V714 WeakPolarHBondContact O-CG2 3.46Å; W693-V718 HydrophobicContact CB-CG2 3.62Å; W693-V718 HydrophobicContact CG-CG2 3.85Å
694	C	97.5	Very high	95	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	9%	0.086	C	C	.	.			trans	-59.4	119.2	177.7	-62.2	0	0	0	0	111.2	C87 W90 G104 L105 Q691	C87-C694 VanDerWaalsContact CA-SG 3.52Å; C87-C694 HydrophobicContact CB-CB 3.82Å; C87-C694 WeakPolarHBondContact CB-SG 3.46Å; C87-C694 WeakPolarHBondContact SG-CA 3.01Å; C87-C694 WeakPolarHBondContact SG-CB 3.21Å; C87-C694 CovalentContact SG-SG 2.04Å; C87-C694 PolarHBondContact SG-SG 3.08Å; W90-C694 HydrophobicContact CB-CB 4.48Å; W90-C694 HydrophobicContact CD2-CB 4.09Å; W90-C694 HydrophobicContact CE3-CB 4.2Å; W90-C694 HydrophobicContact CG-CB 4.21Å; G104-C694 WeakPolarHBondContact CA-O 3.21Å; L105-C694 PolarHBondContact N-O 3.1Å; Q691-C694 VanDerWaalsContact CA-SG 3.55Å; Q691-C694 PolarHBondContact O-N 3.41Å
695	G	95.6	Very high	94.6	Very high	9 Å²	9	16.7 Å²	16.7	9%	0.093	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	168	-179.9	0	0	0	0	0	113.9	Y83 L91 Y103 W693	Y83-G695 PolarHBondContact OH-N 3.4Å; Y83-G695 PolarHBondContact OH-O 3.29Å; L91-G695 WeakPolarHBondContact CD2-O 3.3Å; Y103-G695 CarbonylContact O-C 3.59Å; Y103-G695 WeakPolarHBondContact O-CA 3.36Å; W693-G695 PolarHBondContact O-N 2.97Å
696	S	94	Very high	94.2	Very high	23 Å²	23	17.4 Å²	17.4	16%	0.161	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.5	179.5	58.4	0	0	0	0	110.8	I96 K102 Y103	I96-S696 WeakPolarHBondContact CG1-OG 3.37Å; K102-S696 CarbonylContact C-O 3.47Å; K102-S696 VanDerWaalsContact CA-O 3.27Å; K102-S696 WeakPolarHBondContact CA-O 3.46Å; Y103-S696 PolarHBondContact N-O 3.23Å; Y103-S696 PolarHBondContact O-N 3.41Å
697	Y	94.6	Very high	93.4	Very high	18 Å²	18	22.1 Å²	22.1	7%	0.071	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.3	-175.2	-67	-109.3	0	0	0	109.9	K102 W630 Q701 V714	K102-Y697 HydrophobicContact CB-CD1 3.76Å; K102-Y697 HydrophobicContact CB-CE1 4Å; K102-Y697 HydrophobicContact CB-CG 4.14Å; K102-Y697 HydrophobicContact CD-CD1 4.27Å; K102-Y697 HydrophobicContact CD-CE1 3.68Å; K102-Y697 HydrophobicContact CG-CE1 4.49Å; W630-Y697 AromaticContact CH2-CD1 3.76Å; W630-Y697 HydrophobicContact CH2-CD1 3.76Å; W630-Y697 AromaticContact CH2-CD2 3.96Å; W630-Y697 HydrophobicContact CH2-CD2 3.96Å; W630-Y697 HydrophobicContact CH2-CE1 4.04Å; W630-Y697 HydrophobicContact CH2-CE2 4.27Å; W630-Y697 AromaticContact CH2-CG 3.71Å; W630-Y697 HydrophobicContact CH2-CG 3.71Å; W630-Y697 HydrophobicContact CZ2-CD1 4.3Å; W630-Y697 AromaticContact CZ2-CD2 3.69Å; W630-Y697 HydrophobicContact CZ2-CD2 3.69Å; W630-Y697 HydrophobicContact CZ2-CE2 4.19Å; W630-Y697 AromaticContact CZ2-CG 3.77Å; W630-Y697 HydrophobicContact CZ2-CG 3.77Å; Y697-Q701 HydrophobicContact CD1-CG 4Å; Y697-V714 HydrophobicContact CE2-CG1 4.45Å; Y697-V714 HydrophobicContact CE2-CG2 3.93Å
698	R	92.9	Very high	92.6	Very high	47 Å²	47	26.2 Å²	26.2	18%	0.177	13%	0.132	C	C	.	.			trans	-71	149.5	162.9	-65.6	-173.8	-176.4	-79.8	-4.8	109.2	I96 P97 H100 A101 G400 Q700 Q701 A702	I96-R698 HydrophobicContact CD1-CG 3.9Å; I96-R698 HydrophobicContact CG2-CG 4.18Å; I96-R698 PolarHBondContact O-NH2 3.41Å; P97-R698 PolarHBondContact O-NH2 3.13Å; H100-R698 PolarHBondContact O-NE 2.9Å; A101-R698 WeakPolarHBondContact O-CB 3.5Å; A101-R698 WeakPolarHBondContact O-CG 3.39Å; A101-R698 PolarHBondContact O-N 3.42Å; G400-R698 WeakPolarHBondContact O-CD 3.11Å; R698-Q700 VanDerWaalsContact C-N 3.26Å; R698-Q700 PolarHBondContact O-N 3.13Å; R698-Q701 HydrophobicContact CB-CB 4.45Å; R698-Q701 CarbonylContact O-C 3.57Å; R698-Q701 WeakPolarHBondContact O-CA 3.27Å; R698-Q701 WeakPolarHBondContact O-CB 3.07Å; R698-Q701 PolarHBondContact O-N 2.85Å; R698-A702 PolarHBondContact O-N 2.79Å
699	P	91.1	Very high	92.2	Very high	65 Å²	65	28 Å²	28	42%	0.422	14%	0.141	S	C	.	.	H	α-helix	trans	-54.1	-40.2	179.3	-28	35.5	0	0	0	113.7	L632 Q701 A702 L703	L632-P699 WeakPolarHBondContact O-CA 3.49Å; P699-Q701 VanDerWaalsContact C-N 3.34Å; P699-Q701 PolarHBondContact O-N 3.41Å; P699-A702 PolarHBondContact O-N 3.31Å; P699-L703 WeakPolarHBondContact O-CG 3.01Å; P699-L703 PolarHBondContact O-N 2.98Å; P699-L703 VanDerWaalsContact O-N 3.09Å
700	Q	88.6	Confident	91.8	Very high	82 Å²	82	31.8 Å²	31.8	38%	0.383	16%	0.161	S	C	.	.	H	α-helix	trans	-61.3	-43.5	176	-61.5	79.4	5.8	0	0	111.4	R698 L703 I704	R698-Q700 VanDerWaalsContact C-N 3.26Å; R698-Q700 PolarHBondContact O-N 3.13Å; Q700-L703 PolarHBondContact O-N 3.1Å; Q700-I704 WeakPolarHBondContact O-CG1 3.27Å; Q700-I704 PolarHBondContact O-N 3.16Å; Q700-I704 VanDerWaalsContact O-N 3.17Å
701	Q	91	Very high	91.6	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-33.4	177.6	-172.3	56.8	46.9	0	0	112.6	A101 K102 Y697 R698 P699 L703 I704 S705	A101-Q701 HydrophobicContact CB-CB 3.9Å; A101-Q701 HydrophobicContact CB-CG 3.86Å; A101-Q701 VanDerWaalsContact O-CB 3.31Å; A101-Q701 WeakPolarHBondContact O-CB 3.45Å; K102-Q701 HydrophobicContact CB-CG 4.21Å; Y697-Q701 HydrophobicContact CD1-CG 4Å; R698-Q701 HydrophobicContact CB-CB 4.45Å; R698-Q701 CarbonylContact O-C 3.57Å; R698-Q701 WeakPolarHBondContact O-CA 3.27Å; R698-Q701 WeakPolarHBondContact O-CB 3.07Å; R698-Q701 PolarHBondContact O-N 2.85Å; P699-Q701 VanDerWaalsContact C-N 3.34Å; P699-Q701 PolarHBondContact O-N 3.41Å; Q701-L703 VanDerWaalsContact C-N 3.34Å; Q701-I704 PolarHBondContact O-N 2.91Å; Q701-S705 PolarHBondContact NE2-OG 2.94Å; Q701-S705 WeakPolarHBondContact O-CB 3.45Å; Q701-S705 PolarHBondContact O-N 3.44Å; Q701-S705 PolarHBondContact O-OG 3.12Å
