A0A5K4F1M4_SCHMA Loading...

Phospholipase B-like AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	29	Very low	224 Å²	224	177.4 Å²	177.4	100%	1.103	85%	0.849	S	S	*	*				0	82.4	0	-166.1	179.9	-145.2	0	0	107.9
2	F	28	Very low	28.9	Very low	218 Å²	218	169.3 Å²	169.3	96%	0.956	83%	0.825	S	S	*	*			trans	-147.5	109.7	165.8	-89	-76	0	0	0	107.2
3	F	28.9	Very low	29	Very low	157 Å²	157	168.6 Å²	168.6	69%	0.689	83%	0.828	S	S	*	*			trans	-73.2	143.8	168.9	-85.5	-95.6	0	0	0	108.9	F5	F3-F5 HydrophobicContact CD1-CD2 4.4Å; F3-F5 AromaticContact CD1-CE2 3.9Å; F3-F5 HydrophobicContact CD1-CE2 3.9Å; F3-F5 HydrophobicContact CE1-CE2 4.15Å
4	F	33.2	Very low	28.7	Very low	205 Å²	205	173.7 Å²	173.7	90%	0.899	83%	0.833	S	S	*	*				-168	143.4	109.7	-100.8	-73.5	0	0	0	111.2
5	F	29.1	Very low	28.7	Very low	156 Å²	156	174.7 Å²	174.7	68%	0.684	84%	0.837	S	S	*	*			trans	-68	150	-174.7	-76	-104.7	0	0	0	113.8	F3	F3-F5 HydrophobicContact CD1-CD2 4.4Å; F3-F5 AromaticContact CD1-CE2 3.9Å; F3-F5 HydrophobicContact CD1-CE2 3.9Å; F3-F5 HydrophobicContact CE1-CE2 4.15Å
6	N	28.8	Very low	28.4	Very low	157 Å²	157	178.2 Å²	178.2	84%	0.84	84%	0.841	S	S	*	*				178.9	137.3	92.3	-115.4	-9.3	0	0	0	112.6
7	D	25	Very low	28.2	Very low	143 Å²	143	172.1 Å²	172.1	77%	0.765	84%	0.836	S	S	*	*			trans	-70.6	144.9	171.6	-76.9	-51.8	0	0	0	112.7
8	M	26.5	Very low	27.9	Very low	191 Å²	191	169.4 Å²	169.4	94%	0.941	83%	0.831	S	S	*	*			trans	-146.9	129.7	139.7	-95	-162.4	-71.5	0	0	110.4
9	T	28.1	Very low	27.6	Very low	124 Å²	124	169.8 Å²	169.8	76%	0.761	83%	0.828	S	S	*	*			trans	-83.4	137.6	-170.6	43.7	0	0	0	0	114.3
10	Y	23.8	Very low	27.3	Very low	216 Å²	216	168.7 Å²	168.7	85%	0.847	82%	0.823	S	S	*	*			trans	55.7	118.2	138.2	-106.9	-99.4	0	0	0	121.2
11	N	29.6	Very low	27.2	Very low	160 Å²	160	170.4 Å²	170.4	86%	0.856	82%	0.822	S	S	*	*				-146.6	139.8	126.8	-131.5	-16.5	0	0	0	111.9
12	S	27.6	Very low	26.5	Very low	80 Å²	80	167.9 Å²	167.9	56%	0.559	81%	0.805	S	S	*	*			trans	-77	142.9	-167.4	54.7	0	0	0	0	114.5
13	N	29.8	Very low	26.3	Very low	161 Å²	161	160.4 Å²	160.4	86%	0.861	79%	0.789	S	S	*	*			trans	-159.9	142.4	134.6	-103.9	-28.4	0	0	0	113.7
14	R	25.4	Very low	26.1	Very low	240 Å²	240	158.3 Å²	158.3	91%	0.906	79%	0.789	S	S	*	*			trans	-48.2	129.8	-173.8	-68.5	165.2	171.6	177.1	-3.1	114.7
15	Q	27.9	Very low	25.7	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	78%	0.78	S	S	*	*			trans	-145.6	142.2	144.6	-100.9	-176.3	-5.7	0	0	110.5	G17	Q15-G17 PolarHBondContact O-N 2.9Å
16	Y	25	Very low	25.6	Very low	230 Å²	230	152.8 Å²	152.8	90%	0.902	78%	0.779	S	S	*	*			trans	-54.7	111	-175.1	-69.7	-96.6	0	0	0	112.3	V18	Y16-V18 PolarHBondContact O-N 3.17Å
17	G	23.8	Very low	25.5	Very low	74 Å²	74	150.3 Å²	150.3	76%	0.763	77%	0.77	S	S	*	*			trans	-85.6	102.8	172.9	0	0	0	0	0	111.1	Q15 K19	Q15-G17 PolarHBondContact O-N 2.9Å; G17-K19 PolarHBondContact O-N 2.84Å
18	V	23.5	Very low	25.6	Very low	124 Å²	124	151.1 Å²	151.1	75%	0.752	77%	0.767	S	S	*	*			trans	-59.3	118.1	163.8	174.6	0	0	0	0	107.9	Y16 M20	Y16-V18 PolarHBondContact O-N 3.17Å; V18-M20 HydrophobicContact CG1-CG 4.32Å; V18-M20 PolarHBondContact O-N 2.97Å
19	K	22.1	Very low	25.7	Very low	178 Å²	178	149.2 Å²	149.2	77%	0.774	76%	0.76	S	S	*	*			trans	-67.5	86.8	165.4	-82.4	-175.4	174.8	-179.4	0	108.3	G17 Y21	G17-K19 PolarHBondContact O-N 2.84Å; K19-Y21 PolarHBondContact O-N 3.18Å; K19-Y21 VanDerWaalsContact O-N 3.17Å
20	M	22.6	Very low	25.7	Very low	146 Å²	146	149.7 Å²	149.7	72%	0.719	75%	0.751	S	S	*	*			trans	-71.1	101.9	160.8	-89.9	-176	-175.1	0	0	107.7	V18 F22	V18-M20 HydrophobicContact CG1-CG 4.32Å; V18-M20 PolarHBondContact O-N 2.97Å; M20-F22 VanDerWaalsContact C-N 3.29Å; M20-F22 HydrophobicContact CB-CD2 4.39Å; M20-F22 PolarHBondContact O-N 3.35Å; M20-F22 HydrophobicContact SD-CE2 4.34Å
21	Y	23.6	Very low	25.9	Very low	205 Å²	205	146.6 Å²	146.6	80%	0.804	75%	0.746	S	S	*	*			trans	-64.6	98.1	156.9	-79.7	-93.2	0	0	0	106.9	K19 G23	K19-Y21 PolarHBondContact O-N 3.18Å; K19-Y21 VanDerWaalsContact O-N 3.17Å; Y21-G23 PolarHBondContact O-N 3.06Å
22	F	23.8	Very low	25.9	Very low	172 Å²	172	144.9 Å²	144.9	75%	0.754	74%	0.736	S	S	*	*			trans	-67	85.2	158.9	-94	-89	0	0	0	106.8	M20 V24	M20-F22 VanDerWaalsContact C-N 3.29Å; M20-F22 HydrophobicContact CB-CD2 4.39Å; M20-F22 PolarHBondContact O-N 3.35Å; M20-F22 HydrophobicContact SD-CE2 4.34Å; F22-V24 PolarHBondContact O-N 3.03Å
23	G	24.9	Very low	26	Very low	60 Å²	60	144.6 Å²	144.6	62%	0.619	73%	0.731	S	S	*	*			trans	-61.1	97.6	153.2	0	0	0	0	0	106.1	Y21 V25	Y21-G23 PolarHBondContact O-N 3.06Å; G23-V25 PolarHBondContact O-N 3.08Å
24	V	24.4	Very low	26.2	Very low	114 Å²	114	142 Å²	142	69%	0.691	71%	0.714	S	S	*	*			trans	-68.1	84	165.9	-179.7	0	0	0	0	105.6	F22 I26	F22-V24 PolarHBondContact O-N 3.03Å; V24-I26 VanDerWaalsContact C-N 3.32Å; V24-I26 HydrophobicContact CG1-CG1 3.87Å; V24-I26 PolarHBondContact O-N 2.8Å; V24-I26 VanDerWaalsContact O-N 3.12Å
25	V	24.3	Very low	26.8	Very low	116 Å²	116	134 Å²	134	70%	0.703	69%	0.688	S	S	*	*			trans	-69.9	101.5	160.2	-177.6	0	0	0	0	104	G23 T27	G23-V25 PolarHBondContact O-N 3.08Å; V25-T27 HydrophobicContact CG1-CG2 3.85Å; V25-T27 PolarHBondContact O-N 2.8Å
26	I	27.5	Very low	27.2	Very low	129 Å²	129	134.3 Å²	134.3	66%	0.662	68%	0.683	S	S	*	*			trans	-67.5	80.4	165.3	-58.8	178.3	0	0	0	105.3	V24 F28	V24-I26 VanDerWaalsContact C-N 3.32Å; V24-I26 HydrophobicContact CG1-CG1 3.87Å; V24-I26 PolarHBondContact O-N 2.8Å; V24-I26 VanDerWaalsContact O-N 3.12Å; I26-F28 HydrophobicContact CG2-CD2 4.08Å; I26-F28 HydrophobicContact CG2-CE2 4.12Å; I26-F28 PolarHBondContact O-N 3.5Å; I26-F28 VanDerWaalsContact O-N 3.13Å
27	T	25.2	Very low	27.9	Very low	105 Å²	105	124.8 Å²	124.8	64%	0.644	66%	0.655	S	S	*	*			trans	-67.3	104	159.4	40.9	0	0	0	0	105.4	V25 L29	V25-T27 HydrophobicContact CG1-CG2 3.85Å; V25-T27 PolarHBondContact O-N 2.8Å; T27-L29 PolarHBondContact O-N 3.29Å
28	F	28.7	Very low	29.4	Very low	160 Å²	160	130.1 Å²	130.1	70%	0.702	66%	0.66	S	S	*	*			trans	-56.7	99.6	159.5	-89.2	-92.2	0	0	0	106.4	I26 F30	I26-F28 HydrophobicContact CG2-CD2 4.08Å; I26-F28 HydrophobicContact CG2-CE2 4.12Å; I26-F28 PolarHBondContact O-N 3.5Å; I26-F28 VanDerWaalsContact O-N 3.13Å; F28-F30 HydrophobicContact CB-CD2 3.76Å; F28-F30 HydrophobicContact CB-CE2 3.5Å; F28-F30 VanDerWaalsContact CB-CE2 3.5Å; F28-F30 HydrophobicContact CB-CZ 4.25Å; F28-F30 HydrophobicContact CD1-CE2 4.33Å; F28-F30 HydrophobicContact CD1-CZ 4.25Å; F28-F30 HydrophobicContact CG-CE2 4.1Å; F28-F30 HydrophobicContact CG-CZ 4.43Å; F28-F30 PolarHBondContact O-N 3.19Å
29	L	27.1	Very low	31.4	Very low	151 Å²	151	128.8 Å²	128.8	79%	0.791	66%	0.656	S	S	*	*			trans	-70	83.4	166.1	-149.7	95.6	0	0	0	105.2	T27 M31	T27-L29 PolarHBondContact O-N 3.29Å; L29-M31 PolarHBondContact O-N 3.17Å; L29-M31 VanDerWaalsContact O-N 3.16Å
30	F	29.3	Very low	34	Very low	133 Å²	133	120.9 Å²	120.9	58%	0.583	62%	0.623	S	S	*	*			trans	-62.5	115.1	164.4	-76.5	-80.8	0	0	0	105.6	F28 L32 E602	F28-F30 HydrophobicContact CB-CD2 3.76Å; F28-F30 HydrophobicContact CB-CE2 3.5Å; F28-F30 VanDerWaalsContact CB-CE2 3.5Å; F28-F30 HydrophobicContact CB-CZ 4.25Å; F28-F30 HydrophobicContact CD1-CE2 4.33Å; F28-F30 HydrophobicContact CD1-CZ 4.25Å; F28-F30 HydrophobicContact CG-CE2 4.1Å; F28-F30 HydrophobicContact CG-CZ 4.43Å; F28-F30 PolarHBondContact O-N 3.19Å; F30-L32 PolarHBondContact O-N 2.88Å; F30-E602 HydrophobicContact CB-CG 4.39Å; F30-E602 VanDerWaalsContact O-OE1 3.12Å
31	M	27.6	Very low	37.1	Very low	152 Å²	152	117.3 Å²	117.3	75%	0.749	61%	0.612	S	S	*	*			trans	-68.1	123.4	173.9	-92.4	-143.6	-76.8	0	0	108.1	L29 V33 E602	L29-M31 PolarHBondContact O-N 3.17Å; L29-M31 VanDerWaalsContact O-N 3.16Å; M31-V33 HydrophobicContact CB-CG2 4.07Å; M31-V33 PolarHBondContact O-N 3.33Å; M31-E602 VanDerWaalsContact C-OE1 3.25Å
32	L	29.1	Very low	40.2	Very low	123 Å²	123	107.9 Å²	107.9	64%	0.644	58%	0.576	S	S	*	*			trans	-58	87.1	160.2	-83.9	167.6	0	0	0	108.1	F30 E602	F30-L32 PolarHBondContact O-N 2.88Å; L32-E602 WeakPolarHBondContact CA-OE1 3.15Å; L32-E602 HydrophobicContact CD2-CG 4.27Å; L32-E602 WeakPolarHBondContact CD2-OE1 3.41Å; L32-E602 WeakPolarHBondContact CD2-OE2 3.34Å; L32-E602 WeakPolarHBondContact CG-OE1 3.12Å; L32-E602 WeakPolarHBondContact CG-OE2 3.28Å; L32-E602 PolarHBondContact N-OE1 2.93Å
33	V	31	Very low	43.4	Very low	75 Å²	75	99.7 Å²	99.7	46%	0.455	54%	0.54	S	S	.	.			trans	-99.8	84.1	160.2	-163.4	0	0	0	0	105.7	M31 I35	M31-V33 HydrophobicContact CB-CG2 4.07Å; M31-V33 PolarHBondContact O-N 3.33Å; V33-I35 HydrophobicContact CB-CG1 4.17Å; V33-I35 HydrophobicContact CG1-CB 4.39Å; V33-I35 HydrophobicContact CG1-CD1 4.5Å; V33-I35 HydrophobicContact CG1-CG1 3.43Å; V33-I35 VanDerWaalsContact CG1-CG1 3.43Å; V33-I35 PolarHBondContact O-N 3.06Å
34	E	34.2	Very low	46.6	Very low	106 Å²	106	96.9 Å²	96.9	50%	0.495	51%	0.51	S	S	.	.			trans	-62.1	93.9	147.6	-82.8	-167.2	152.5	0	0	105.6	Y36	E34-Y36 HydrophobicContact CB-CD2 4.29Å; E34-Y36 HydrophobicContact CB-CE2 4.2Å; E34-Y36 PolarHBondContact O-N 3.49Å