702	A	92.7	Very high	91.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175	0	0	0	0	0	110.9	W630 L632 A633 R698 P699 I704 S705 I706	W630-A702 HydrophobicContact CD2-CB 4.38Å; W630-A702 HydrophobicContact CE3-CB 4.03Å; W630-A702 HydrophobicContact CH2-CB 3.57Å; W630-A702 HydrophobicContact CZ2-CB 3.93Å; W630-A702 HydrophobicContact CZ3-CB 3.62Å; W630-A702 WeakPolarHBondContact CZ3-O 3.29Å; L632-A702 HydrophobicContact CB-CB 3.72Å; A633-A702 HydrophobicContact CB-CB 4.32Å; R698-A702 PolarHBondContact O-N 2.79Å; P699-A702 PolarHBondContact O-N 3.31Å; A702-I704 VanDerWaalsContact C-N 3.34Å; A702-I704 PolarHBondContact O-N 3.26Å; A702-S705 PolarHBondContact O-N 3.1Å; A702-I706 PolarHBondContact O-N 2.83Å
703	L	88.2	Confident	91.6	Very high	36 Å²	36	35 Å²	35	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-37	174.1	-70.1	174.5	0	0	0	113.4	R237 A633 L636 P699 Q700 Q701 I706	R237-L703 VanDerWaalsContact NH1-CD2 3.26Å; A633-L703 HydrophobicContact CB-CD2 4.17Å; L636-L703 HydrophobicContact CD1-CD2 3.97Å; P699-L703 WeakPolarHBondContact O-CG 3.01Å; P699-L703 PolarHBondContact O-N 2.98Å; P699-L703 VanDerWaalsContact O-N 3.09Å; Q700-L703 PolarHBondContact O-N 3.1Å; Q701-L703 VanDerWaalsContact C-N 3.34Å; L703-I706 WeakPolarHBondContact O-CG2 3.39Å
704	I	87.1	Confident	91.5	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.092	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-49.3	173.5	-67	166.2	0	0	0	109.9	L227 Y231 L398 T399 Q700 Q701 A702 I706 K707 M708	L227-I704 HydrophobicContact CD1-CD1 3.33Å; L227-I704 HydrophobicContact CD1-CG1 3.55Å; L227-I704 HydrophobicContact CD1-CG2 4.2Å; Y231-I704 WeakPolarHBondContact OH-CG1 3.41Å; L398-I704 WeakPolarHBondContact O-CD1 3.34Å; T399-I704 HydrophobicContact CG2-CD1 4.45Å; Q700-I704 WeakPolarHBondContact O-CG1 3.27Å; Q700-I704 PolarHBondContact O-N 3.16Å; Q700-I704 VanDerWaalsContact O-N 3.17Å; Q701-I704 PolarHBondContact O-N 2.91Å; A702-I704 VanDerWaalsContact C-N 3.34Å; A702-I704 PolarHBondContact O-N 3.26Å; I704-I706 PolarHBondContact O-N 3.19Å; I704-K707 PolarHBondContact O-N 2.91Å; I704-K707 VanDerWaalsContact O-N 3.17Å; I704-M708 HydrophobicContact CG2-CB 4.47Å; I704-M708 WeakPolarHBondContact O-CB 3.3Å; I704-M708 PolarHBondContact O-N 3.43Å
705	S	90.2	Very high	91.5	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-41.5	-171.5	-48.1	0	0	0	0	111.1	Q701 A702 K707 D709	Q701-S705 PolarHBondContact NE2-OG 2.94Å; Q701-S705 WeakPolarHBondContact O-CB 3.45Å; Q701-S705 PolarHBondContact O-N 3.44Å; Q701-S705 PolarHBondContact O-OG 3.12Å; A702-S705 PolarHBondContact O-N 3.1Å; S705-K707 PolarHBondContact O-N 2.9Å; S705-K707 VanDerWaalsContact O-N 3.13Å; S705-D709 WeakPolarHBondContact O-CB 3.36Å; S705-D709 PolarHBondContact O-N 2.95Å
706	I	89.1	Confident	91.6	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-19.3	179.3	-155	173.1	0	0	0	113.7	W630 A633 L636 H637 L638 A702 L703 I704	W630-I706 HydrophobicContact CB-CD1 4.47Å; W630-I706 HydrophobicContact CE3-CB 4.34Å; W630-I706 HydrophobicContact CE3-CD1 4.42Å; A633-I706 HydrophobicContact CB-CD1 3.96Å; A633-I706 HydrophobicContact CB-CG2 4.31Å; L636-I706 HydrophobicContact CB-CD1 3.7Å; L636-I706 HydrophobicContact CD1-CG2 4.35Å; L636-I706 WeakPolarHBondContact O-CD1 3.34Å; H637-I706 WeakPolarHBondContact O-CD1 3.48Å; L638-I706 HydrophobicContact CD1-CD1 4.36Å; A702-I706 PolarHBondContact O-N 2.83Å; L703-I706 WeakPolarHBondContact O-CG2 3.39Å; I704-I706 PolarHBondContact O-N 3.19Å
707	K	82.6	Confident	91.8	Very high	100 Å²	100	37.2 Å²	37.2	44%	0.435	18%	0.184	S	C	.	.	H	α-helix	trans	-102.8	-33.4	-177.7	-73.1	-64.1	-168.2	152.9	0	113.8	D230 I704 S705	D230-K707 WeakPolarHBondContact OD2-CE 3.47Å; D230-K707 IonicContact OD2-NZ 2.81Å; D230-K707 PolarHBondContact OD2-NZ 2.94Å; I704-K707 PolarHBondContact O-N 2.91Å; I704-K707 VanDerWaalsContact O-N 3.17Å; S705-K707 PolarHBondContact O-N 2.9Å; S705-K707 VanDerWaalsContact O-N 3.13Å
708	M	82.6	Confident	92	Very high	85 Å²	85	36.4 Å²	36.4	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-119.1	-24.4	-167.4	-63.1	-57.9	-64	0	0	113.8	L227 S228 I704	L227-M708 WeakPolarHBondContact O-CE 3.48Å; S228-M708 WeakPolarHBondContact CB-SD 3.49Å; I704-M708 HydrophobicContact CG2-CB 4.47Å; I704-M708 WeakPolarHBondContact O-CB 3.3Å; I704-M708 PolarHBondContact O-N 3.43Å
709	D	88.4	Confident	92.2	Very high	37 Å²	37	35 Å²	35	20%	0.198	18%	0.177	C	C	.	.			trans	-79.1	130.7	178.6	-153.9	-23.1	0	0	0	108.5	N642 S705 H711	N642-D709 PolarHBondContact ND2-O 2.92Å; S705-D709 WeakPolarHBondContact O-CB 3.36Å; S705-D709 PolarHBondContact O-N 2.95Å; D709-H711 IonicContact OD1-CE1 2.61Å; D709-H711 IonicContact OD1-CG 3.85Å; D709-H711 PolarHBondContact OD1-N 3.3Å; D709-H711 IonicContact OD1-ND1 4Å; D709-H711 PolarHBondContact OD1-ND1 3.45Å
710	I	90.8	Very high	92.6	Very high	81 Å²	81	31.9 Å²	31.9	42%	0.415	16%	0.156	S	C	.	.	S	Bend	trans	-75.1	-15.7	171.7	62	170.1	0	0	0	110.8	T643 E646	T643-I710 WeakPolarHBondContact CA-O 3.39Å; T643-I710 WeakPolarHBondContact CB-O 3.27Å; T643-I710 WeakPolarHBondContact CG2-O 3.37Å; E646-I710 HydrophobicContact CG-CB 4.43Å; E646-I710 HydrophobicContact CG-CD1 4.27Å; E646-I710 HydrophobicContact CG-CG1 4.09Å; E646-I710 VanDerWaalsContact CG-O 3.29Å; E646-I710 WeakPolarHBondContact CG-O 3.49Å
711	H	95.3	Very high	93	Very high	60 Å²	60	28 Å²	28	28%	0.278	14%	0.139	S	C	.	.	S	Bend	trans	-88	140.5	175.1	-51	88.3	0	0	0	110.7	E646 D709 R717	E646-H711 VanDerWaalsContact CG-CD2 3.48Å; E646-H711 WeakPolarHBondContact CG-CD2 3.38Å; E646-H711 IonicContact OE1-CD2 2.69Å; E646-H711 IonicContact OE1-NE2 3.49Å; E646-H711 IonicContact OE2-CD2 2.78Å; E646-H711 PolarHBondContact OE2-CD2 3Å; E646-H711 IonicContact OE2-NE2 3.77Å; E646-H711 PolarHBondContact OE2-NE2 2.93Å; D709-H711 IonicContact OD1-CE1 2.61Å; D709-H711 IonicContact OD1-CG 3.85Å; D709-H711 PolarHBondContact OD1-N 3.3Å; D709-H711 IonicContact OD1-ND1 4Å; D709-H711 PolarHBondContact OD1-ND1 3.45Å; H711-R717 PolarHBondContact CD2-NH1 2.85Å
712	S	97.1	Very high	93.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.021	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-57.6	145.3	162.7	-71.7	0	0	0	0	110.3	Y625 N647 R717	Y625-S712 VanDerWaalsContact CD1-OG 3.27Å; Y625-S712 WeakPolarHBondContact CD1-OG 3.49Å; N647-S712 PolarHBondContact ND2-OG 3.29Å; N647-S712 WeakPolarHBondContact OD1-CB 3.46Å; N647-S712 PolarHBondContact OD1-OG 2.81Å; S712-R717 WeakPolarHBondContact O-CD 3.5Å; S712-R717 VanDerWaalsContact O-CG 3.32Å; S712-R717 WeakPolarHBondContact O-CG 3.41Å
713	P	96.7	Very high	93.6	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.039	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-53.1	144.8	171.8	-24.2	32	0	0	0	111.4	W630 M715 F716 R717	W630-P713 HydrophobicContact CD2-CB 4.32Å; W630-P713 HydrophobicContact CD2-CG 4.05Å; W630-P713 HydrophobicContact CE3-CB 4.2Å; W630-P713 HydrophobicContact CE3-CG 3.56Å; W630-P713 HydrophobicContact CH2-CB 3.73Å; W630-P713 HydrophobicContact CH2-CG 3.82Å; W630-P713 HydrophobicContact CZ2-CB 3.86Å; W630-P713 HydrophobicContact CZ2-CG 4.28Å; W630-P713 HydrophobicContact CZ3-CB 3.91Å; W630-P713 HydrophobicContact CZ3-CG 3.43Å; W630-P713 VanDerWaalsContact CZ3-CG 3.43Å; P713-M715 PolarHBondContact O-N 3.41Å; P713-F716 HydrophobicContact CB-CD2 3.93Å; P713-F716 HydrophobicContact CB-CE2 4.46Å; P713-F716 HydrophobicContact CG-CD2 3.97Å; P713-F716 HydrophobicContact CG-CE2 4.42Å; P713-F716 PolarHBondContact O-N 3.21Å; P713-R717 PolarHBondContact O-N 3.17Å
714	V	95.4	Very high	94.1	Very high	25 Å²	25	26.9 Å²	26.9	15%	0.152	13%	0.132	C	C	.	.	H	α-helix	trans	-51.1	-35.3	-168.2	-61.1	0	0	0	0	114.8	Y83 W693 Y697 R717 V718	Y83-V714 HydrophobicContact CE2-CG2 4.41Å; W693-V714 HydrophobicContact CB-CB 4.09Å; W693-V714 HydrophobicContact CE3-CB 4.46Å; W693-V714 HydrophobicContact CE3-CG1 4.15Å; W693-V714 WeakPolarHBondContact O-CB 3.45Å; W693-V714 WeakPolarHBondContact O-CG2 3.46Å; Y697-V714 HydrophobicContact CE2-CG1 4.45Å; Y697-V714 HydrophobicContact CE2-CG2 3.93Å; V714-R717 PolarHBondContact O-N 3.46Å; V714-V718 PolarHBondContact O-N 3.42Å
715	M	96.7	Very high	94.5	Very high	47 Å²	47	26.2 Å²	26.2	23%	0.232	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-39.7	176.6	67.3	-177.8	-75.1	0	0	112.6	Y83 P713 V718 L719	Y83-M715 HydrophobicContact CD1-CB 3.68Å; Y83-M715 HydrophobicContact CD2-CB 4.08Å; Y83-M715 HydrophobicContact CE1-CB 3.78Å; Y83-M715 HydrophobicContact CE2-CB 4.18Å; Y83-M715 HydrophobicContact CG-CB 3.83Å; P713-M715 PolarHBondContact O-N 3.41Å; M715-V718 PolarHBondContact O-N 3.03Å; M715-L719 HydrophobicContact CE-CD1 4.2Å; M715-L719 VanDerWaalsContact O-CG 3.27Å; M715-L719 WeakPolarHBondContact O-CG 3.46Å; M715-L719 PolarHBondContact O-N 3.46Å
716	F	98.1	Very high	94.8	Very high	9 Å²	9	29 Å²	29	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-79	-24.5	-177.7	-60.5	-61.9	0	0	0	112.2	F628 S629 W630 L638 P713 V718 L719 G720	F628-F716 HydrophobicContact CB-CD1 3.65Å; F628-F716 HydrophobicContact CB-CE1 3.66Å; F628-F716 HydrophobicContact CB-CG 4.11Å; F628-F716 HydrophobicContact CB-CZ 4.12Å; F628-F716 AromaticContact CD1-CD1 3.72Å; F628-F716 HydrophobicContact CD1-CD1 3.72Å; F628-F716 AromaticContact CD1-CE1 3.92Å; F628-F716 HydrophobicContact CD1-CE1 3.92Å; F628-F716 HydrophobicContact CD2-CB 4.02Å; F628-F716 AromaticContact CD2-CD1 3.78Å; F628-F716 HydrophobicContact CD2-CD1 3.78Å; F628-F716 HydrophobicContact CD2-CG 4.07Å; F628-F716 HydrophobicContact CE1-CD1 4.31Å; F628-F716 HydrophobicContact CE2-CB 4.39Å; F628-F716 HydrophobicContact CE2-CD1 4.38Å; F628-F716 AromaticContact CG-CD1 3.44Å; F628-F716 HydrophobicContact CG-CD1 3.44Å; F628-F716 VanDerWaalsContact CG-CD1 3.44Å; F628-F716 AromaticContact CG-CE1 3.83Å; F628-F716 HydrophobicContact CG-CE1 3.83Å; F628-F716 HydrophobicContact CG-CG 4.08Å; S629-F716 WeakPolarHBondContact O-CZ 3.4Å; W630-F716 HydrophobicContact CB-CE2 3.87Å; W630-F716 HydrophobicContact CB-CZ 4.25Å; W630-F716 AromaticContact CD1-CE2 