35	I	37.9	Very low	50	Low	71 Å²	71	91.4 Å²	91.4	36%	0.364	48%	0.477	S	S	.	.			trans	-67.5	87.5	171.1	-55.3	171	0	0	0	105.1	V33 G37 K80 T84	V33-I35 HydrophobicContact CB-CG1 4.17Å; V33-I35 HydrophobicContact CG1-CB 4.39Å; V33-I35 HydrophobicContact CG1-CD1 4.5Å; V33-I35 HydrophobicContact CG1-CG1 3.43Å; V33-I35 VanDerWaalsContact CG1-CG1 3.43Å; V33-I35 PolarHBondContact O-N 3.06Å; I35-G37 PolarHBondContact O-N 3.02Å; I35-K80 PolarHBondContact O-NZ 2.92Å; I35-T84 HydrophobicContact CD1-CG2 4.49Å
36	Y	34.8	Very low	53.3	Low	197 Å²	197	86.4 Å²	86.4	77%	0.773	45%	0.447	S	S	*	.			trans	-60.2	77.6	154.9	-76.7	-83.7	0	0	0	106.6	E34	E34-Y36 HydrophobicContact CB-CD2 4.29Å; E34-Y36 HydrophobicContact CB-CE2 4.2Å; E34-Y36 PolarHBondContact O-N 3.49Å
37	G	40.4	Very low	56.4	Low	30 Å²	30	80.6 Å²	80.6	31%	0.309	42%	0.419	S	S	.	.			trans	-73	157.5	173.1	0	0	0	0	0	108.8	I35 S39	I35-G37 PolarHBondContact O-N 3.02Å; G37-S39 PolarHBondContact O-N 3.18Å
38	E	54.6	Low	59.7	Low	185 Å²	185	82.2 Å²	82.2	86%	0.864	42%	0.417	S	S	*	.	S	Bend	trans	-41.1	133.2	169.5	-69.2	178	151.5	0	0	110.2
39	S	65.6	Low	62.6	Low	97 Å²	97	82.3 Å²	82.3	68%	0.678	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-48.3	140.2	178.5	-58.8	0	0	0	0	110	G37 S41	G37-S39 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact O-N 2.72Å
40	P	76.7	Confident	65.5	Low	12 Å²	12	79.2 Å²	79.2	8%	0.078	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-56.1	141.6	-178.2	24	-33.7	0	0	0	110.2	I42 F77	P40-I42 HydrophobicContact CB-CG1 4.48Å; P40-I42 HydrophobicContact CG-CD1 4.25Å; P40-I42 HydrophobicContact CG-CG1 4.32Å; P40-I42 WeakPolarHBondContact O-CG1 3.47Å; P40-I42 PolarHBondContact O-N 2.76Å; P40-F77 CarbonylContact C-O 3.48Å; P40-F77 WeakPolarHBondContact CA-O 3.44Å
41	S	87.8	Confident	67.9	Low	71 Å²	71	81.5 Å²	81.5	50%	0.497	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.7	169.6	-70.2	0	0	0	0	108.2	S39 A76 F77	S39-S41 PolarHBondContact O-N 2.72Å; S41-A76 WeakPolarHBondContact O-CA 2.94Å; S41-F77 PolarHBondContact N-O 2.77Å; S41-F77 PolarHBondContact O-N 2.9Å
42	I	88.7	Confident	70.7	Confident	7 Å²	7	80.5 Å²	80.5	4%	0.036	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.7	-176.6	-59.1	151.1	0	0	0	108.9	P40 T60 L61 E64 I74 A75 A76 I594	P40-I42 HydrophobicContact CB-CG1 4.48Å; P40-I42 HydrophobicContact CG-CD1 4.25Å; P40-I42 HydrophobicContact CG-CG1 4.32Å; P40-I42 WeakPolarHBondContact O-CG1 3.47Å; P40-I42 PolarHBondContact O-N 2.76Å; I42-T60 WeakPolarHBondContact O-CA 3.42Å; I42-L61 HydrophobicContact CB-CB 4.13Å; I42-L61 HydrophobicContact CG2-CB 4.03Å; I42-L61 HydrophobicContact CG2-CD1 3.78Å; I42-L61 HydrophobicContact CG2-CG 4.23Å; I42-L61 PolarHBondContact O-N 3.32Å; I42-E64 HydrophobicContact CD1-CG 4.25Å; I42-I74 HydrophobicContact CG2-CD1 4.05Å; I42-I74 HydrophobicContact CG2-CG1 4.19Å; I42-A75 WeakPolarHBondContact CA-O 3.03Å; I42-A76 HydrophobicContact CG1-CB 4.05Å; I42-I594 HydrophobicContact CD1-CB 4.18Å; I42-I594 HydrophobicContact CD1-CG2 3.44Å; I42-I594 VanDerWaalsContact CD1-CG2 3.44Å; I42-I594 HydrophobicContact CG1-CG2 3.69Å; I42-I594 HydrophobicContact CG2-CG2 4.1Å
43	A	92	Very high	73.6	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.9	173.9	0	0	0	0	0	111.6	Y58 M59 I74 A75 L109 L113	A43-Y58 HydrophobicContact CB-CE2 3.68Å; A43-Y58 VanDerWaalsContact CB-OH 3.29Å; A43-Y58 WeakPolarHBondContact CB-OH 3.34Å; A43-M59 CarbonylContact C-O 3.31Å; A43-M59 VanDerWaalsContact CA-O 3.26Å; A43-M59 WeakPolarHBondContact CA-O 3.24Å; A43-I74 CarbonylContact O-C 2.9Å; A43-I74 WeakPolarHBondContact O-CA 3.4Å; A43-I74 WeakPolarHBondContact O-CG1 3.33Å; A43-A75 PolarHBondContact N-O 3.14Å; A43-A75 PolarHBondContact O-N 2.74Å; A43-L109 HydrophobicContact CB-CD2 4.06Å; A43-L113 HydrophobicContact CB-CD1 4.15Å; A43-L113 HydrophobicContact CB-CD2 3.75Å; A43-L113 HydrophobicContact CB-CG 4.07Å
44	L	92.6	Very high	76.7	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158	178.8	77	91.9	0	0	0	112.5	M59 L61 F66 M71 A73 I74	L44-M59 HydrophobicContact CD1-CE 3.26Å; L44-M59 HydrophobicContact CD2-CE 4.33Å; L44-M59 HydrophobicContact CG-CB 4.35Å; L44-M59 HydrophobicContact CG-CE 3.98Å; L44-M59 PolarHBondContact N-O 2.76Å; L44-M59 PolarHBondContact O-N 3.17Å; L44-L61 HydrophobicContact CD2-CD1 3.67Å; L44-L61 HydrophobicContact CD2-CD2 3.97Å; L44-L61 HydrophobicContact CD2-CG 3.91Å; L44-F66 HydrophobicContact CD1-CE1 3.85Å; L44-F66 HydrophobicContact CD1-CZ 4.11Å; L44-F66 HydrophobicContact CD2-CD1 3.41Å; L44-F66 VanDerWaalsContact CD2-CD1 3.41Å; L44-F66 HydrophobicContact CD2-CD2 4.25Å; L44-F66 HydrophobicContact CD2-CE1 3.17Å; L44-F66 HydrophobicContact CD2-CE2 4.13Å; L44-F66 HydrophobicContact CD2-CG 3.91Å; L44-F66 HydrophobicContact CD2-CZ 3.57Å; L44-F66 HydrophobicContact CG-CE1 4.14Å; L44-F66 HydrophobicContact CG-CZ 4.45Å; L44-M71 HydrophobicContact CB-CG 4.46Å; L44-M71 HydrophobicContact CD1-CG 4.36Å; L44-A73 CarbonylContact C-O 3.51Å; L44-A73 VanDerWaalsContact CA-O 3.27Å; L44-A73 WeakPolarHBondContact CA-O 3.13Å; L44-A73 WeakPolarHBondContact CB-O 3.43Å; L44-I74 HydrophobicContact CB-CB 4.05Å; L44-I74 HydrophobicContact CB-CD1 4.47Å; L44-I74 HydrophobicContact CB-CG1 4.04Å
45	I	95.3	Very high	79.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.8	168.2	-58.7	-63.3	0	0	0	107.9	F56 H57 Y58 V72 A73 W105 L109 F187	I45-F56 HydrophobicContact CG2-CB 4.04Å; I45-F56 HydrophobicContact CG2-CD1 4.01Å; I45-F56 HydrophobicContact CG2-CG 4.34Å; I45-H57 WeakPolarHBondContact CA-O 3.29Å; I45-Y58 HydrophobicContact CD1-CD2 3.88Å; I45-Y58 HydrophobicContact CD1-CG 4.46Å; I45-V72 HydrophobicContact CB-CB 4.38Å; I45-V72 HydrophobicContact CG2-CB 4.14Å; I45-V72 HydrophobicContact CG2-CG2 4.15Å; I45-V72 PolarHBondContact O-N 3.49Å; I45-A73 PolarHBondContact N-O 3Å; I45-A73 PolarHBondContact O-N 3.03Å; I45-W105 HydrophobicContact CB-CB 4.29Å; I45-W105 HydrophobicContact CB-CD2 4.17Å; I45-W105 HydrophobicContact CB-CE3 4.34Å; I45-W105 HydrophobicContact CB-CG 4.15Å; I45-W105 HydrophobicContact CD1-CD2 4.08Å; I45-W105 HydrophobicContact CD1-CE3 3.41Å; I45-W105 VanDerWaalsContact CD1-CE3 3.41Å; I45-W105 HydrophobicContact CD1-CH2 4.35Å; I45-W105 HydrophobicContact CD1-CZ3 3.57Å; I45-W105 HydrophobicContact CG1-CB 4.02Å; I45-W105 HydrophobicContact CG1-CD2 3.71Å; I45-W105 HydrophobicContact CG1-CE3 3.42Å; I45-W105 VanDerWaalsContact CG1-CE3 3.42Å; I45-W105 HydrophobicContact CG1-CG 3.99Å; I45-W105 HydrophobicContact CG1-CZ3 4.13Å; I45-W105 HydrophobicContact CG2-CB 4.44Å; I45-W105 HydrophobicContact CG2-CD2 3.66Å; I45-W105 HydrophobicContact CG2-CE3 4.13Å; I45-W105 HydrophobicContact CG2-CG 3.79Å; I45-W105 HydrophobicContact CG2-CZ2 4.43Å; I45-L109 HydrophobicContact CD1-CD2 4.04Å; I45-L109 HydrophobicContact CD1-CG 4.44Å; I45-L109 HydrophobicContact CG1-CD1 4.01Å; I45-L109 HydrophobicContact CG1-CD2 3.87Å; I45-L109 HydrophobicContact CG1-CG 3.81Å; I45-F187 HydrophobicContact CD1-CE2 4Å; I45-F187 HydrophobicContact CD1-CZ 4.49Å
46	S	93.1	Very high	82.4	Confident	10 Å²	10	70.1 Å²	70.1	7%	0.07	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154.2	169.3	65.2	0	0	0	0	110.2	F56 H57 M59 S70	S46-F56 CarbonylContact O-C 3.58Å; S46-F56 WeakPolarHBondContact O-CA 3.21Å; S46-H57 PolarHBondContact N-O 3.07Å; S46-H57 PolarHBondContact O-N 3.44Å; S46-M59 WeakPolarHBondContact OG-CE 3.39Å; S46-S70 CarbonylContact C-O 3.54Å; S46-S70 WeakPolarHBondContact CA-O 3.4Å
47	A	93.8	Very high	85.3	Confident	7 Å²	7	64.9 Å²	64.9	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.4	174	0	0	0	0	0	111.3	L54 Y55 F56 S70 V72 F97	A47-L54 HydrophobicContact CB-CD1 3.78Å; A47-L54 HydrophobicContact CB-CD2 4.21Å; A47-L54 HydrophobicContact CB-CG 4.01Å; A47-Y55 CarbonylContact C-O 3.6Å; A47-Y55 VanDerWaalsContact CA-O 3.22Å; A47-Y55 WeakPolarHBondContact CA-O 3.49Å; A47-F56 HydrophobicContact CB-CD1 3.96Å; A47-F56 HydrophobicContact CB-CE1 4.07Å; A47-S70 PolarHBondContact N-O 3.38Å; A47-S70 WeakPolarHBondContact O-CB 3.28Å; A47-V72 HydrophobicContact CB-CG2 3.71Å; A47-F97 HydrophobicContact CB-CD1 4.4Å; A47-F97 HydrophobicContact CB-CE1 3.41Å; A47-F97 VanDerWaalsContact CB-CE1 3.41Å; A47-F97 HydrophobicContact CB-CZ 3.64Å
48	K	92.6	Very high	87.9	Confident	139 Å²	139	67 Å²	67	60%	0.604	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.8	176.6	-174.6	175.6	-179.9	178	0	110.1	Y55	K48-Y55 PolarHBondContact N-O 3.43Å; K48-Y55 PolarHBondContact O-N 3.43Å
49	E	90.3	Very high	89.6	Confident	162 Å²	162	61 Å²	61	76%	0.757	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.7	171.3	-75.3	-173.8	159.4	0	0	111.2	H53 L54	E49-H53 WeakPolarHBondContact CA-O 3.44Å; E49-L54 HydrophobicContact CG-CD1 3.75Å
50	N	88.5	Confident	90.7	Very high	86 Å²	86	60.7 Å²	60.7	46%	0.46	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	124.5	172.5	-176.5	7.6	0	0	0	109.5	S52 H53 Y55	N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.3Å; N50-H53 PolarHBondContact N-O 2.95Å; N50-H53 PolarHBondContact O-N 2.79Å; N50-Y55 HydrophobicContact CB-CD2 3.81Å; N50-Y55 HydrophobicContact CB-CE2 3.81Å
51	K	79.2	Confident	90.9	Very high	182 Å²	182	61.5 Å²	61.5	79%	0.791	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	52.1	176.5	-66	174.4	-176.2	-176.2	0	113.4	H53	K51-H53 PolarHBondContact O-CD2 2.75Å; K51-H53 PolarHBondContact O-N 3.24Å
52	S	86.3	Confident	90	Very high	130 Å²	130	65.8 Å²	65.8	91%	0.909	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	6.6	179.3	-46.2	0	0	0	0	116.4	N50	N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.3Å