3.87Å; W630-F716 HydrophobicContact CD2-CE2 4.41Å; W630-F716 AromaticContact CG-CE2 3.82Å; W630-F716 HydrophobicContact CG-CE2 3.82Å; W630-F716 HydrophobicContact CG-CZ 4.4Å; L638-F716 HydrophobicContact CD1-CD2 3.79Å; L638-F716 HydrophobicContact CD1-CE2 3.7Å; L638-F716 HydrophobicContact CD1-CZ 4.39Å; L638-F716 HydrophobicContact CD2-CB 3.97Å; L638-F716 HydrophobicContact CD2-CD2 3.75Å; L638-F716 HydrophobicContact CD2-CE2 4.5Å; L638-F716 HydrophobicContact CD2-CG 3.96Å; L638-F716 HydrophobicContact CG-CD2 4.35Å; P713-F716 HydrophobicContact CB-CD2 3.93Å; P713-F716 HydrophobicContact CB-CE2 4.46Å; P713-F716 HydrophobicContact CG-CD2 3.97Å; P713-F716 HydrophobicContact CG-CE2 4.42Å; P713-F716 PolarHBondContact O-N 3.21Å; F716-V718 VanDerWaalsContact C-N 3.27Å; F716-V718 PolarHBondContact O-N 3.03Å; F716-L719 HydrophobicContact CD1-CD1 4.35Å; F716-G720 WeakPolarHBondContact O-CA 3.48Å; F716-G720 PolarHBondContact O-N 2.95Å
717	R	98.4	Very high	95.2	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-40.2	167.3	-61.6	-173.5	78.6	153.6	3.7	111.1	H583 E646 D650 H711 S712 P713 V714 S721	H583-R717 PolarHBondContact CE1-NH2 3.33Å; E646-R717 IonicContact OE2-NH2 2.86Å; D650-R717 IonicContact OD1-CZ 3.88Å; D650-R717 IonicContact OD1-NE 2.7Å; D650-R717 PolarHBondContact OD1-NE 2.98Å; D650-R717 IonicContact OD1-NH2 3.71Å; D650-R717 PolarHBondContact OD1-NH2 3.2Å; D650-R717 WeakPolarHBondContact OD2-CB 3.14Å; D650-R717 WeakPolarHBondContact OD2-CG 3.43Å; D650-R717 IonicContact OD2-CZ 3.61Å; D650-R717 IonicContact OD2-NE 2.73Å; D650-R717 PolarHBondContact OD2-NE 3.46Å; D650-R717 IonicContact OD2-NH2 3.4Å; D650-R717 PolarHBondContact OD2-NH2 3.44Å; H711-R717 PolarHBondContact CD2-NH1 2.85Å; S712-R717 WeakPolarHBondContact O-CD 3.5Å; S712-R717 VanDerWaalsContact O-CG 3.32Å; S712-R717 WeakPolarHBondContact O-CG 3.41Å; P713-R717 PolarHBondContact O-N 3.17Å; V714-R717 PolarHBondContact O-N 3.46Å; R717-S721 WeakPolarHBondContact O-CB 3.3Å; R717-S721 PolarHBondContact O-N 2.96Å; R717-S721 PolarHBondContact O-OG 3.41Å
718	V	98.5	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-70.7	-56	174.9	176.9	0	0	0	0	111.3	F82 Y83 F689 A690 W693 V714 M715 F716 L722	F82-V718 HydrophobicContact CD1-CG1 4.15Å; Y83-V718 HydrophobicContact CD2-CB 4.19Å; Y83-V718 HydrophobicContact CD2-CG2 4.02Å; F689-V718 HydrophobicContact CE1-CB 4.36Å; F689-V718 HydrophobicContact CE1-CG1 4.22Å; F689-V718 HydrophobicContact CE1-CG2 4.3Å; A690-V718 HydrophobicContact CB-CG1 3.65Å; A690-V718 HydrophobicContact CB-CG2 4.15Å; W693-V718 HydrophobicContact CB-CG2 3.62Å; W693-V718 HydrophobicContact CG-CG2 3.85Å; V714-V718 PolarHBondContact O-N 3.42Å; M715-V718 PolarHBondContact O-N 3.03Å; F716-V718 VanDerWaalsContact C-N 3.27Å; F716-V718 PolarHBondContact O-N 3.03Å; V718-L722 HydrophobicContact CG1-CD1 3.84Å; V718-L722 WeakPolarHBondContact O-CB 3.5Å; V718-L722 WeakPolarHBondContact O-CG 3.37Å; V718-L722 PolarHBondContact O-N 3.43Å; V718-L722 VanDerWaalsContact O-N 3.13Å
719	L	98.3	Very high	96.7	Very high	18 Å²	18	22.9 Å²	22.9	9%	0.094	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-50.2	-172.7	-62.7	173.9	0	0	0	111.8	M715 F716 S721 L722 Q723 M740	M715-L719 HydrophobicContact CE-CD1 4.2Å; M715-L719 VanDerWaalsContact O-CG 3.27Å; M715-L719 WeakPolarHBondContact O-CG 3.46Å; M715-L719 PolarHBondContact O-N 3.46Å; F716-L719 HydrophobicContact CD1-CD1 4.35Å; L719-S721 VanDerWaalsContact C-N 3.35Å; L719-S721 PolarHBondContact O-N 3.3Å; L719-L722 PolarHBondContact O-N 2.92Å; L719-Q723 WeakPolarHBondContact O-CB 3.47Å; L719-Q723 VanDerWaalsContact O-CG 3.24Å; L719-Q723 WeakPolarHBondContact O-CG 3.41Å; L719-Q723 PolarHBondContact O-N 3.1Å; L719-M740 HydrophobicContact CD2-CE 3.95Å; L719-M740 HydrophobicContact CD2-SD 3.4Å; L719-M740 WeakPolarHBondContact CD2-SD 3.37Å
720	G	97.8	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-41.4	-178.1	0	0	0	0	0	112.5	Q624 F716 N724	Q624-G720 PolarHBondContact NE2-O 3.42Å; F716-G720 WeakPolarHBondContact O-CA 3.48Å; F716-G720 PolarHBondContact O-N 2.95Å; G720-N724 PolarHBondContact O-ND2 3.16Å
721	S	98.3	Very high	97.5	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-68.8	-42.8	-179.8	-55.8	0	0	0	0	113.2	D650 N651 R717 L719 N724	D650-S721 WeakPolarHBondContact CB-OG 3.32Å; N651-S721 PolarHBondContact ND2-OG 3.01Å; N651-S721 WeakPolarHBondContact OD1-CA 3.48Å; R717-S721 WeakPolarHBondContact O-CB 3.3Å; R717-S721 PolarHBondContact O-N 2.96Å; R717-S721 PolarHBondContact O-OG 3.41Å; L719-S721 VanDerWaalsContact C-N 3.35Å; L719-S721 PolarHBondContact O-N 3.3Å; S721-N724 PolarHBondContact O-N 3.46Å
722	L	98.4	Very high	97.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-74.8	-31.2	-179.3	-64.1	176.8	0	0	0	112.8	F82 I654 F686 F689 V718 L719 N724 L725 F728 M740	F82-L722 HydrophobicContact CB-CD1 4.24Å; F82-L722 HydrophobicContact CD1-CD1 3.19Å; F82-L722 HydrophobicContact CE1-CD1 3.71Å; F82-L722 HydrophobicContact CG-CD1 3.89Å; I654-L722 HydrophobicContact CD1-CD2 3.48Å; I654-L722 VanDerWaalsContact CD1-CD2 3.48Å; F686-L722 HydrophobicContact CD1-CD2 3.61Å; F686-L722 HydrophobicContact CE1-CD2 4.14Å; F686-L722 HydrophobicContact CG-CD2 4.45Å; F689-L722 HydrophobicContact CD1-CD1 4.22Å; F689-L722 HydrophobicContact CD1-CD2 4.04Å; F689-L722 HydrophobicContact CD1-CG 4.26Å; F689-L722 HydrophobicContact CE1-CD1 4.06Å; F689-L722 HydrophobicContact CE1-CD2 3.97Å; F689-L722 HydrophobicContact CE1-CG 3.83Å; V718-L722 HydrophobicContact CG1-CD1 3.84Å; V718-L722 WeakPolarHBondContact O-CB 3.5Å; V718-L722 WeakPolarHBondContact O-CG 3.37Å; V718-L722 PolarHBondContact O-N 3.43Å; V718-L722 VanDerWaalsContact O-N 3.13Å; L719-L722 PolarHBondContact O-N 2.92Å; L722-N724 PolarHBondContact O-N 3.46Å; L722-L725 PolarHBondContact O-N 3.29Å; L722-L725 VanDerWaalsContact O-N 3.09Å; L722-F728 HydrophobicContact CB-CD1 4Å; L722-F728 HydrophobicContact CB-CD2 4.37Å; L722-F728 HydrophobicContact CB-CE1 4.36Å; L722-F728 HydrophobicContact CB-CG 4.02Å; L722-F728 HydrophobicContact CD1-CD2 4.03Å; L722-F728 HydrophobicContact CD1-CE2 3.96Å; L722-F728 HydrophobicContact CD1-CZ 4.4Å; L722-F728 HydrophobicContact CD2-CB 4.05Å; L722-F728 HydrophobicContact CD2-CD2 3.89Å; L722-F728 HydrophobicContact CD2-CG 3.97Å; L722-F728 HydrophobicContact CG-CD2 4.32Å; L722-F728 HydrophobicContact CG-CG 4.38Å; L722-M740 HydrophobicContact CB-CE 3.72Å; L722-M740 HydrophobicContact CD1-CE 4.37Å
723	Q	97.8	Very high	97.7	Very high	40 Å²	40	30.4 Å²	30.4	19%	0.187	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-26.6	172.2	-82.5	178.4	-19.7	0	0	113.2	L719 N739 M740 S742	L719-Q723 WeakPolarHBondContact O-CB 3.47Å; L719-Q723 VanDerWaalsContact O-CG 3.24Å; L719-Q723 WeakPolarHBondContact O-CG 3.41Å; L719-Q723 PolarHBondContact O-N 3.1Å; Q723-N739 PolarHBondContact NE2-O 3.38Å; Q723-M740 WeakPolarHBondContact CA-O 3.4Å; Q723-M740 HydrophobicContact CG-CE 4.49Å; Q723-S742 WeakPolarHBondContact O-CB 3.44Å; Q723-S742 PolarHBondContact O-N 2.89Å
724	N	97.6	Very high	97.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.8	179.7	-67.3	-41	0	0	0	113.7	Q624 N651 R655 G720 S721 L722 P726 I745 C746	Q624-N724 PolarHBondContact NE2-ND2 3.18Å; Q624-N724 PolarHBondContact OE1-ND2 3.42Å; N651-N724 WeakPolarHBondContact OD1-CB 3.32Å; N651-N724 PolarHBondContact OD1-ND2 3.38Å; R655-N724 PolarHBondContact NH2-O 3.1Å; G720-N724 PolarHBondContact O-ND2 3.16Å; S721-N724 PolarHBondContact O-N 3.46Å; L722-N724 PolarHBondContact O-N 3.46Å; N724-P726 WeakPolarHBondContact O-CD 3.37Å; N724-I745 HydrophobicContact CB-CG2 4.24Å; N724-I745 WeakPolarHBondContact O-CG2 3.43Å; N724-C746 PolarHBondContact OD1-N 3.39Å
725	L	97.1	Very high	97.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.183	C	C	.	.			trans	-121	94.2	-173.5	-165.6	68.8	0	0	0	111.4	I654 R655 F686 L722 E727 F728	I654-L725 HydrophobicContact CD1-CD2 4.24Å; I654-L725 HydrophobicContact CG1-CD2 4.39Å; I654-L725 HydrophobicContact CG2-CD2 4.31Å; R655-L725 HydrophobicContact CB-CD1 3.94Å; R655-L725 HydrophobicContact CG-CD1 4.1Å; F686-L725 HydrophobicContact CD1-CD2 4.48Å; F686-L725 HydrophobicContact CE1-CD2 3.43Å; F686-L725 VanDerWaalsContact CE1-CD2 3.43Å; F686-L725 HydrophobicContact CZ-CD2 3.93Å; L722-L725 PolarHBondContact O-N 3.29Å; L722-L725 VanDerWaalsContact O-N 3.09Å; L725-E727 WeakPolarHBondContact CD1-OE2 3.1Å; L725-E727 HydrophobicContact CG-CB 4.29Å; L725-E727 WeakPolarHBondContact CG-OE2 3.26Å; L725-E727 PolarHBondContact O-N 2.98Å; L725-F728 HydrophobicContact CB-CB 4.4Å; L725-F728 WeakPolarHBondContact O-CB 3.3Å; L725-F728 PolarHBondContact O-N 3.26Å
726	P	96.6	Very high	97.5	Very high	64 Å²	64	41.6 Å²	41.6	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-53.5	-29.9	179	-29.5	36.7	0	0	0	114.6	N724 F728 A729 K730 I745	N724-P726 WeakPolarHBondContact O-CD 3.37Å; P726-F728 VanDerWaalsContact C-N 3.28Å; P726-F728 PolarHBondContact O-N 2.89Å; P726-A729 PolarHBondContact O-N 3.36Å; P726-K730 PolarHBondContact O-N 3.5Å; P726-I745 HydrophobicContact CG-CD1 3.67Å
727	E	97.6	Very high	97.2	Very high	53 Å²	53	46.5 Å²	46.5	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-34	177.7	-62.4	85.8	164.7	0	0	112.3	R655 Y658 F686 L725 K730 A731	R655-E727 IonicContact NH1-OE1 2.68Å; R655-E727 IonicContact NH1-OE2 2.81Å; Y658-E727 HydrophobicContact CD1-CB 3.83Å; Y658-E727 HydrophobicContact CD1-CG 4Å; Y658-E727 HydrophobicContact CE1-CB 3.47Å; Y658-E727 VanDerWaalsContact CE1-CB 3.47Å; Y658-E727 HydrophobicContact CE1-CG 3.75Å; F686-E727 HydrophobicContact CZ-CB 4.43Å; L725-E727 WeakPolarHBondContact CD1-OE2 3.1Å; L725-E727 HydrophobicContact CG-CB 4.29Å; L725-E727 WeakPolarHBondContact CG-OE2 3.26Å; L725-E727 PolarHBondContact O-N 2.98Å; E727-K730 PolarHBondContact O-N 3.32Å; E727-A731 WeakPolarHBondContact O-CB 3.35Å; E727-A731 PolarHBondContact O-N 3.34Å