53	H	91.1	Very high	88.7	Confident	62 Å²	62	72.9 Å²	72.9	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.5	173.5	-62.9	-71.2	0	0	0	110.6	E49 N50 K51 Y55 R190 D192	E49-H53 WeakPolarHBondContact CA-O 3.44Å; N50-H53 PolarHBondContact N-O 2.95Å; N50-H53 PolarHBondContact O-N 2.79Å; K51-H53 PolarHBondContact O-CD2 2.75Å; K51-H53 PolarHBondContact O-N 3.24Å; H53-Y55 HydrophobicContact CB-CD2 4.17Å; H53-Y55 HydrophobicContact CB-CE2 3.57Å; H53-R190 PolarHBondContact CE1-NH2 2.91Å; H53-R190 PolarHBondContact ND1-NH2 3.38Å; H53-D192 IonicContact ND1-OD1 2.72Å
54	L	94.7	Very high	87.1	Confident	39 Å²	39	74.6 Å²	74.6	20%	0.204	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.4	170.3	-171.4	72.4	0	0	0	108.7	A47 E49 F56 F97 L101 A191	A47-L54 HydrophobicContact CB-CD1 3.78Å; A47-L54 HydrophobicContact CB-CD2 4.21Å; A47-L54 HydrophobicContact CB-CG 4.01Å; E49-L54 HydrophobicContact CG-CD1 3.75Å; L54-F56 HydrophobicContact CD2-CE1 4.13Å; L54-F56 HydrophobicContact CD2-CZ 4.27Å; L54-F97 HydrophobicContact CD2-CD1 4.27Å; L54-F97 HydrophobicContact CD2-CE1 4.18Å; L54-L101 HydrophobicContact CD2-CD1 4.34Å; L54-A191 HydrophobicContact CB-CB 3.84Å; L54-A191 HydrophobicContact CD2-CB 4.15Å; L54-A191 HydrophobicContact CG-CB 4.39Å; L54-A191 PolarHBondContact O-N 3.35Å
55	Y	96	Very high	85.3	Confident	54 Å²	54	79.4 Å²	79.4	21%	0.212	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145	178.4	-70	-93.3	0	0	0	111.2	A47 K48 N50 H53 D189 R190	A47-Y55 CarbonylContact C-O 3.6Å; A47-Y55 VanDerWaalsContact CA-O 3.22Å; A47-Y55 WeakPolarHBondContact CA-O 3.49Å; K48-Y55 PolarHBondContact N-O 3.43Å; K48-Y55 PolarHBondContact O-N 3.43Å; N50-Y55 HydrophobicContact CB-CD2 3.81Å; N50-Y55 HydrophobicContact CB-CE2 3.81Å; H53-Y55 HydrophobicContact CB-CD2 4.17Å; H53-Y55 HydrophobicContact CB-CE2 3.57Å; Y55-D189 CarbonylContact C-O 3.47Å; Y55-D189 WeakPolarHBondContact CA-O 3.48Å; Y55-R190 HydrophobicContact CD1-CG 3.63Å; Y55-R190 HydrophobicContact CE1-CG 3.37Å
56	F	96.4	Very high	83.7	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.009	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.6	177	-56.8	-67.8	0	0	0	111.9	I45 S46 A47 L54 V72 L101 W105 F187 D189 A191 L194	I45-F56 HydrophobicContact CG2-CB 4.04Å; I45-F56 HydrophobicContact CG2-CD1 4.01Å; I45-F56 HydrophobicContact CG2-CG 4.34Å; S46-F56 CarbonylContact O-C 3.58Å; S46-F56 WeakPolarHBondContact O-CA 3.21Å; A47-F56 HydrophobicContact CB-CD1 3.96Å; A47-F56 HydrophobicContact CB-CE1 4.07Å; L54-F56 HydrophobicContact CD2-CE1 4.13Å; L54-F56 HydrophobicContact CD2-CZ 4.27Å; F56-V72 HydrophobicContact CD1-CG2 4.05Å; F56-V72 HydrophobicContact CE1-CG2 3.96Å; F56-L101 HydrophobicContact CE1-CD1 4.45Å; F56-L101 HydrophobicContact CE2-CD2 4.32Å; F56-L101 HydrophobicContact CZ-CD1 3.86Å; F56-L101 HydrophobicContact CZ-CD2 3.84Å; F56-L101 HydrophobicContact CZ-CG 4.29Å; F56-W105 HydrophobicContact CB-CH2 4.17Å; F56-W105 HydrophobicContact CB-CZ2 3.44Å; F56-W105 VanDerWaalsContact CB-CZ2 3.44Å; F56-W105 AromaticContact CD1-CE2 3.99Å; F56-W105 HydrophobicContact CD1-CZ2 4.3Å; F56-W105 AromaticContact CD1-NE1 3.36Å; F56-W105 AromaticContact CD2-CE2 3.67Å; F56-W105 AromaticContact CD2-CZ2 3.35Å; F56-W105 HydrophobicContact CD2-CZ2 3.35Å; F56-W105 AromaticContact CD2-NE1 3.42Å; F56-W105 AromaticContact CE1-NE1 3.41Å; F56-W105 HydrophobicContact CE2-CZ2 4.08Å; F56-W105 AromaticContact CE2-NE1 3.39Å; F56-W105 AromaticContact CG-CE2 3.59Å; F56-W105 AromaticContact CG-CZ2 3.45Å; F56-W105 HydrophobicContact CG-CZ2 3.45Å; F56-W105 VanDerWaalsContact CG-CZ2 3.45Å; F56-W105 AromaticContact CG-NE1 3.37Å; F56-W105 AromaticContact CZ-NE1 3.41Å; F56-F187 HydrophobicContact CB-CZ 4.22Å; F56-D189 PolarHBondContact N-O 3.13Å; F56-A191 HydrophobicContact CE2-CB 3.73Å; F56-A191 HydrophobicContact CZ-CB 3.72Å; F56-L194 HydrophobicContact CE2-CD1 3.88Å
57	H	94.9	Very high	82.1	Confident	88 Å²	88	92 Å²	92	41%	0.407	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.9	177.2	-57.9	-73.5	0	0	0	110.4	I45 S46	I45-H57 WeakPolarHBondContact CA-O 3.29Å; S46-H57 PolarHBondContact N-O 3.07Å; S46-H57 PolarHBondContact O-N 3.44Å
58	Y	94.7	Very high	80.6	Confident	73 Å²	73	94.8 Å²	94.8	29%	0.286	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.9	170	179.1	-91.3	0	0	0	110.4	A43 I45 T60 F108 L109 N112	A43-Y58 HydrophobicContact CB-CE2 3.68Å; A43-Y58 VanDerWaalsContact CB-OH 3.29Å; A43-Y58 WeakPolarHBondContact CB-OH 3.34Å; I45-Y58 HydrophobicContact CD1-CD2 3.88Å; I45-Y58 HydrophobicContact CD1-CG 4.46Å; Y58-T60 HydrophobicContact CE1-CG2 3.7Å; Y58-F108 HydrophobicContact CD2-CE1 4.27Å; Y58-L109 HydrophobicContact CD2-CD2 3.86Å; Y58-L109 HydrophobicContact CE2-CD2 3.63Å; Y58-N112 VanDerWaalsContact CE2-ND2 3.3Å; Y58-N112 WeakPolarHBondContact CE2-ND2 3.21Å; Y58-N112 PolarHBondContact OH-ND2 3.42Å
59	M	91.2	Very high	79.3	Confident	60 Å²	60	93.3 Å²	93.3	30%	0.296	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133	177.7	-63	-179.3	-63.9	0	0	109.9	A43 L44 S46 F66	A43-M59 CarbonylContact C-O 3.31Å; A43-M59 VanDerWaalsContact CA-O 3.26Å; A43-M59 WeakPolarHBondContact CA-O 3.24Å; L44-M59 HydrophobicContact CD1-CE 3.26Å; L44-M59 HydrophobicContact CD2-CE 4.33Å; L44-M59 HydrophobicContact CG-CB 4.35Å; L44-M59 HydrophobicContact CG-CE 3.98Å; L44-M59 PolarHBondContact N-O 2.76Å; L44-M59 PolarHBondContact O-N 3.17Å; S46-M59 WeakPolarHBondContact OG-CE 3.39Å; M59-F66 HydrophobicContact CE-CE1 4.49Å; M59-F66 HydrophobicContact CE-CE2 4.37Å; M59-F66 HydrophobicContact CE-CZ 3.67Å
60	T	88.4	Confident	79.1	Confident	91 Å²	91	87.6 Å²	87.6	56%	0.558	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.2	165.5	49.1	0	0	0	0	109.2	I42 Y58	I42-T60 WeakPolarHBondContact O-CA 3.42Å; Y58-T60 HydrophobicContact CE1-CG2 3.7Å
61	L	82	Confident	79.2	Confident	29 Å²	29	84.9 Å²	84.9	15%	0.152	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.4	177.6	-63	-178.2	0	0	0	110.2	I42 L44 K63 F66 I74 I594	I42-L61 HydrophobicContact CB-CB 4.13Å; I42-L61 HydrophobicContact CG2-CB 4.03Å; I42-L61 HydrophobicContact CG2-CD1 3.78Å; I42-L61 HydrophobicContact CG2-CG 4.23Å; I42-L61 PolarHBondContact O-N 3.32Å; L44-L61 HydrophobicContact CD2-CD1 3.67Å; L44-L61 HydrophobicContact CD2-CD2 3.97Å; L44-L61 HydrophobicContact CD2-CG 3.91Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-F66 HydrophobicContact CD1-CB 3.7Å; L61-F66 HydrophobicContact CD1-CD2 4.42Å; L61-F66 HydrophobicContact CD1-CG 4.08Å; L61-F66 HydrophobicContact CD2-CB 4.45Å; L61-F66 HydrophobicContact CD2-CD2 3.73Å; L61-F66 HydrophobicContact CD2-CE2 4.14Å; L61-F66 HydrophobicContact CD2-CG 4.22Å; L61-I74 HydrophobicContact CD1-CD1 4.42Å; L61-I594 HydrophobicContact CD1-CD1 4.46Å
62	D	67.8	Low	80	Confident	160 Å²	160	76.2 Å²	76.2	86%	0.856	40%	0.402	S	S	*	.	S	Bend	trans	-82.1	-11.2	174.9	-58.2	-27.8	0	0	0	112.4
63	K	61.5	Low	80.3	Confident	157 Å²	157	70 Å²	70	68%	0.683	36%	0.359	S	S	*	.	S	Bend	trans	-138.8	151.4	-177.4	-67.7	-173.4	-179.8	-180	0	112.3	L61 T65	L61-K63 VanDerWaalsContact C-N 3.3Å; K63-T65 PolarHBondContact O-N 3.42Å
64	E	57.8	Low	80.4	Confident	35 Å²	35	67.5 Å²	67.5	16%	0.164	35%	0.348	C	S	.	.	S	Bend	trans	-69.8	15.9	-179.6	-63.9	-169.1	-178.1	0	0	114.9	I42 I594 R597	I42-E64 HydrophobicContact CD1-CG 4.25Å; E64-I594 VanDerWaalsContact C-CD1 3.42Å; E64-I594 HydrophobicContact CB-CB 3.81Å; E64-I594 HydrophobicContact CB-CG1 4.46Å; E64-I594 HydrophobicContact CG-CB 4.22Å; E64-I594 WeakPolarHBondContact CG-O 3.43Å; E64-I594 WeakPolarHBondContact O-CD1 2.93Å; E64-I594 WeakPolarHBondContact O-CG1 3.34Å; E64-I594 PolarHBondContact O-N 3.01Å; E64-R597 IonicContact OE1-NH2 3.61Å; E64-R597 PolarHBondContact OE1-NH2 2.8Å; E64-R597 IonicContact OE2-NH2 3.44Å
65	T	55.6	Low	80.3	Confident	102 Å²	102	65.7 Å²	65.7	63%	0.626	34%	0.339	S	S	*	.			trans	-136.8	121.7	-178.2	48.2	0	0	0	0	110.6	K63	K63-T65 PolarHBondContact O-N 3.42Å
66	F	62.1	Low	80.1	Confident	72 Å²	72	63.2 Å²	63.2	32%	0.316	33%	0.329	S	S	.	.			trans	-136.4	128.7	176.6	-175.2	-116.6	0	0	0	110.6	L44 M59 L61 N68	L44-F66 HydrophobicContact CD1-CE1 3.85Å; L44-F66 HydrophobicContact CD1-CZ 4.11Å; L44-F66 HydrophobicContact CD2-CD1 3.41Å; L44-F66 VanDerWaalsContact CD2-CD1 3.41Å; L44-F66 HydrophobicContact CD2-CD2 4.25Å; L44-F66 HydrophobicContact CD2-CE1 3.17Å; L44-F66 HydrophobicContact CD2-CE2 4.13Å; L44-F66 HydrophobicContact CD2-CG 3.91Å; L44-F66 HydrophobicContact CD2-CZ 3.57Å; L44-F66 HydrophobicContact CG-CE1 4.14Å; L44-F66 HydrophobicContact CG-CZ 4.45Å; M59-F66 HydrophobicContact CE-CE1 4.49Å; M59-F66 HydrophobicContact CE-CE2 4.37Å; M59-F66 HydrophobicContact CE-CZ 3.67Å; L61-F66 HydrophobicContact CD1-CB 3.7Å; L61-F66 HydrophobicContact CD1-CD2 4.42Å; L61-F66 HydrophobicContact CD1-CG 4.08Å; L61-F66 HydrophobicContact CD2-CB 4.45Å; L61-F66 HydrophobicContact CD2-CD2 3.73Å; L61-F66 HydrophobicContact CD2-CE2 4.14Å; L61-F66 HydrophobicContact CD2-CG 4.22Å; F66-N68 HydrophobicContact CD1-CB 3.7Å; F66-N68 HydrophobicContact CE1-CB 2.98Å; F66-N68 HydrophobicContact CE2-CB 4.07Å; F66-N68 HydrophobicContact CZ-CB 3.21Å; F66-N68 VanDerWaalsContact CZ-ND2 3.34Å; F66-N68 WeakPolarHBondContact CZ-ND2 3.48Å