728	F	98.4	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-50	171.8	163.5	-95.7	0	0	0	110.9	F82 F686 L722 L725 P726 K730 A731 F732 M740	F82-F728 HydrophobicContact CB-CE2 4.47Å; F82-F728 HydrophobicContact CB-CZ 4.02Å; F82-F728 AromaticContact CD1-CE2 4Å; F82-F728 HydrophobicContact CD1-CE2 4Å; F82-F728 HydrophobicContact CD1-CZ 4.39Å; F82-F728 AromaticContact CD2-CE2 3.44Å; F82-F728 HydrophobicContact CD2-CE2 3.44Å; F82-F728 VanDerWaalsContact CD2-CE2 3.44Å; F82-F728 AromaticContact CD2-CZ 3.48Å; F82-F728 HydrophobicContact CD2-CZ 3.48Å; F82-F728 VanDerWaalsContact CD2-CZ 3.48Å; F82-F728 HydrophobicContact CE1-CE2 4.01Å; F82-F728 AromaticContact CE2-CE2 3.51Å; F82-F728 HydrophobicContact CE2-CE2 3.51Å; F82-F728 HydrophobicContact CE2-CZ 4.01Å; F82-F728 AromaticContact CG-CE2 3.69Å; F82-F728 HydrophobicContact CG-CE2 3.69Å; F82-F728 AromaticContact CG-CZ 3.69Å; F82-F728 HydrophobicContact CG-CZ 3.69Å; F82-F728 AromaticContact CZ-CE2 3.78Å; F82-F728 HydrophobicContact CZ-CE2 3.78Å; F686-F728 HydrophobicContact CB-CD2 4.01Å; F686-F728 HydrophobicContact CB-CE2 4.46Å; F686-F728 HydrophobicContact CD1-CB 4.23Å; F686-F728 HydrophobicContact CD1-CD2 4.13Å; F686-F728 HydrophobicContact CD2-CB 4.4Å; F686-F728 HydrophobicContact CD2-CD2 4.03Å; F686-F728 HydrophobicContact CE1-CB 4.02Å; F686-F728 HydrophobicContact CE2-CB 4.18Å; F686-F728 HydrophobicContact CG-CB 4.44Å; F686-F728 AromaticContact CG-CD2 3.77Å; F686-F728 HydrophobicContact CG-CD2 3.77Å; F686-F728 HydrophobicContact CZ-CB 3.99Å; L722-F728 HydrophobicContact CB-CD1 4Å; L722-F728 HydrophobicContact CB-CD2 4.37Å; L722-F728 HydrophobicContact CB-CE1 4.36Å; L722-F728 HydrophobicContact CB-CG 4.02Å; L722-F728 HydrophobicContact CD1-CD2 4.03Å; L722-F728 HydrophobicContact CD1-CE2 3.96Å; L722-F728 HydrophobicContact CD1-CZ 4.4Å; L722-F728 HydrophobicContact CD2-CB 4.05Å; L722-F728 HydrophobicContact CD2-CD2 3.89Å; L722-F728 HydrophobicContact CD2-CG 3.97Å; L722-F728 HydrophobicContact CG-CD2 4.32Å; L722-F728 HydrophobicContact CG-CG 4.38Å; L725-F728 HydrophobicContact CB-CB 4.4Å; L725-F728 WeakPolarHBondContact O-CB 3.3Å; L725-F728 PolarHBondContact O-N 3.26Å; P726-F728 VanDerWaalsContact C-N 3.28Å; P726-F728 PolarHBondContact O-N 2.89Å; F728-K730 PolarHBondContact O-N 3.01Å; F728-A731 PolarHBondContact O-N 3.07Å; F728-F732 AromaticContact CD2-CD2 3.67Å; F728-F732 HydrophobicContact CD2-CD2 3.67Å; F728-F732 AromaticContact CD2-CE2 3.9Å; F728-F732 HydrophobicContact CD2-CE2 3.9Å; F728-F732 AromaticContact CE2-CD2 3.36Å; F728-F732 HydrophobicContact CE2-CD2 3.36Å; F728-F732 AromaticContact CE2-CE2 3.61Å; F728-F732 HydrophobicContact CE2-CE2 3.61Å; F728-F732 HydrophobicContact CE2-CG 4.18Å; F728-F732 HydrophobicContact CZ-CD2 4.04Å; F728-F732 HydrophobicContact CZ-CG 4.48Å; F728-F732 PolarHBondContact O-N 3.03Å; F728-F732 VanDerWaalsContact O-N 3.1Å; F728-M740 HydrophobicContact CE1-CB 3.83Å; F728-M740 HydrophobicContact CE1-CE 4.17Å; F728-M740 HydrophobicContact CE1-CG 4.46Å; F728-M740 HydrophobicContact CZ-CE 4.41Å
729	A	97.7	Very high	96.9	Very high	16 Å²	16	51.9 Å²	51.9	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-37.5	178.7	0	0	0	0	0	111.4	P726 N733 C734 V741	P726-A729 PolarHBondContact O-N 3.36Å; A729-N733 CarbonylContact O-C 3.5Å; A729-N733 WeakPolarHBondContact O-CA 3.48Å; A729-N733 PolarHBondContact O-N 3.26Å; A729-C734 HydrophobicContact CB-CB 4.11Å; A729-C734 PolarHBondContact O-N 2.8Å; A729-V741 HydrophobicContact CB-CG2 3.85Å
730	K	98	Very high	96.8	Very high	169 Å²	169	51.1 Å²	51.1	74%	0.735	27%	0.272	S	S	*	.	H	α-helix	trans	-66.1	-44.1	173.5	-173.8	-178.8	177.7	-176.5	0	112.5	P726 E727 F728 F732 N733	P726-K730 PolarHBondContact O-N 3.5Å; E727-K730 PolarHBondContact O-N 3.32Å; F728-K730 PolarHBondContact O-N 3.01Å; K730-F732 VanDerWaalsContact C-N 3.28Å; K730-F732 PolarHBondContact O-N 3.36Å; K730-N733 PolarHBondContact O-N 2.89Å; K730-N733 PolarHBondContact O-OD1 3.12Å
731	A	98.1	Very high	96.7	Very high	16 Å²	16	52.8 Å²	52.8	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-30.3	-178.2	0	0	0	0	0	113.3	D682 Q683 F686 E727 F728	D682-A731 HydrophobicContact CB-CB 4.28Å; Q683-A731 HydrophobicContact CG-CB 4.39Å; Q683-A731 WeakPolarHBondContact CG-O 3.32Å; Q683-A731 PolarHBondContact NE2-O 3.24Å; F686-A731 HydrophobicContact CD2-CB 4Å; F686-A731 HydrophobicContact CE2-CB 3.8Å; E727-A731 WeakPolarHBondContact O-CB 3.35Å; E727-A731 PolarHBondContact O-N 3.34Å; F728-A731 PolarHBondContact O-N 3.07Å
732	F	98.1	Very high	96.3	Very high	19 Å²	19	54.2 Å²	54.2	8%	0.083	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.9	178	-72.4	-86.9	0	0	0	114.2	P78 F82 Y85 Q683 F686 F728 K730 C734	P78-F732 HydrophobicContact CB-CD1 3.66Å; P78-F732 HydrophobicContact CB-CE1 4.09Å; P78-F732 HydrophobicContact CB-CG 4.22Å; P78-F732 HydrophobicContact CG-CB 4.47Å; P78-F732 HydrophobicContact CG-CD1 3.64Å; P78-F732 HydrophobicContact CG-CE1 4.33Å; P78-F732 HydrophobicContact CG-CG 4.37Å; F82-F732 HydrophobicContact CE2-CD1 4.29Å; F82-F732 HydrophobicContact CE2-CD2 4.21Å; F82-F732 AromaticContact CE2-CE1 3.77Å; F82-F732 HydrophobicContact CE2-CE1 3.77Å; F82-F732 AromaticContact CE2-CE2 3.67Å; F82-F732 HydrophobicContact CE2-CE2 3.67Å; F82-F732 HydrophobicContact CE2-CG 4.49Å; F82-F732 AromaticContact CE2-CZ 3.42Å; F82-F732 HydrophobicContact CE2-CZ 3.42Å; F82-F732 VanDerWaalsContact CE2-CZ 3.42Å; F82-F732 HydrophobicContact CZ-CE1 4.39Å; F82-F732 AromaticContact CZ-CE2 3.82Å; F82-F732 HydrophobicContact CZ-CE2 3.82Å; F82-F732 AromaticContact CZ-CZ 3.64Å; F82-F732 HydrophobicContact CZ-CZ 3.64Å; Y85-F732 HydrophobicContact CE1-CE1 4.17Å; Q683-F732 HydrophobicContact CB-CE1 4.07Å; Q683-F732 HydrophobicContact CB-CE2 4.16Å; Q683-F732 HydrophobicContact CB-CZ 3.64Å; Q683-F732 HydrophobicContact CG-CD1 4.28Å; Q683-F732 HydrophobicContact CG-CD2 4.41Å; Q683-F732 HydrophobicContact CG-CE1 3.91Å; Q683-F732 HydrophobicContact CG-CE2 4.04Å; Q683-F732 HydrophobicContact CG-CZ 3.77Å; F686-F732 HydrophobicContact CB-CE2 3.92Å; F686-F732 HydrophobicContact CD2-CE2 4.06Å; F686-F732 HydrophobicContact CG-CE2 4.38Å; F728-F732 AromaticContact CD2-CD2 3.67Å; F728-F732 HydrophobicContact CD2-CD2 3.67Å; F728-F732 AromaticContact CD2-CE2 3.9Å; F728-F732 HydrophobicContact CD2-CE2 3.9Å; F728-F732 AromaticContact CE2-CD2 3.36Å; F728-F732 HydrophobicContact CE2-CD2 3.36Å; F728-F732 AromaticContact CE2-CE2 3.61Å; F728-F732 HydrophobicContact CE2-CE2 3.61Å; F728-F732 HydrophobicContact CE2-CG 4.18Å; F728-F732 HydrophobicContact CZ-CD2 4.04Å; F728-F732 HydrophobicContact CZ-CG 4.48Å; F728-F732 PolarHBondContact O-N 3.03Å; F728-F732 VanDerWaalsContact O-N 3.1Å; K730-F732 VanDerWaalsContact C-N 3.28Å; K730-F732 PolarHBondContact O-N 3.36Å; F732-C734 VanDerWaalsContact C-N 3.29Å; F732-C734 PolarHBondContact O-N 3.26Å
733	N	97.6	Very high	95.8	Very high	135 Å²	135	61 Å²	61	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.5	-177.4	-56.9	-56.8	0	0	0	113.4	A729 K730	A729-N733 CarbonylContact O-C 3.5Å; A729-N733 WeakPolarHBondContact O-CA 3.48Å; A729-N733 PolarHBondContact O-N 3.26Å; K730-N733 PolarHBondContact O-N 2.89Å; K730-N733 PolarHBondContact O-OD1 3.12Å
734	C	97.8	Very high	95.4	Very high	20 Å²	20	65 Å²	65	14%	0.135	35%	0.351	C	S	.	.			trans	-71.6	137.6	179.4	-58	0	0	0	0	112	C79 A729 F732 V741	C79-C734 VanDerWaalsContact CA-SG 3.53Å; C79-C734 HydrophobicContact CB-CB 3.66Å; C79-C734 WeakPolarHBondContact CB-SG 3.45Å; C79-C734 WeakPolarHBondContact SG-CA 3.45Å; C79-C734 WeakPolarHBondContact SG-CB 3.35Å; C79-C734 CovalentContact SG-SG 2.04Å; C79-C734 PolarHBondContact SG-SG 3.05Å; A729-C734 HydrophobicContact CB-CB 4.11Å; A729-C734 PolarHBondContact O-N 2.8Å; F732-C734 VanDerWaalsContact C-N 3.29Å; F732-C734 PolarHBondContact O-N 3.26Å; C734-V741 HydrophobicContact CB-CG2 3.61Å
735	N	95.3	Very high	95.3	Very high	112 Å²	112	68.9 Å²	68.9	60%	0.599	37%	0.371	S	S	*	.			trans	-74.9	155.5	175.2	-68.8	-40	0	0	0	110.6	S737 S738 V741	N735-S737 PolarHBondContact O-N 3.43Å; N735-S737 VanDerWaalsContact O-N 3.14Å; N735-S738 PolarHBondContact N-OG 3.38Å; N735-S738 VanDerWaalsContact O-CB 3.22Å; N735-S738 WeakPolarHBondContact O-CB 3.46Å; N735-S738 PolarHBondContact O-N 2.79Å; N735-S738 PolarHBondContact O-OG 2.57Å; N735-V741 WeakPolarHBondContact O-CG2 3.24Å
736	K	91.9	Very high	95.3	Very high	181 Å²	181	68.9 Å²	68.9	79%	0.787	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.9	178.1	-69.9	-173.5	176.5	-176	0	113.8
737	S	92.1	Very high	95.2	Very high	113 Å²	113	70.1 Å²	70.1	79%	0.79	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	0	178.6	60.8	0	0	0	0	114	N735	N735-S737 PolarHBondContact O-N 3.43Å; N735-S737 VanDerWaalsContact O-N 3.14Å
738	S	95.4	Very high	95.1	Very high	16 Å²	16	67.7 Å²	67.7	11%	0.112	36%	0.357	C	S	.	.	S	Bend	trans	-72.1	146	179.6	-66.8	0	0	0	0	111	C79 N735 M740 V741	C79-S738 WeakPolarHBondContact O-CB 3.45Å; N735-S738 PolarHBondContact N-OG 3.38Å; N735-S738 VanDerWaalsContact O-CB 3.22Å; N735-S738 WeakPolarHBondContact O-CB 3.46Å; N735-S738 PolarHBondContact O-N 2.79Å; N735-S738 PolarHBondContact O-OG 2.57Å; S738-M740 PolarHBondContact O-N 3.16Å; S738-M740 VanDerWaalsContact O-N 3.15Å; S738-V741 PolarHBondContact O-N 3.21Å
739	N	94.6	Very high	95	Very high	111 Å²	111	67.9 Å²	67.9	59%	0.594	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.3	-177.1	-68.8	-26.9	0	0	0	113.8	C79 D80 Q723 V741	C79-N739 PolarHBondContact O-N 3.22Å; D80-N739 WeakPolarHBondContact O-CB 3.49Å; Q723-N739 PolarHBondContact NE2-O 3.38Å; N739-V741 VanDerWaalsContact C-N 3.25Å; N739-V741 PolarHBondContact O-N 3.4Å
740	M	96.8	Very high	94.9	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.1	177.4	-65.1	-62	-53.6	0	0	113.8	P78 C79 F82 L719 L722 Q723 F728 S738	P78-M740 WeakPolarHBondContact O-CG 3.5Å; C79-M740 VanDerWaalsContact O-CB 3.25Å; C79-M740 WeakPolarHBondContact O-CB 3.49Å; C79-M740 WeakPolarHBondContact O-CG 3.49Å; C79-M740 PolarHBondContact O-N 3.17Å; F82-M740 HydrophobicContact CB-CE 3.68Å; F82-M740 HydrophobicContact CB-CG 4.35Å; F82-M740 HydrophobicContact CB-SD 4.06Å; L719-M740 HydrophobicContact CD2-CE 3.95Å; L719-M740 HydrophobicContact CD2-SD 3.4Å; L719-M740 WeakPolarHBondContact CD2-SD 3.37Å; L722-M740 HydrophobicContact CB-CE 3.72Å; L722-M740 HydrophobicContact CD1-CE 4.37Å; Q723-M740 WeakPolarHBondContact CA-O 3.4Å; Q723-M740 HydrophobicContact CG-CE 4.49Å; F728-M740 HydrophobicContact CE1-CB 3.83Å; F728-M740 HydrophobicContact CE1-CE 4.17Å; F728-M740 HydrophobicContact CE1-CG 4.46Å; F728-M740 HydrophobicContact CZ-CE 4.41Å; S738-M740 PolarHBondContact O-N 3.16Å; S738-M740 VanDerWaalsContact O-N 3.15Å
741	V	95.2	Very high	94.7	Very high	35 Å²	35	65.3 Å²	65.3	21%	0.212	35%	0.349	C	S	.	.	S	Bend	trans	-116.5	115.5	176.4	-176	0	0	0	0	108.7	A729 C734 N735 S738 N739	A729-V741 HydrophobicContact CB-CG2 3.85Å; C734-V741 HydrophobicContact CB-CG2 3.61Å; N735-V741 WeakPolarHBondContact O-CG2 3.24Å; S738-V741 PolarHBondContact O-N 3.21Å; N739-V741 VanDerWaalsContact C-N 3.25Å; N739-V741 PolarHBondContact O-N 3.4Å