67	Q	58.4	Low	79.9	Confident	201 Å²	201	63.5 Å²	63.5	94%	0.939	33%	0.33	S	S	*	.			trans	-107.7	97.4	170.2	-92.6	-178.1	-21.7	0	0	107.8
68	N	63.3	Low	79.8	Confident	66 Å²	66	59.9 Å²	59.9	35%	0.353	31%	0.313	S	S	.	.			trans	-142.7	125.3	167.1	-164.1	-8.5	0	0	0	110.3	F66 S70	F66-N68 HydrophobicContact CD1-CB 3.7Å; F66-N68 HydrophobicContact CE1-CB 2.98Å; F66-N68 HydrophobicContact CE2-CB 4.07Å; F66-N68 HydrophobicContact CZ-CB 3.21Å; F66-N68 VanDerWaalsContact CZ-ND2 3.34Å; F66-N68 WeakPolarHBondContact CZ-ND2 3.48Å; N68-S70 PolarHBondContact O-N 3.21Å; N68-S70 PolarHBondContact OD1-N 3.03Å
69	S	64.9	Low	79.7	Confident	108 Å²	108	60.6 Å²	60.6	76%	0.755	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-6	-179.9	52.9	0	0	0	0	113.8
70	S	87.1	Confident	79.8	Confident	43 Å²	43	58.4 Å²	58.4	30%	0.301	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	35.9	-175	-52.7	0	0	0	0	113.5	S46 A47 N68	S46-S70 CarbonylContact C-O 3.54Å; S46-S70 WeakPolarHBondContact CA-O 3.4Å; A47-S70 PolarHBondContact N-O 3.38Å; A47-S70 WeakPolarHBondContact O-CB 3.28Å; N68-S70 PolarHBondContact O-N 3.21Å; N68-S70 PolarHBondContact OD1-N 3.03Å
71	M	90.4	Very high	80.1	Confident	28 Å²	28	54.2 Å²	54.2	14%	0.138	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.5	175.5	-178.6	-160.1	77.7	0	0	110.7	L44 I74 S94 F97 L588	L44-M71 HydrophobicContact CB-CG 4.46Å; L44-M71 HydrophobicContact CD1-CG 4.36Å; M71-I74 HydrophobicContact CE-CG2 3.99Å; M71-I74 HydrophobicContact SD-CB 3.6Å; M71-I74 VanDerWaalsContact SD-CB 3.6Å; M71-I74 HydrophobicContact SD-CD1 4.38Å; M71-I74 HydrophobicContact SD-CG2 3.62Å; M71-S94 WeakPolarHBondContact O-CB 3.31Å; M71-F97 WeakPolarHBondContact O-CE2 3.39Å; M71-L588 HydrophobicContact CE-CD2 4.07Å
72	V	94.4	Very high	80.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-47.2	175	-171.8	0	0	0	0	110.8	I45 A47 F56 T93 S94 F97 W105	I45-V72 HydrophobicContact CB-CB 4.38Å; I45-V72 HydrophobicContact CG2-CB 4.14Å; I45-V72 HydrophobicContact CG2-CG2 4.15Å; I45-V72 PolarHBondContact O-N 3.49Å; A47-V72 HydrophobicContact CB-CG2 3.71Å; F56-V72 HydrophobicContact CD1-CG2 4.05Å; F56-V72 HydrophobicContact CE1-CG2 3.96Å; V72-T93 WeakPolarHBondContact O-CA 3.36Å; V72-S94 PolarHBondContact O-N 3.06Å; V72-F97 HydrophobicContact CB-CD2 4.12Å; V72-F97 HydrophobicContact CB-CE2 4.35Å; V72-F97 HydrophobicContact CB-CG 4.36Å; V72-F97 HydrophobicContact CG1-CB 4.17Å; V72-F97 HydrophobicContact CG1-CD2 4.22Å; V72-F97 HydrophobicContact CG1-CG 4.08Å; V72-F97 HydrophobicContact CG2-CD1 3.98Å; V72-F97 HydrophobicContact CG2-CD2 3.9Å; V72-F97 HydrophobicContact CG2-CE1 3.91Å; V72-F97 HydrophobicContact CG2-CE2 3.81Å; V72-F97 HydrophobicContact CG2-CG 3.98Å; V72-F97 HydrophobicContact CG2-CZ 3.82Å; V72-W105 HydrophobicContact CG1-CB 4.32Å; V72-W105 HydrophobicContact CG1-CG 4.38Å
73	A	94.5	Very high	81.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.4	-178.3	0	0	0	0	0	110.5	L44 I45 A92 T93 W105 L109	L44-A73 CarbonylContact C-O 3.51Å; L44-A73 VanDerWaalsContact CA-O 3.27Å; L44-A73 WeakPolarHBondContact CA-O 3.13Å; L44-A73 WeakPolarHBondContact CB-O 3.43Å; I45-A73 PolarHBondContact N-O 3Å; I45-A73 PolarHBondContact O-N 3.03Å; A73-A92 CarbonylContact C-O 3.58Å; A73-A92 VanDerWaalsContact CA-O 3.28Å; A73-A92 WeakPolarHBondContact CA-O 3.35Å; A73-T93 HydrophobicContact CB-CG2 3.94Å; A73-W105 HydrophobicContact CB-CB 3.93Å; A73-L109 VanDerWaalsContact C-CD1 3.47Å; A73-L109 HydrophobicContact CB-CD1 3.63Å; A73-L109 WeakPolarHBondContact O-CD1 3.49Å
74	I	92.7	Very high	83.5	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.1	172.8	-174.2	165.8	0	0	0	109.2	I42 A43 L44 L61 M71 V91 A92 I594	I42-I74 HydrophobicContact CG2-CD1 4.05Å; I42-I74 HydrophobicContact CG2-CG1 4.19Å; A43-I74 CarbonylContact O-C 2.9Å; A43-I74 WeakPolarHBondContact O-CA 3.4Å; A43-I74 WeakPolarHBondContact O-CG1 3.33Å; L44-I74 HydrophobicContact CB-CB 4.05Å; L44-I74 HydrophobicContact CB-CD1 4.47Å; L44-I74 HydrophobicContact CB-CG1 4.04Å; L61-I74 HydrophobicContact CD1-CD1 4.42Å; M71-I74 HydrophobicContact CE-CG2 3.99Å; M71-I74 HydrophobicContact SD-CB 3.6Å; M71-I74 VanDerWaalsContact SD-CB 3.6Å; M71-I74 HydrophobicContact SD-CD1 4.38Å; M71-I74 HydrophobicContact SD-CG2 3.62Å; I74-V91 WeakPolarHBondContact O-CA 3.49Å; I74-A92 HydrophobicContact CG2-CB 3.99Å; I74-A92 PolarHBondContact N-O 2.75Å; I74-A92 PolarHBondContact O-N 2.94Å; I74-I594 HydrophobicContact CD1-CD1 4.19Å
75	A	93	Very high	85.4	Confident	2 Å²	2	45 Å²	45	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.2	173	0	0	0	0	0	110.9	I42 A43 T90 V91 L109 L113	I42-A75 WeakPolarHBondContact CA-O 3.03Å; A43-A75 PolarHBondContact N-O 3.14Å; A43-A75 PolarHBondContact O-N 2.74Å; A75-T90 CarbonylContact C-O 3.54Å; A75-T90 WeakPolarHBondContact CA-O 3.04Å; A75-V91 HydrophobicContact CB-CG1 4.32Å; A75-V91 HydrophobicContact CB-CG2 4.13Å; A75-L109 HydrophobicContact CB-CB 3.86Å; A75-L109 HydrophobicContact CB-CD1 4.32Å; A75-L113 HydrophobicContact CB-CD1 3.52Å; A75-L113 WeakPolarHBondContact O-CD1 3.43Å
76	A	91.4	Very high	87.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.3	175	0	0	0	0	0	108.6	S41 I42 L89 T90 Y587 I594	S41-A76 WeakPolarHBondContact O-CA 2.94Å; I42-A76 HydrophobicContact CG1-CB 4.05Å; A76-L89 CarbonylContact O-C 3.58Å; A76-L89 WeakPolarHBondContact O-CA 3.18Å; A76-T90 PolarHBondContact N-O 2.89Å; A76-T90 PolarHBondContact O-N 3.11Å; A76-Y587 HydrophobicContact CB-CE1 4.27Å; A76-I594 HydrophobicContact CB-CG2 4.29Å
77	F	92.7	Very high	88.9	Confident	9 Å²	9	36.7 Å²	36.7	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.3	-173.9	174.9	-115.3	0	0	0	111.2	P40 S41 E79 S88 L89 L113 T114 L117	P40-F77 CarbonylContact C-O 3.48Å; P40-F77 WeakPolarHBondContact CA-O 3.44Å; S41-F77 PolarHBondContact N-O 2.77Å; S41-F77 PolarHBondContact O-N 2.9Å; F77-E79 HydrophobicContact CE1-CB 3.74Å; F77-E79 HydrophobicContact CE1-CG 4.48Å; F77-E79 HydrophobicContact CZ-CB 3.71Å; F77-E79 HydrophobicContact CZ-CG 4.18Å; F77-S88 WeakPolarHBondContact CA-O 3.35Å; F77-S88 WeakPolarHBondContact CD2-O 3.42Å; F77-L89 HydrophobicContact CB-CD1 3.98Å; F77-L89 HydrophobicContact CD2-CB 4.31Å; F77-L89 HydrophobicContact CD2-CD1 4.23Å; F77-L113 HydrophobicContact CB-CB 4.02Å; F77-L113 HydrophobicContact CB-CD1 4.11Å; F77-L113 WeakPolarHBondContact CD1-O 3.39Å; F77-L113 HydrophobicContact CG-CB 4.49Å; F77-T114 HydrophobicContact CD1-CG2 4.41Å; F77-T114 HydrophobicContact CD2-CG2 3.58Å; F77-T114 HydrophobicContact CE2-CG2 3.71Å; F77-T114 HydrophobicContact CG-CG2 3.99Å; F77-T114 HydrophobicContact CZ-CG2 4.24Å; F77-L117 HydrophobicContact CE1-CD1 4.11Å; F77-L117 HydrophobicContact CE2-CD1 4.04Å; F77-L117 HydrophobicContact CZ-CD1 3.28Å
78	E	92	Very high	90.7	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.051	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.3	177	-163	-173.9	-159.2	0	0	109.7	K80 S87 S88 F598	E78-K80 HydrophobicContact CG-CD 4.01Å; E78-K80 HydrophobicContact CG-CG 4.11Å; E78-K80 PolarHBondContact O-N 2.65Å; E78-K80 WeakPolarHBondContact OE1-CD 3.47Å; E78-K80 WeakPolarHBondContact OE1-CE 3.45Å; E78-K80 IonicContact OE1-NZ 3.15Å; E78-K80 PolarHBondContact OE1-NZ 3.04Å; E78-K80 IonicContact OE2-NZ 2.69Å; E78-S87 CarbonylContact O-C 3.51Å; E78-S87 VanDerWaalsContact O-CA 3.25Å; E78-S87 WeakPolarHBondContact O-CA 3.39Å; E78-S87 VanDerWaalsContact O-CB 3.24Å; E78-S87 WeakPolarHBondContact O-CB 3.44Å; E78-S88 VanDerWaalsContact CB-OG 3.31Å; E78-S88 WeakPolarHBondContact CB-OG 3.35Å; E78-S88 PolarHBondContact N-O 3.47Å; E78-S88 PolarHBondContact O-N 2.78Å; E78-F598 WeakPolarHBondContact OE2-CD2 3.5Å
79	E	92.5	Very high	92.2	Very high	89 Å²	89	24 Å²	24	42%	0.416	14%	0.138	S	C	.	.			trans	-82.8	101.5	177.1	-167.6	-175.6	142.4	0	0	111	F77 L117 M570	F77-E79 HydrophobicContact CE1-CB 3.74Å; F77-E79 HydrophobicContact CE1-CG 4.48Å; F77-E79 HydrophobicContact CZ-CB 3.71Å; F77-E79 HydrophobicContact CZ-CG 4.18Å; E79-L117 HydrophobicContact CG-CD1 4.01Å; E79-M570 WeakPolarHBondContact OE1-CE 3.47Å
80	K	93.1	Very high	93.6	Very high	14 Å²	14	18.9 Å²	18.9	6%	0.061	10%	0.103	C	C	.	.			trans	-125.7	24.5	-179	-83.8	-176.6	167.5	170.9	0	114.1	I35 E78 N82 T83 T84 W86 F598	I35-K80 PolarHBondContact O-NZ 2.92Å; E78-K80 HydrophobicContact CG-CD 4.01Å; E78-K80 HydrophobicContact CG-CG 4.11Å; E78-K80 PolarHBondContact O-N 2.65Å; E78-K80 WeakPolarHBondContact OE1-CD 3.47Å; E78-K80 WeakPolarHBondContact OE1-CE 3.45Å; E78-K80 IonicContact OE1-NZ 3.15Å; E78-K80 PolarHBondContact OE1-NZ 3.04Å; E78-K80 IonicContact OE2-NZ 2.69Å; K80-N82 VanDerWaalsContact C-N 3.31Å; K80-N82 PolarHBondContact O-N 3.25Å; K80-T83 PolarHBondContact O-N 3.44Å; K80-T83 VanDerWaalsContact O-N 3.16Å; K80-T83 PolarHBondContact O-OG1 3.41Å; K80-T84 HydrophobicContact CB-CG2 4.31Å; K80-T84 PolarHBondContact O-N 3.29Å; K80-T84 PolarHBondContact O-OG1 3.25Å; K80-W86 CarbonylContact C-O 3.6Å; K80-W86 VanDerWaalsContact CA-O 3.32Å; K80-W86 WeakPolarHBondContact CA-O 3.35Å; K80-W86 WeakPolarHBondContact CB-O 3.43Å; K80-W86 PolarHBondContact N-O 3.48Å; K80-F598 HydrophobicContact CB-CD2 4.45Å; K80-F598 HydrophobicContact CB-CE2 4.35Å; K80-F598 HydrophobicContact CD-CD2 3.9Å
81	I	94.2	Very high	93.9	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-39.4	-177.4	-73.3	165.2	0	0	0	112.3	T83 G85 W86 S87 L117 L272 P572	I81-T83 VanDerWaalsContact C-N 3.28Å; I81-T83 PolarHBondContact O-N 3.08Å; I81-G85 WeakPolarHBondContact O-CA 3.45Å; I81-G85 PolarHBondContact O-N 2.65Å; I81-W86 PolarHBondContact N-O 3.06Å; I81-S87 WeakPolarHBondContact CD1-OG 3.38Å; I81-S87 WeakPolarHBondContact CG1-OG 3.13Å; I81-L117 HydrophobicContact CD1-CD1 4.11Å; I81-L117 HydrophobicContact CD1-CD2 3.21Å; I81-L117 HydrophobicContact CD1-CG 4.17Å; I81-L272 HydrophobicContact CD1-CD2 4Å; I81-L272 HydrophobicContact CG2-CD2 4.47Å; I81-P572 HydrophobicContact CG2-CG 3.8Å; I81-P572 WeakPolarHBondContact O-CG 3.34Å
82	N	94.7	Very high	94.1	Very high	114 Å²	114	15.6 Å²	15.6	61%	0.61	8%	0.082	S	C	*	.	H	α-helix	trans	-69.9	-22.6	-179.4	-72.9	-39.2	0	0	0	114	K80	K80-N82 VanDerWaalsContact C-N 3.31Å; K80-N82 PolarHBondContact O-N 3.25Å
83	T	93.8	Very high	94.1	Very high	68 Å²	68	15.6 Å²	15.6	42%	0.417	8%	0.082	S	C	.	.	H	α-helix	trans	-105.3	-31.9	-176.2	51	0	0	0	0	113	K80 I81	K80-T83 PolarHBondContact O-N 3.44Å; K80-T83 VanDerWaalsContact O-N 3.16Å; K80-T83 PolarHBondContact O-OG1 3.41Å; I81-T83 VanDerWaalsContact C-N 3.28Å; I81-T83 PolarHBondContact O-N 3.08Å
84	T	95.3	Very high	93.9	Very high	5 Å²	5	16 Å²	16	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-125.3	-9.2	-174.2	69.2	0	0	0	0	113.8	I35 K80 W86 F577 V580	I35-T84 HydrophobicContact CD1-CG2 4.49Å; K80-T84 HydrophobicContact CB-CG2 4.31Å; K80-T84 PolarHBondContact O-N 3.29Å; K80-T84 PolarHBondContact O-OG1 3.25Å; T84-W86 PolarHBondContact O-N 2.94Å; T84-W86 PolarHBondContact OG1-N 3.27Å; T84-W86 VanDerWaalsContact OG1-N 3.13Å; T84-W86 PolarHBondContact OG1-O 3.3Å; T84-F577 VanDerWaalsContact C-CD1 3.49Å; T84-F577 VanDerWaalsContact C-CG 3.43Å; T84-F577 WeakPolarHBondContact O-CB 3.32Å; T84-V580 HydrophobicContact CG2-CG1 3.83Å
85	G	96.6	Very high	93.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	69.9	3.6	-169.6	0	0	0	0	0	114.3	I81 S547	I81-G85 WeakPolarHBondContact O-CA 3.45Å; I81-G85 PolarHBondContact O-N 2.65Å; G85-S547 VanDerWaalsContact O-CB 3.24Å; G85-S547 WeakPolarHBondContact O-CB 3.49Å; G85-S547 PolarHBondContact O-OG 3.27Å
86	W	97.2	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.			trans	-126.2	146.2	176.1	-63.9	103.7	0	0	0	111	K80 I81 T84 R273 L275 D529 K531 A545 S547 V580 F598	K80-W86 CarbonylContact C-O 3.6Å; K80-W86 VanDerWaalsContact CA-O 3.32Å; K80-W86 WeakPolarHBondContact CA-O 3.35Å; K80-W86 WeakPolarHBondContact CB-O 3.43Å; K80-W86 PolarHBondContact N-O 3.48Å; I81-W86 PolarHBondContact N-O 3.06Å; T84-W86 PolarHBondContact O-N 2.94Å; T84-W86 PolarHBondContact OG1-N 3.27Å; T84-W86 VanDerWaalsContact OG1-N 3.13Å; T84-W86 PolarHBondContact OG1-O 3.3Å; W86-R273 HydrophobicContact CD2-CB 3.99Å; W86-R273 HydrophobicContact CE3-CB 3.19Å; W86-R273 HydrophobicContact CE3-CG 4.11Å; W86-R273 HydrophobicContact CH2-CB 4.18Å; W86-R273 HydrophobicContact CH2-CG 4.32Å; W86-R273 HydrophobicContact CZ3-CB 3.34Å; W86-R273 HydrophobicContact CZ3-CG 3.94Å; W86-L275 HydrophobicContact CB-CD1 4.05Å; W86-L275 HydrophobicContact CD2-CD1 3.69Å; W86-L275 HydrophobicContact CD2-CG 3.91Å; W86-L275 HydrophobicContact CE3-CD1 3.89Å; W86-L275 HydrophobicContact CE3-CD2 4.15Å; W86-L275 HydrophobicContact CE3-CG 3.54Å; W86-L275 HydrophobicContact CG-CD1 3.75Å; W86-L275 HydrophobicContact CG-CG 4.39Å; W86-L275 HydrophobicContact CZ3-CD2 4.09Å; W86-L275 HydrophobicContact CZ3-CG 3.98Å; W86-D529 HydrophobicContact CH2-CB 4.05Å; W86-D529 HydrophobicContact CZ2-CB 3.83Å; W86-K531 HydrophobicContact CH2-CD 4.38Å; W86-A545 HydrophobicContact CZ2-CB 3.95Å; W86-S547 VanDerWaalsContact NE1-N 3.19Å; W86-V580 HydrophobicContact CG-CG2 4.36Å; W86-F598 HydrophobicContact CB-CZ 3.92Å
87	S	95.7	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	162.6	152.6	-61.8	0	0	0	0	109.9	E78 I81 R273 V274 L275	E78-S87 CarbonylContact O-C 3.51Å; E78-S87 VanDerWaalsContact O-CA 3.25Å; E78-S87 WeakPolarHBondContact O-CA 3.39Å; E78-S87 VanDerWaalsContact O-CB 3.24Å; E78-S87 WeakPolarHBondContact O-CB 3.44Å; I81-S87 WeakPolarHBondContact CD1-OG 3.38Å; I81-S87 WeakPolarHBondContact CG1-OG 3.13Å; S87-R273 PolarHBondContact N-O 3.43Å; S87-V274 CarbonylContact O-C 3.56Å; S87-V274 WeakPolarHBondContact O-CA 3.18Å; S87-L275 PolarHBondContact O-N 2.57Å
88	S	94.7	Very high	93.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.7	170.1	71.7	0	0	0	0	110.9	F77 E78 L275 A596	F77-S88 WeakPolarHBondContact CA-O 3.35Å; F77-S88 WeakPolarHBondContact CD2-O 3.42Å; E78-S88 VanDerWaalsContact CB-OG 3.31Å; E78-S88 WeakPolarHBondContact CB-OG 3.35Å; E78-S88 PolarHBondContact N-O 3.47Å; E78-S88 PolarHBondContact O-N 2.78Å; S88-L275 CarbonylContact C-O 3.56Å; S88-L275 WeakPolarHBondContact CA-O 3.45Å; S88-A596 WeakPolarHBondContact OG-CB 3.41Å
89	L	94.6	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.8	175.9	175.8	73.1	0	0	0	109.1	A76 F77 V91 E110 T114 V274 L275 K276 H277	A76-L89 CarbonylContact O-C 3.58Å; A76-L89 WeakPolarHBondContact O-CA 3.18Å; F77-L89 HydrophobicContact CB-CD1 3.98Å; F77-L89 HydrophobicContact CD2-CB 4.31Å; F77-L89 HydrophobicContact CD2-CD1 4.23Å; L89-V91 HydrophobicContact CD1-CG2 4.18Å; L89-V91 HydrophobicContact CD2-CG2 3.93Å; L89-V91 HydrophobicContact CG-CG2 3.93Å; L89-E110 HydrophobicContact CD2-CB 4.08Å; L89-E110 VanDerWaalsContact CD2-CD 3.5Å; L89-E110 HydrophobicContact CD2-CG 3.49Å; L89-E110 VanDerWaalsContact CD2-CG 3.49Å; L89-T114 HydrophobicContact CD1-CG2 4.34Å; L89-T114 HydrophobicContact CD2-CG2 4.49Å; L89-V274 HydrophobicContact CB-CG1 3.64Å; L89-L275 PolarHBondContact N-O 3.01Å; L89-K276 HydrophobicContact CB-CG 4.36Å; L89-K276 HydrophobicContact CD2-CD 4.32Å; L89-K276 HydrophobicContact CD2-CG 4.34Å; L89-K276 CarbonylContact O-C 3.56Å; L89-K276 VanDerWaalsContact O-CA 3.28Å; L89-K276 WeakPolarHBondContact O-CA 3.45Å; L89-H277 PolarHBondContact O-N 2.67Å
90	T	94.3	Very high	94.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.6	161.3	-44.9	0	0	0	0	110.5	A75 A76 H277 F584 Y587	A75-T90 CarbonylContact C-O 3.54Å; A75-T90 WeakPolarHBondContact CA-O 3.04Å; A76-T90 PolarHBondContact N-O 2.89Å; A76-T90 PolarHBondContact O-N 3.11Å; T90-H277 CarbonylContact C-O 3.56Å; T90-H277 VanDerWaalsContact CA-O 3.29Å; T90-H277 WeakPolarHBondContact CA-O 3.37Å; T90-H277 HydrophobicContact CG2-CB 3.91Å; T90-H277 WeakPolarHBondContact CG2-O 3.46Å; T90-F584 WeakPolarHBondContact OG1-CD1 3.18Å; T90-Y587 HydrophobicContact CG2-CD2 3.68Å; T90-Y587 HydrophobicContact CG2-CE2 3.09Å; T90-Y587 PolarHBondContact OG1-OH 3.39Å
91	V	95	Very high	94.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.1	170.2	-166.6	0	0	0	0	108.8	I74 A75 L89 A106 E110 H277 Y278 N279 F280	I74-V91 WeakPolarHBondContact O-CA 3.49Å; A75-V91 HydrophobicContact CB-CG1 4.32Å; A75-V91 HydrophobicContact CB-CG2 4.13Å; L89-V91 HydrophobicContact CD1-CG2 4.18Å; L89-V91 HydrophobicContact CD2-CG2 3.93Å; L89-V91 HydrophobicContact CG-CG2 3.93Å; V91-A106 HydrophobicContact CG1-CB 3.85Å; V91-E110 HydrophobicContact CG2-CB 4.22Å; V91-H277 PolarHBondContact N-O 2.83Å; V91-Y278 HydrophobicContact CB-CD1 3.94Å; V91-Y278 HydrophobicContact CB-CE1 4.22Å; V91-Y278 HydrophobicContact CG2-CD1 4.07Å; V91-Y278 HydrophobicContact CG2-CE1 3.89Å; V91-Y278 CarbonylContact O-C 3.37Å; V91-Y278 WeakPolarHBondContact O-CA 3.32Å; V91-N279 PolarHBondContact O-N 3.43Å; V91-F280 HydrophobicContact CB-CE1 4Å; V91-F280 HydrophobicContact CB-CZ 4.14Å; V91-F280 HydrophobicContact CG1-CE1 3.84Å; V91-F280 HydrophobicContact CG1-CZ 4.16Å
92	A	94	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.3	176.1	0	0	0	0	0	111	A73 I74 N279	A73-A92 CarbonylContact C-O 3.58Å; A73-A92 VanDerWaalsContact CA-O 3.28Å; A73-A92 WeakPolarHBondContact CA-O 3.35Å; I74-A92 HydrophobicContact CG2-CB 3.99Å; I74-A92 PolarHBondContact N-O 2.75Å; I74-A92 PolarHBondContact O-N 2.94Å; A92-N279 VanDerWaalsContact CA-O 3.26Å; A92-N279 WeakPolarHBondContact CA-O 3.35Å; A92-N279 HydrophobicContact CB-CB 4.12Å
93	T	93.7	Very high	94.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.4	177.4	62.4	0	0	0	0	111.8	V72 A73 Q102 A106 N279 F280 P281	V72-T93 WeakPolarHBondContact O-CA 3.36Å; A73-T93 HydrophobicContact CB-CG2 3.94Å; T93-Q102 HydrophobicContact CG2-CB 3.97Å; T93-Q102 WeakPolarHBondContact CG2-O 3.24Å; T93-Q102 PolarHBondContact OG1-OE1 3.45Å; T93-A106 HydrophobicContact CG2-CB 3.77Å; T93-N279 PolarHBondContact N-O 3.24Å; T93-F280 HydrophobicContact CG2-CD1 3.73Å; T93-F280 HydrophobicContact CG2-CE1 3.96Å; T93-P281 WeakPolarHBondContact O-CD 3.2Å; T93-P281 WeakPolarHBondContact O-CG 3.4Å; T93-P281 WeakPolarHBondContact OG1-CD 3.28Å
94	S	90.8	Very high	95.1	Very high	10 Å²	10	18.2 Å²	18.2	7%	0.07	11%	0.108	C	C	.	.			trans	-94.1	133.8	177.2	179.4	0	0	0	0	111.8	M71 V72 D96 F97 Q102	M71-S94 WeakPolarHBondContact O-CB 3.31Å; V72-S94 PolarHBondContact O-N 3.06Å; S94-D96 PolarHBondContact O-N 3.14Å; S94-D96 VanDerWaalsContact O-N 3.17Å; S94-D96 WeakPolarHBondContact OG-CB 3.16Å; S94-D96 VanDerWaalsContact OG-CG 3.26Å; S94-D96 PolarHBondContact OG-N 2.86Å; S94-D96 VanDerWaalsContact OG-N 3.13Å; S94-D96 PolarHBondContact OG-OD2 3.24Å; S94-F97 PolarHBondContact O-N 3.46Å; S94-Q102 VanDerWaalsContact O-CG 3.27Å; S94-Q102 WeakPolarHBondContact O-CG 3.43Å; S94-Q102 PolarHBondContact O-NE2 3.33Å; S94-Q102 PolarHBondContact O-OE1 3.29Å