742	S	90.6	Very high	94.5	Very high	30 Å²	30	68.1 Å²	68.1	21%	0.21	36%	0.362	C	S	.	.			trans	-86.4	131.2	176.7	-173.1	0	0	0	0	111.2	Q723 N744	Q723-S742 WeakPolarHBondContact O-CB 3.44Å; Q723-S742 PolarHBondContact O-N 2.89Å; S742-N744 PolarHBondContact O-N 2.52Å; S742-N744 VanDerWaalsContact OG-C 3.23Å; S742-N744 PolarHBondContact OG-N 3.36Å; S742-N744 VanDerWaalsContact OG-N 3.16Å; S742-N744 PolarHBondContact OG-O 2.73Å
743	D	87.5	Confident	94.3	Very high	145 Å²	145	70.9 Å²	70.9	78%	0.775	38%	0.378	S	S	*	.	S	Bend	trans	-65.9	-27.4	167.1	-72	-35.4	0	0	0	112.1
744	N	90.1	Very high	94.1	Very high	123 Å²	123	66.9 Å²	66.9	66%	0.658	36%	0.356	S	S	*	.	S	Bend	trans	-116.2	86.9	179.7	-66.3	-56.7	0	0	0	109	S742 C746	S742-N744 PolarHBondContact O-N 2.52Å; S742-N744 VanDerWaalsContact OG-C 3.23Å; S742-N744 PolarHBondContact OG-N 3.36Å; S742-N744 VanDerWaalsContact OG-N 3.16Å; S742-N744 PolarHBondContact OG-O 2.73Å; N744-C746 PolarHBondContact O-N 3.09Å
745	I	94.4	Very high	93.8	Very high	82 Å²	82	70.1 Å²	70.1	42%	0.421	37%	0.371	S	S	.	.			trans	-72.3	122.1	178.2	-66.1	164.9	0	0	0	109.3	N724 P726	N724-I745 HydrophobicContact CB-CG2 4.24Å; N724-I745 WeakPolarHBondContact O-CG2 3.43Å; P726-I745 HydrophobicContact CG-CD1 3.67Å
746	C	96.7	Very high	93.7	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.034	36%	0.355	C	S	.	.			trans	-84.9	128.7	170.6	-60.9	0	0	0	0	110.2	C620 F621 N724 N744	C620-C746 HydrophobicContact CB-CB 3.72Å; C620-C746 WeakPolarHBondContact CB-SG 3.48Å; C620-C746 PolarHBondContact O-SG 3.47Å; C620-C746 WeakPolarHBondContact SG-CA 3.21Å; C620-C746 WeakPolarHBondContact SG-CB 3.4Å; C620-C746 CovalentContact SG-SG 2.05Å; C620-C746 PolarHBondContact SG-SG 2.81Å; F621-C746 HydrophobicContact CD1-CB 3.45Å; F621-C746 VanDerWaalsContact CD1-CB 3.45Å; F621-C746 HydrophobicContact CD2-CB 4.46Å; F621-C746 HydrophobicContact CE1-CB 3.34Å; F621-C746 WeakPolarHBondContact CE1-O 3.37Å; F621-C746 HydrophobicContact CE2-CB 4.39Å; F621-C746 HydrophobicContact CG-CB 4.03Å; F621-C746 HydrophobicContact CZ-CB 3.85Å; F621-C746 WeakPolarHBondContact CZ-O 3.48Å; N724-C746 PolarHBondContact OD1-N 3.39Å; N744-C746 PolarHBondContact O-N 3.09Å
747	R	95.6	Very high	93.9	Very high	89 Å²	89	58.3 Å²	58.3	34%	0.336	32%	0.322	S	S	.	.			trans	-147.7	131	177.1	-174.3	176.5	178.5	-165.8	-5.7	111.1	W749	R747-W749 PolarHBondContact NE-O 3.34Å
748	V	95.8	Very high	94	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.283	C	S	.	.			trans	-113.6	-66.3	169.6	174.4	0	0	0	0	108.8	W460 F614 L617 F621	W460-V748 HydrophobicContact CH2-CG1 4.41Å; W460-V748 HydrophobicContact CZ2-CG1 4.01Å; W460-V748 WeakPolarHBondContact CZ2-O 3.27Å; W460-V748 PolarHBondContact NE1-O 3.28Å; F614-V748 HydrophobicContact CD2-CG1 3.7Å; F614-V748 HydrophobicContact CE2-CG1 3.73Å; L617-V748 HydrophobicContact CB-CG2 3.7Å; F621-V748 HydrophobicContact CD2-CG2 4.08Å; F621-V748 HydrophobicContact CE2-CB 4.18Å; F621-V748 HydrophobicContact CE2-CG2 3.63Å
749	W	95.6	Very high	93.9	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.019	30%	0.298	C	S	.	.			trans	-94.4	0	-178.3	-56.8	113.3	0	0	0	113.9	F451 L455 L458 W460 M461 T586 F589 W606 F614 A652 R747	F451-W749 HydrophobicContact CE2-CB 4.45Å; F451-W749 HydrophobicContact CE2-CD2 4.24Å; F451-W749 HydrophobicContact CE2-CE3 4.1Å; F451-W749 HydrophobicContact CE2-CG 4.37Å; F451-W749 HydrophobicContact CZ-CD2 4.46Å; F451-W749 HydrophobicContact CZ-CE3 4.03Å; F451-W749 HydrophobicContact CZ-CZ3 4.32Å; L455-W749 HydrophobicContact CD2-CE3 4.33Å; L455-W749 HydrophobicContact CD2-CZ3 4.03Å; L458-W749 HydrophobicContact CD1-CE3 3.78Å; L458-W749 HydrophobicContact CD1-CZ3 4.01Å; W460-W749 AromaticContact CH2-CH2 4Å; W460-W749 HydrophobicContact CH2-CH2 4Å; W460-W749 HydrophobicContact CH2-CZ2 4.34Å; W460-W749 HydrophobicContact CH2-CZ3 4.26Å; W460-W749 HydrophobicContact CZ2-CE3 4.38Å; W460-W749 HydrophobicContact CZ2-CH2 4.32Å; W460-W749 HydrophobicContact CZ2-CZ3 4.18Å; M461-W749 HydrophobicContact CE-CZ3 4.11Å; M461-W749 HydrophobicContact SD-CH2 4.22Å; M461-W749 HydrophobicContact SD-CZ3 4.21Å; T586-W749 HydrophobicContact CG2-CG 4.36Å; F589-W749 HydrophobicContact CB-CD2 4.28Å; F589-W749 HydrophobicContact CB-CH2 4.05Å; F589-W749 HydrophobicContact CB-CZ2 3.47Å; F589-W749 VanDerWaalsContact CB-CZ2 3.47Å; F589-W749 HydrophobicContact CD1-CH2 4.33Å; F589-W749 HydrophobicContact CG-CZ2 4.39Å; F589-W749 WeakPolarHBondContact O-CZ2 3.41Å; F589-W749 PolarHBondContact O-NE1 3.02Å; W606-W749 AromaticContact CH2-CH2 3.7Å; W606-W749 HydrophobicContact CH2-CH2 3.7Å; W606-W749 AromaticContact CH2-CZ2 3.92Å; W606-W749 HydrophobicContact CH2-CZ2 3.92Å; W606-W749 HydrophobicContact CZ2-CH2 4.39Å; W606-W749 HydrophobicContact CZ2-CZ2 4.46Å; F614-W749 HydrophobicContact CD2-CZ2 4.07Å; F614-W749 AromaticContact CE2-CZ2 3.89Å; F614-W749 HydrophobicContact CE2-CZ2 3.89Å; A652-W749 HydrophobicContact CB-CB 3.81Å; R747-W749 PolarHBondContact NE-O 3.34Å

Retrieved 749 of 749 residues in 1314.1 ms (Link to these results)

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