95	S	90.5	Very high	95.3	Very high	81 Å²	81	18 Å²	18	57%	0.566	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.6	172.1	53.6	0	0	0	0	114.3	F97	S95-F97 PolarHBondContact O-N 3.44Å
96	D	90	Very high	95.3	Very high	118 Å²	118	18 Å²	18	63%	0.631	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.2	178.3	-58	-33.7	0	0	0	112.6	S94	S94-D96 PolarHBondContact O-N 3.14Å; S94-D96 VanDerWaalsContact O-N 3.17Å; S94-D96 WeakPolarHBondContact OG-CB 3.16Å; S94-D96 VanDerWaalsContact OG-CG 3.26Å; S94-D96 PolarHBondContact OG-N 2.86Å; S94-D96 VanDerWaalsContact OG-N 3.13Å; S94-D96 PolarHBondContact OG-OD2 3.24Å
97	F	93.2	Very high	95.4	Very high	28 Å²	28	18 Å²	18	12%	0.123	11%	0.106	C	C	.	.	S	Bend	trans	-114.5	152.8	-179.4	-65.3	-85.2	0	0	0	111.7	A47 L54 M71 V72 S94 S95 D99 Q102	A47-F97 HydrophobicContact CB-CD1 4.4Å; A47-F97 HydrophobicContact CB-CE1 3.41Å; A47-F97 VanDerWaalsContact CB-CE1 3.41Å; A47-F97 HydrophobicContact CB-CZ 3.64Å; L54-F97 HydrophobicContact CD2-CD1 4.27Å; L54-F97 HydrophobicContact CD2-CE1 4.18Å; M71-F97 WeakPolarHBondContact O-CE2 3.39Å; V72-F97 HydrophobicContact CB-CD2 4.12Å; V72-F97 HydrophobicContact CB-CE2 4.35Å; V72-F97 HydrophobicContact CB-CG 4.36Å; V72-F97 HydrophobicContact CG1-CB 4.17Å; V72-F97 HydrophobicContact CG1-CD2 4.22Å; V72-F97 HydrophobicContact CG1-CG 4.08Å; V72-F97 HydrophobicContact CG2-CD1 3.98Å; V72-F97 HydrophobicContact CG2-CD2 3.9Å; V72-F97 HydrophobicContact CG2-CE1 3.91Å; V72-F97 HydrophobicContact CG2-CE2 3.81Å; V72-F97 HydrophobicContact CG2-CG 3.98Å; V72-F97 HydrophobicContact CG2-CZ 3.82Å; S94-F97 PolarHBondContact O-N 3.46Å; S95-F97 PolarHBondContact O-N 3.44Å; F97-D99 PolarHBondContact O-N 3.2Å; F97-Q102 HydrophobicContact CB-CG 4.3Å; F97-Q102 PolarHBondContact O-NE2 3Å
98	P	94.7	Very high	95.6	Very high	72 Å²	72	18.4 Å²	18.4	47%	0.468	11%	0.108	S	C	.	.			trans	-50.2	137.3	169.4	-28.8	34.3	0	0	0	113.3	N100 L101 Q102	P98-N100 WeakPolarHBondContact CB-OD1 3.45Å; P98-N100 PolarHBondContact O-N 3.2Å; P98-N100 VanDerWaalsContact O-N 3.16Å; P98-L101 HydrophobicContact CB-CD1 4.39Å; P98-L101 HydrophobicContact CB-CG 4.39Å; P98-L101 HydrophobicContact CG-CD1 4.21Å; P98-L101 WeakPolarHBondContact O-CB 3.1Å; P98-L101 PolarHBondContact O-N 3.3Å; P98-Q102 PolarHBondContact O-N 3.46Å; P98-Q102 VanDerWaalsContact O-N 3.08Å
99	D	96.9	Very high	95.7	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-31	-174	-66.3	-6.6	0	0	0	113.2	F97 L101 Q102 A103 Y167 L171 W282 K283	F97-D99 PolarHBondContact O-N 3.2Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.02Å; D99-Q102 WeakPolarHBondContact O-CB 3.21Å; D99-Q102 PolarHBondContact O-N 3.49Å; D99-Q102 PolarHBondContact OD1-NE2 2.79Å; D99-A103 VanDerWaalsContact O-CB 3.3Å; D99-A103 WeakPolarHBondContact O-CB 3.41Å; D99-A103 PolarHBondContact O-N 3.2Å; D99-Y167 WeakPolarHBondContact CB-OH 3.23Å; D99-Y167 PolarHBondContact OD2-OH 3.29Å; D99-Y167 VanDerWaalsContact OD2-OH 3.14Å; D99-L171 HydrophobicContact CB-CD1 3.9Å; D99-L171 HydrophobicContact CB-CD2 3.61Å; D99-L171 HydrophobicContact CB-CG 4.43Å; D99-W282 HydrophobicContact CB-CG 4.4Å; D99-K283 WeakPolarHBondContact OD2-CB 3.26Å; D99-K283 PolarHBondContact OD2-N 3.42Å
100	N	97.3	Very high	95.9	Very high	48 Å²	48	18.4 Å²	18.4	26%	0.257	11%	0.108	S	C	.	.	H	α-helix	trans	-64.6	-37.1	175.8	65.5	-56.3	0	0	0	112.2	P98 Y104 W174	P98-N100 WeakPolarHBondContact CB-OD1 3.45Å; P98-N100 PolarHBondContact O-N 3.2Å; P98-N100 VanDerWaalsContact O-N 3.16Å; N100-Y104 WeakPolarHBondContact O-CB 3.43Å; N100-Y104 PolarHBondContact O-N 3.34Å; N100-W174 HydrophobicContact CB-CD2 4.27Å; N100-W174 HydrophobicContact CB-CG 4.07Å
101	L	97.7	Very high	96.1	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-72	-41.8	175.1	-62.1	-179.8	0	0	0	110.8	L54 F56 P98 D99 A103 W105 A191 L194	L54-L101 HydrophobicContact CD2-CD1 4.34Å; F56-L101 HydrophobicContact CE1-CD1 4.45Å; F56-L101 HydrophobicContact CE2-CD2 4.32Å; F56-L101 HydrophobicContact CZ-CD1 3.86Å; F56-L101 HydrophobicContact CZ-CD2 3.84Å; F56-L101 HydrophobicContact CZ-CG 4.29Å; P98-L101 HydrophobicContact CB-CD1 4.39Å; P98-L101 HydrophobicContact CB-CG 4.39Å; P98-L101 HydrophobicContact CG-CD1 4.21Å; P98-L101 WeakPolarHBondContact O-CB 3.1Å; P98-L101 PolarHBondContact O-N 3.3Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.02Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-A103 PolarHBondContact O-N 3.35Å; L101-W105 WeakPolarHBondContact O-CB 3.42Å; L101-W105 PolarHBondContact O-N 3.25Å; L101-A191 HydrophobicContact CD1-CB 4.43Å; L101-L194 HydrophobicContact CD2-CB 4.18Å; L101-L194 HydrophobicContact CD2-CD1 3.76Å
102	Q	97.6	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.6	-50.6	172.7	-67.9	-179.2	57	0	0	110.8	T93 S94 F97 P98 D99 W105 A106	T93-Q102 HydrophobicContact CG2-CB 3.97Å; T93-Q102 WeakPolarHBondContact CG2-O 3.24Å; T93-Q102 PolarHBondContact OG1-OE1 3.45Å; S94-Q102 VanDerWaalsContact O-CG 3.27Å; S94-Q102 WeakPolarHBondContact O-CG 3.43Å; S94-Q102 PolarHBondContact O-NE2 3.33Å; S94-Q102 PolarHBondContact O-OE1 3.29Å; F97-Q102 HydrophobicContact CB-CG 4.3Å; F97-Q102 PolarHBondContact O-NE2 3Å; P98-Q102 PolarHBondContact O-N 3.46Å; P98-Q102 VanDerWaalsContact O-N 3.08Å; D99-Q102 WeakPolarHBondContact O-CB 3.21Å; D99-Q102 PolarHBondContact O-N 3.49Å; D99-Q102 PolarHBondContact OD1-NE2 2.79Å; Q102-W105 PolarHBondContact O-N 3.29Å; Q102-A106 VanDerWaalsContact O-CB 3.3Å; Q102-A106 WeakPolarHBondContact O-CB 3.42Å; Q102-A106 PolarHBondContact O-N 3Å
103	A	98.7	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-49.5	-178.1	0	0	0	0	0	112.4	D99 L101 W105 A106 G107 L171 W174 Q175 W282	D99-A103 VanDerWaalsContact O-CB 3.3Å; D99-A103 WeakPolarHBondContact O-CB 3.41Å; D99-A103 PolarHBondContact O-N 3.2Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-A103 PolarHBondContact O-N 3.35Å; A103-W105 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 3.3Å; A103-G107 PolarHBondContact O-N 3.13Å; A103-G107 VanDerWaalsContact O-N 3.11Å; A103-L171 HydrophobicContact CB-CB 4.29Å; A103-L171 HydrophobicContact CB-CD2 4.47Å; A103-L171 VanDerWaalsContact CB-O 3.28Å; A103-L171 WeakPolarHBondContact CB-O 3.27Å; A103-W174 HydrophobicContact CB-CB 3.9Å; A103-Q175 HydrophobicContact CB-CB 4.42Å; A103-Q175 VanDerWaalsContact O-CA 3.24Å; A103-Q175 WeakPolarHBondContact O-CA 3.37Å; A103-W282 HydrophobicContact CB-CH2 3.92Å; A103-W282 HydrophobicContact CB-CZ2 3.59Å
104	Y	98.8	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.1	-50.7	176.2	178.7	-93	0	0	0	111.6	N100 A106 G107 F108 W174 K177 G178 D181 I188 L194 Y198	N100-Y104 WeakPolarHBondContact O-CB 3.43Å; N100-Y104 PolarHBondContact O-N 3.34Å; Y104-A106 PolarHBondContact O-N 2.98Å; Y104-G107 PolarHBondContact O-N 3.49Å; Y104-F108 PolarHBondContact O-N 2.95Å; Y104-W174 WeakPolarHBondContact CA-O 3.42Å; Y104-W174 HydrophobicContact CD2-CE3 4.04Å; Y104-W174 HydrophobicContact CD2-CZ3 4.35Å; Y104-W174 HydrophobicContact CG-CE3 4.47Å; Y104-K177 HydrophobicContact CD2-CB 4.39Å; Y104-K177 HydrophobicContact CD2-CG 4.31Å; Y104-K177 HydrophobicContact CE2-CG 4.08Å; Y104-G178 WeakPolarHBondContact O-CA 3.42Å; Y104-D181 WeakPolarHBondContact CE2-OD2 3.48Å; Y104-D181 PolarHBondContact OH-OD2 3.44Å; Y104-I188 VanDerWaalsContact OH-CG1 3.28Å; Y104-I188 WeakPolarHBondContact OH-CG1 3.42Å; Y104-L194 HydrophobicContact CD1-CD1 3.63Å; Y104-L194 HydrophobicContact CD1-CD2 4.11Å; Y104-L194 HydrophobicContact CD2-CD2 3.98Å; Y104-L194 HydrophobicContact CE1-CD1 3.88Å; Y104-L194 HydrophobicContact CE1-CD2 3.83Å; Y104-L194 HydrophobicContact CE2-CD2 3.68Å; Y104-L194 HydrophobicContact CG-CD1 4.07Å; Y104-L194 HydrophobicContact CG-CD2 4.18Å; Y104-Y198 HydrophobicContact CE2-CE1 4.41Å
105	W	98.5	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.7	-29.1	-176.7	-74	120.4	0	0	0	114	I45 F56 V72 A73 L101 Q102 A103 F108 L109 F187 I188	I45-W105 HydrophobicContact CB-CB 4.29Å; I45-W105 HydrophobicContact CB-CD2 4.17Å; I45-W105 HydrophobicContact CB-CE3 4.34Å; I45-W105 HydrophobicContact CB-CG 4.15Å; I45-W105 HydrophobicContact CD1-CD2 4.08Å; I45-W105 HydrophobicContact CD1-CE3 3.41Å; I45-W105 VanDerWaalsContact CD1-CE3 3.41Å; I45-W105 HydrophobicContact CD1-CH2 4.35Å; I45-W105 HydrophobicContact CD1-CZ3 3.57Å; I45-W105 HydrophobicContact CG1-CB 4.02Å; I45-W105 HydrophobicContact CG1-CD2 3.71Å; I45-W105 HydrophobicContact CG1-CE3 3.42Å; I45-W105 VanDerWaalsContact CG1-CE3 3.42Å; I45-W105 HydrophobicContact CG1-CG 3.99Å; I45-W105 HydrophobicContact CG1-CZ3 4.13Å; I45-W105 HydrophobicContact CG2-CB 4.44Å; I45-W105 HydrophobicContact CG2-CD2 3.66Å; I45-W105 HydrophobicContact CG2-CE3 4.13Å; I45-W105 HydrophobicContact CG2-CG 3.79Å; I45-W105 HydrophobicContact CG2-CZ2 4.43Å; F56-W105 HydrophobicContact CB-CH2 4.17Å; F56-W105 HydrophobicContact CB-CZ2 3.44Å; F56-W105 VanDerWaalsContact CB-CZ2 3.44Å; F56-W105 AromaticContact CD1-CE2 3.99Å; F56-W105 HydrophobicContact CD1-CZ2 4.3Å; F56-W105 AromaticContact CD1-NE1 3.36Å; F56-W105 AromaticContact CD2-CE2 3.67Å; F56-W105 AromaticContact CD2-CZ2 3.35Å; F56-W105 HydrophobicContact CD2-CZ2 3.35Å; F56-W105 AromaticContact CD2-NE1 3.42Å; F56-W105 AromaticContact CE1-NE1 3.41Å; F56-W105 HydrophobicContact CE2-CZ2 4.08Å; F56-W105 AromaticContact CE2-NE1 3.39Å; F56-W105 AromaticContact CG-CE2 3.59Å; F56-W105 AromaticContact CG-CZ2 3.45Å; F56-W105 HydrophobicContact CG-CZ2 3.45Å; F56-W105 VanDerWaalsContact CG-CZ2 3.45Å; F56-W105 AromaticContact CG-NE1 3.37Å; F56-W105 AromaticContact CZ-NE1 3.41Å; V72-W105 HydrophobicContact CG1-CB 4.32Å; V72-W105 HydrophobicContact CG1-CG 4.38Å; A73-W105 HydrophobicContact CB-CB 3.93Å; L101-W105 WeakPolarHBondContact O-CB 3.42Å; L101-W105 PolarHBondContact O-N 3.25Å; Q102-W105 PolarHBondContact O-N 3.29Å; A103-W105 PolarHBondContact O-N 2.81Å; W105-F108 HydrophobicContact CE3-CB 3.75Å; W105-F108 AromaticContact CE3-CD1 3.94Å; W105-F108 HydrophobicContact CE3-CD1 3.94Å; W105-F108 AromaticContact CE3-CG 3.82Å; W105-F108 HydrophobicContact CE3-CG 3.82Å; W105-F108 HydrophobicContact CZ3-CB 4.11Å; W105-F108 AromaticContact CZ3-CD1 3.72Å; W105-F108 HydrophobicContact CZ3-CD1 3.72Å; W105-F108 HydrophobicContact CZ3-CD2 4.05Å; W105-F108 HydrophobicContact CZ3-CE1 4.21Å; W105-F108 HydrophobicContact CZ3-CE2 4.5Å; W105-F108 AromaticContact CZ3-CG 3.66Å; W105-F108 HydrophobicContact CZ3-CG 3.66Å; W105-F108 PolarHBondContact O-N 3.39Å; W105-L109 WeakPolarHBondContact O-CB 3.5Å; W105-L109 WeakPolarHBondContact O-CG 3.38Å; W105-L109 PolarHBondContact O-N 3.25Å; W105-F187 AromaticContact CH2-CD2 3.79Å; W105-F187 HydrophobicContact CH2-CD2 3.79Å; W105-F187 HydrophobicContact CH2-CE1 4.08Å; W105-F187 AromaticContact CH2-CE2 3.25Å; W105-F187 HydrophobicContact CH2-CE2 3.25Å; W105-F187 HydrophobicContact CH2-CG 4.4Å; W105-F187 AromaticContact CH2-CZ 3.42Å; W105-F187 HydrophobicContact CH2-CZ 3.42Å; W105-F187 VanDerWaalsContact CH2-CZ 3.42Å; W105-F187 HydrophobicContact CZ2-CE2 4.4Å; W105-F187 HydrophobicContact CZ2-CZ 4.23Å; W105-F187 AromaticContact CZ3-CD2 3.85Å; W105-F187 HydrophobicContact CZ3-CD2 3.85Å; W105-F187 AromaticContact CZ3-CE2 3.34Å; W105-F187 HydrophobicContact CZ3-CE2 3.34Å; W105-F187 AromaticContact CZ3-CZ 3.96Å; W105-F187 HydrophobicContact CZ3-CZ 3.96Å; W105-I188 WeakPolarHBondContact CH2-O 3.14Å; W105-I188 WeakPolarHBondContact CZ2-O 3.46Å
106	A	98.4	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-47.3	169.9	0	0	0	0	0	111.3	V91 T93 Q102 A103 Y104 E110 F280	V91-A106 HydrophobicContact CG1-CB 3.85Å; T93-A106 HydrophobicContact CG2-CB 3.77Å; Q102-A106 VanDerWaalsContact O-CB 3.3Å; Q102-A106 WeakPolarHBondContact O-CB 3.42Å; Q102-A106 PolarHBondContact O-N 3Å; A103-A106 PolarHBondContact O-N 3.3Å; Y104-A106 PolarHBondContact O-N 2.98Å; A106-E110 WeakPolarHBondContact O-CB 3.46Å; A106-E110 PolarHBondContact O-N 3.46Å; A106-E110 VanDerWaalsContact O-N 3.12Å; A106-F280 HydrophobicContact CB-CE1 3.7Å; A106-F280 HydrophobicContact CB-CZ 3.71Å
107	G	98.8	Very high	97.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-44.5	176.5	0	0	0	0	0	112.8	A103 Y104 E110 T111 Q175 M179	A103-G107 PolarHBondContact O-N 3.13Å; A103-G107 VanDerWaalsContact O-N 3.11Å; Y104-G107 PolarHBondContact O-N 3.49Å; G107-E110 PolarHBondContact O-N 2.86Å; G107-T111 PolarHBondContact O-N 3.41Å; G107-T111 VanDerWaalsContact O-N 3.15Å; G107-Q175 WeakPolarHBondContact CA-O 3.44Å; G107-M179 VanDerWaalsContact O-CG 3.3Å; G107-M179 WeakPolarHBondContact O-CG 3.48Å
108	F	98.7	Very high	97.6	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-49.8	178.1	-174.8	-80.5	0	0	0	111.9	Y58 Y104 W105 E110 T111 N112 G178 A182 K186 F187	Y58-F108 HydrophobicContact CD2-CE1 4.27Å; Y104-F108 PolarHBondContact O-N 2.95Å; W105-F108 HydrophobicContact CE3-CB 3.75Å; W105-F108 AromaticContact CE3-CD1 3.94Å; W105-F108 HydrophobicContact CE3-CD1 3.94Å; W105-F108 AromaticContact CE3-CG 3.82Å; W105-F108 HydrophobicContact CE3-CG 3.82Å; W105-F108 HydrophobicContact CZ3-CB 4.11Å; W105-F108 AromaticContact CZ3-CD1 3.72Å; W105-F108 HydrophobicContact CZ3-CD1 3.72Å; W105-F108 HydrophobicContact CZ3-CD2 4.05Å; W105-F108 HydrophobicContact CZ3-CE1 4.21Å; W105-F108 HydrophobicContact CZ3-CE2 4.5Å; W105-F108 AromaticContact CZ3-CG 3.66Å; W105-F108 HydrophobicContact CZ3-CG 3.66Å; W105-F108 PolarHBondContact O-N 3.39Å; F108-E110 PolarHBondContact O-N 3.17Å; F108-T111 PolarHBondContact O-N 2.82Å; F108-N112 HydrophobicContact CD1-CB 4.32Å; F108-N112 HydrophobicContact CE1-CB 4.04Å; F108-N112 WeakPolarHBondContact O-CB 3.32Å; F108-N112 PolarHBondContact O-N 3.03Å; F108-G178 WeakPolarHBondContact CA-O 3.35Å; F108-A182 HydrophobicContact CD1-CB 4.49Å; F108-A182 HydrophobicContact CD2-CB 3.68Å; F108-A182 HydrophobicContact CE2-CB 3.84Å; F108-A182 HydrophobicContact CG-CB 4.01Å; F108-A182 HydrophobicContact CZ-CB 4.3Å; F108-A182 WeakPolarHBondContact O-CB 3.22Å; F108-K186 WeakPolarHBondContact CE2-O 3.45Å; F108-F187 AromaticContact CE1-CD2 3.91Å; F108-F187 HydrophobicContact CE1-CD2 3.91Å; F108-F187 HydrophobicContact CE1-CE2 4.26Å; F108-F187 HydrophobicContact CE2-CD2 4.16Å; F108-F187 HydrophobicContact CZ-CB 4.49Å; F108-F187 AromaticContact CZ-CD2 3.6Å; F108-F187 HydrophobicContact CZ-CD2 3.6Å; F108-F187 HydrophobicContact CZ-CE2 4.39Å
109	L	97.7	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-44.1	-179.4	-77.6	180	0	0	0	112.2	A43 I45 Y58 A73 A75 W105 N112 L113	A43-L109 HydrophobicContact CB-CD2 4.06Å; I45-L109 HydrophobicContact CD1-CD2 4.04Å; I45-L109 HydrophobicContact CD1-CG 4.44Å; I45-L109 HydrophobicContact CG1-CD1 4.01Å; I45-L109 HydrophobicContact CG1-CD2 3.87Å; I45-L109 HydrophobicContact CG1-CG 3.81Å; Y58-L109 HydrophobicContact CD2-CD2 3.86Å; Y58-L109 HydrophobicContact CE2-CD2 3.63Å; A73-L109 VanDerWaalsContact C-CD1 3.47Å; A73-L109 HydrophobicContact CB-CD1 3.63Å; A73-L109 WeakPolarHBondContact O-CD1 3.49Å; A75-L109 HydrophobicContact CB-CB 3.86Å; A75-L109 HydrophobicContact CB-CD1 4.32Å; W105-L109 WeakPolarHBondContact O-CB 3.5Å; W105-L109 WeakPolarHBondContact O-CG 3.38Å; W105-L109 PolarHBondContact O-N 3.25Å; L109-N112 PolarHBondContact O-N 3.12Å; L109-L113 WeakPolarHBondContact O-CB 3.22Å; L109-L113 PolarHBondContact O-N 3.4Å
110	E	98.1	Very high	97.8	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-55.8	-55.9	177	167.1	164.4	159.8	0	0	111.7	L89 V91 A106 G107 F108 N112 L113 T114 M179 K276 Y278	L89-E110 HydrophobicContact CD2-CB 4.08Å; L89-E110 VanDerWaalsContact CD2-CD 3.5Å; L89-E110 HydrophobicContact CD2-CG 3.49Å; L89-E110 VanDerWaalsContact CD2-CG 3.49Å; V91-E110 HydrophobicContact CG2-CB 4.22Å; A106-E110 WeakPolarHBondContact O-CB 3.46Å; A106-E110 PolarHBondContact O-N 3.46Å; A106-E110 VanDerWaalsContact O-N 3.12Å; G107-E110 PolarHBondContact O-N 2.86Å; F108-E110 PolarHBondContact O-N 3.17Å; E110-N112 VanDerWaalsContact C-N 3.31Å; E110-N112 PolarHBondContact O-N 2.65Å; E110-L113 PolarHBondContact O-N 2.92Å; E110-T114 WeakPolarHBondContact O-CB 3.4Å; E110-T114 WeakPolarHBondContact O-CG2 3.22Å; E110-T114 PolarHBondContact O-N 2.83Å; E110-T114 PolarHBondContact O-OG1 3.01Å; E110-M179 HydrophobicContact CB-CE 4.41Å; E110-M179 VanDerWaalsContact CD-CE 3.47Å; E110-M179 HydrophobicContact CG-CE 4.14Å; E110-K276 WeakPolarHBondContact OE1-CE 3.49Å; E110-K276 IonicContact OE1-NZ 3.14Å; E110-K276 PolarHBondContact OE1-NZ 3.17Å; E110-Y278 VanDerWaalsContact CD-OH 3.32Å; E110-Y278 PolarHBondContact OE1-OH 3.05Å; E110-Y278 WeakPolarHBondContact OE2-CE1 3.34Å; E110-Y278 PolarHBondContact OE2-OH 2.83Å
111	T	98.6	Very high	97.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.8	-34.2	-176.1	-63.9	0	0	0	0	111.6	G107 F108 T114 L115 T118 M179 A182 F183 T305	G107-T111 PolarHBondContact O-N 3.41Å; G107-T111 VanDerWaalsContact O-N 3.15Å; F108-T111 PolarHBondContact O-N 2.82Å; T111-T114 CarbonylContact O-C 3.19Å; T111-T114 PolarHBondContact O-N 3.33Å; T111-L115 VanDerWaalsContact O-CA 3.23Å; T111-L115 WeakPolarHBondContact O-CA 3.2Å; T111-L115 WeakPolarHBondContact O-CB 3.27Å; T111-L115 PolarHBondContact O-N 2.96Å; T111-T118 HydrophobicContact CG2-CG2 4.36Å; T111-M179 WeakPolarHBondContact CG2-O 3.38Å; T111-M179 WeakPolarHBondContact OG1-CA 3.02Å; T111-M179 VanDerWaalsContact OG1-CB 3.29Å; T111-M179 WeakPolarHBondContact OG1-CB 3.37Å; T111-M179 WeakPolarHBondContact OG1-CG 3.3Å; T111-A182 HydrophobicContact CG2-CB 3.88Å; T111-F183 HydrophobicContact CG2-CB 3.97Å; T111-T305 WeakPolarHBondContact CB-OG1 3.38Å; T111-T305 HydrophobicContact CG2-CG2 4.17Å; T111-T305 WeakPolarHBondContact OG1-CG2 3.49Å; T111-T305 PolarHBondContact OG1-OG1 3.34Å
112	N	97.6	Very high	97.8	Very high	47 Å²	47	13.1 Å²	13.1	25%	0.251	7%	0.074	S	C	.	.	H	α-helix	trans	-68	-43.8	179	-166	63.8	0	0	0	112.1	Y58 F108 L109 E110 T114 A182	Y58-N112 VanDerWaalsContact CE2-ND2 3.3Å; Y58-N112 WeakPolarHBondContact CE2-ND2 3.21Å; Y58-N112 PolarHBondContact OH-ND2 3.42Å; F108-N112 HydrophobicContact CD1-CB 4.32Å; F108-N112 HydrophobicContact CE1-CB 4.04Å; F108-N112 WeakPolarHBondContact O-CB 3.32Å; F108-N112 PolarHBondContact O-N 3.03Å; L109-N112 PolarHBondContact O-N 3.12Å; E110-N112 VanDerWaalsContact C-N 3.31Å; E110-N112 PolarHBondContact O-N 2.65Å; N112-T114 VanDerWaalsContact C-N 3.34Å; N112-A182 HydrophobicContact CB-CB 4.23Å
113	L	95.5	Very high	97.8	Very high	25 Å²	25	15.1 Å²	15.1	13%	0.131	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-32.5	175.4	-76.6	-179.3	0	0	0	112.6	A43 A75 F77 L109 E110	A43-L113 HydrophobicContact CB-CD1 4.15Å; A43-L113 HydrophobicContact CB-CD2 3.75Å; A43-L113 HydrophobicContact CB-CG 4.07Å; A75-L113 HydrophobicContact CB-CD1 3.52Å; A75-L113 WeakPolarHBondContact O-CD1 3.43Å; F77-L113 HydrophobicContact CB-CB 4.02Å; F77-L113 HydrophobicContact CB-CD1 4.11Å; F77-L113 WeakPolarHBondContact CD1-O 3.39Å; F77-L113 HydrophobicContact CG-CB 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.22Å; L109-L113 PolarHBondContact O-N 3.4Å; E110-L113 PolarHBondContact O-N 2.92Å
114	T	96.9	Very high	97.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	22	-178.7	65.9	0	0	0	0	113.2	F77 L89 E110 T111 N112 S116 L117 T118	F77-T114 HydrophobicContact CD1-CG2 4.41Å; F77-T114 HydrophobicContact CD2-CG2 3.58Å; F77-T114 HydrophobicContact CE2-CG2 3.71Å; F77-T114 HydrophobicContact CG-CG2 3.99Å; F77-T114 HydrophobicContact CZ-CG2 4.24Å; L89-T114 HydrophobicContact CD1-CG2 4.34Å; L89-T114 HydrophobicContact CD2-CG2 4.49Å; E110-T114 WeakPolarHBondContact O-CB 3.4Å; E110-T114 WeakPolarHBondContact O-CG2 3.22Å; E110-T114 PolarHBondContact O-N 2.83Å; E110-T114 PolarHBondContact O-OG1 3.01Å; T111-T114 CarbonylContact O-C 3.19Å; T111-T114 PolarHBondContact O-N 3.33Å; N112-T114 VanDerWaalsContact C-N 3.34Å; T114-S116 PolarHBondContact O-N 3.29Å; T114-L117 WeakPolarHBondContact O-CB 3.3Å; T114-L117 PolarHBondContact O-N 2.58Å; T114-T118 WeakPolarHBondContact O-CB 3.47Å; T114-T118 PolarHBondContact O-N 3.04Å; T114-T118 PolarHBondContact O-OG1 2.91Å; T114-T118 PolarHBondContact OG1-OG1 3.43Å
115	L	97.4	Very high	97.5	Very high	22 Å²	22	15.4 Å²	15.4	12%	0.115	9%	0.086	C	C	.	.	H	α-helix	trans	-62.1	-42.8	-167.6	-176.3	62.2	0	0	0	113.2	T111 L117 T118 V119 F183	T111-L115 VanDerWaalsContact O-CA 3.23Å; T111-L115 WeakPolarHBondContact O-CA 3.2Å; T111-L115 WeakPolarHBondContact O-CB 3.27Å; T111-L115 PolarHBondContact O-N 2.96Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 2.8Å; L115-T118 PolarHBondContact O-N 2.72Å; L115-V119 HydrophobicContact CD1-CG2 4.17Å; L115-V119 HydrophobicContact CG-CG2 4.44Å; L115-V119 WeakPolarHBondContact O-CG2 3.5Å; L115-V119 PolarHBondContact O-N 3Å; L115-F183 HydrophobicContact CD1-CD2 4.26Å
116	S	96.7	Very high	97.4	Very high	60 Å²	60	15.7 Å²	15.7	42%	0.42	9%	0.088	S	C	.	.	H	α-helix	trans	-57.7	-47.5	177.4	51	0	0	0	0	111.8	T114 S120	T114-S116 PolarHBondContact O-N 3.29Å; S116-S120 WeakPolarHBondContact O-CB 3.37Å; S116-S120 PolarHBondContact O-N 2.85Å; S116-S120 PolarHBondContact O-OG 2.76Å
117	L	97.3	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-42.2	176.1	-97.3	153.6	0	0	0	112.6	F77 E79 I81 T114 L115 S120 Q121 L272 P304 M570	F77-L117 HydrophobicContact CE1-CD1 4.11Å; F77-L117 HydrophobicContact CE2-CD1 4.04Å; F77-L117 HydrophobicContact CZ-CD1 3.28Å; E79-L117 HydrophobicContact CG-CD1 4.01Å; I81-L117 HydrophobicContact CD1-CD1 4.11Å; I81-L117 HydrophobicContact CD1-CD2 3.21Å; I81-L117 HydrophobicContact CD1-CG 4.17Å; T114-L117 WeakPolarHBondContact O-CB 3.3Å; T114-L117 PolarHBondContact O-N 2.58Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 2.8Å; L117-S120 PolarHBondContact O-N 3.03Å; L117-Q121 WeakPolarHBondContact O-CB 3.44Å; L117-Q121 PolarHBondContact O-N 3.32Å; L117-L272 HydrophobicContact CD2-CB 3.9Å; L117-L272 HydrophobicContact CD2-CD1 4.06Å; L117-L272 HydrophobicContact CD2-CD2 3.98Å; L117-L272 HydrophobicContact CD2-CG 4.19Å; L117-P304 HydrophobicContact CB-CB 3.95Å; L117-P304 HydrophobicContact CB-CG 3.73Å; L117-P304 HydrophobicContact CD2-CG 3.71Å; L117-P304 HydrophobicContact CG-CG 4.32Å; L117-M570 HydrophobicContact CG-CE 4Å; L117-M570 HydrophobicContact CG-SD 4.36Å
118	T	98.2	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-45.5	178.8	-60.2	0	0	0	0	111.4	T111 T114 L115 S120 Q121 W122 F183 T305	T111-T118 HydrophobicContact CG2-CG2 4.36Å; T114-T118 WeakPolarHBondContact O-CB 3.47Å; T114-T118 PolarHBondContact O-N 3.04Å; T114-T118 PolarHBondContact O-OG1 2.91Å; T114-T118 PolarHBondContact OG1-OG1 3.43Å; L115-T118 PolarHBondContact O-N 2.72Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 2.93Å; T118-Q121 PolarHBondContact O-N 2.79Å; T118-W122 VanDerWaalsContact O-CB 3.31Å; T118-W122 WeakPolarHBondContact O-CB 3.27Å; T118-W122 PolarHBondContact O-N 2.97Å; T118-F183 HydrophobicContact CG2-CD2 3.73Å; T118-F183 HydrophobicContact CG2-CE2 4.01Å; T118-T305 HydrophobicContact CG2-CG2 3.98Å; T118-T305 WeakPolarHBondContact CG2-OG1 3.21Å; T118-T305 WeakPolarHBondContact OG1-CB 3.48Å; T118-T305 PolarHBondContact OG1-OG1 3.05Å
119	V	98.2	Very high	96.9	Very high	57 Å²	57	21.4 Å²	21.4	35%	0.345	11%	0.114	S	C	.	.	H	α-helix	trans	-61.4	-42.2	175.6	169.7	0	0	0	0	110.8	L115 W122 I123 F183	L115-V119 HydrophobicContact CD1-CG2 4.17Å; L115-V119 HydrophobicContact CG-CG2 4.44Å; L115-V119 WeakPolarHBondContact O-CG2 3.5Å; L115-V119 PolarHBondContact O-N 3Å; V119-W122 WeakPolarHBondContact O-CB 3.49Å; V119-W122 PolarHBondContact O-N 3.15Å; V119-I123 HydrophobicContact CG1-CD1 3.81Å; V119-I123 WeakPolarHBondContact O-CD1 3.3Å; V119-I123 VanDerWaalsContact O-CG1 3.31Å; V119-I123 WeakPolarHBondContact O-CG1 3.46Å; V119-I123 PolarHBondContact O-N 3.26Å; V119-F183 HydrophobicContact CG2-CE2 3.93Å
120	S	98.1	Very high	96.8	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-46.6	176.9	-62.6	0	0	0	0	111.5	S116 L117 T118 W122 I123 N124 M570	S116-S120 WeakPolarHBondContact O-CB 3.37Å; S116-S120 PolarHBondContact O-N 2.85Å; S116-S120 PolarHBondContact O-OG 2.76Å; L117-S120 PolarHBondContact O-N 3.03Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 2.93Å; S120-W122 VanDerWaalsContact C-N 3.32Å; S120-W122 PolarHBondContact O-N 3.39Å; S120-I123 PolarHBondContact O-N 3.33Å; S120-N124 VanDerWaalsContact O-CB 3.27Å; S120-N124 WeakPolarHBondContact O-CB 3.42Å; S120-N124 PolarHBondContact O-N 3.33Å; S120-N124 PolarHBondContact O-ND2 3.31Å; S120-N124 PolarHBondContact O-OD1 3.01Å; S120-M570 VanDerWaalsContact OG-CG 3.3Å; S120-M570 WeakPolarHBondContact OG-CG 3.25Å; S120-M570 PolarHBondContact OG-SD 2.82Å
121	Q	97.6	Very high	96.6	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-41.5	176.4	-174.1	67.2	3.7	0	0	111.7	L117 T118 N124 T125 L212 L272 P304	L117-Q121 WeakPolarHBondContact O-CB 3.44Å; L117-Q121 PolarHBondContact O-N 3.32Å; T118-Q121 PolarHBondContact O-N 2.79Å; Q121-N124 PolarHBondContact O-N 2.89Å; Q121-T125 WeakPolarHBondContact O-CB 3.45Å; Q121-T125 WeakPolarHBondContact O-CG2 3.44Å; Q121-T125 PolarHBondContact O-N 2.85Å; Q121-T125 VanDerWaalsContact O-N 3.17Å; Q121-T125 PolarHBondContact O-OG1 2.86Å; Q121-L212 HydrophobicContact CG-CD2 4.36Å; Q121-L272 HydrophobicContact CB-CD1 4.22Å; Q121-P304 HydrophobicContact CB-CG 4.38Å
122	W	97.3	Very high	96.3	Very high	37 Å²	37	33.9 Å²	33.9	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-49.8	174.4	174.2	-106.2	0	0	0	111.6	T118 V119 S120 T125 V126 K127 F183 G208 L211 L212	T118-W122 VanDerWaalsContact O-CB 3.31Å; T118-W122 WeakPolarHBondContact O-CB 3.27Å; T118-W122 PolarHBondContact O-N 2.97Å; V119-W122 WeakPolarHBondContact O-CB 3.49Å; V119-W122 PolarHBondContact O-N 3.15Å; S120-W122 VanDerWaalsContact C-N 3.32Å; S120-W122 PolarHBondContact O-N 3.39Å; W122-T125 PolarHBondContact O-N 3.36Å; W122-V126 HydrophobicContact CD2-CG2 4.23Å; W122-V126 HydrophobicContact CE3-CG2 3.39Å; W122-V126 HydrophobicContact CH2-CG2 4.13Å; W122-V126 HydrophobicContact CZ3-CB 4.49Å; W122-V126 HydrophobicContact CZ3-CG2 3.34Å; W122-V126 PolarHBondContact O-N 3.37Å; W122-V126 VanDerWaalsContact O-N 3.14Å; W122-K127 HydrophobicContact CD2-CB 4.36Å; W122-K127 HydrophobicContact CG-CB 4.15Å; W122-K127 VanDerWaalsContact O-CB 3.26Å; W122-K127 WeakPolarHBondContact O-CB 3.43Å; W122-K127 PolarHBondContact O-N 3.08Å; W122-F183 HydrophobicContact CB-CE2 4.49Å; W122-F183 HydrophobicContact CB-CZ 4.42Å; W122-F183 HydrophobicContact CD2-CZ 4.4Å; W122-F183 HydrophobicContact CG-CZ 4.05Å; W122-G208 VanDerWaalsContact CZ3-O 3.26Å; W122-G208 WeakPolarHBondContact CZ3-O 3.43Å; W122-L211 HydrophobicContact CH2-CD1 4.14Å; W122-L211 HydrophobicContact CZ3-CB 4.3Å; W122-L211 HydrophobicContact CZ3-CD1 4.43Å; W122-L212 HydrophobicContact CE3-CD1 4.29Å; W122-L212 HydrophobicContact CE3-CD2 4.3Å; W122-L212 HydrophobicContact CE3-CG 4.07Å
123	I	97.2	Very high	96.2	Very high	42 Å²	42	37.3 Å²	37.3	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-44.1	176.7	-68.3	161.7	0	0	0	111.6	V119 S120 T125 K127 N235 L237 L569	V119-I123 HydrophobicContact CG1-CD1 3.81Å; V119-I123 WeakPolarHBondContact O-CD1 3.3Å; V119-I123 VanDerWaalsContact O-CG1 3.31Å; V119-I123 WeakPolarHBondContact O-CG1 3.46Å; V119-I123 PolarHBondContact O-N 3.26Å; S120-I123 PolarHBondContact O-N 3.33Å; I123-T125 PolarHBondContact O-N 2.9Å; I123-T125 VanDerWaalsContact O-N 3.16Å; I123-K127 HydrophobicContact CB-CD 4.33Å; I123-K127 HydrophobicContact CG1-CD 3.55Å; I123-N235 PolarHBondContact O-ND2 3.28Å; I123-L237 HydrophobicContact CG2-CD1 4.09Å; I123-L569 HydrophobicContact CB-CD1 3.91Å; I123-L569 HydrophobicContact CD1-CD1 3.49Å; I123-L569 VanDerWaalsContact CD1-CD1 3.49Å; I123-L569 HydrophobicContact CG1-CD1 4.28Å; I123-L569 HydrophobicContact CG2-CD1 3.63Å; I123-L569 HydrophobicContact CG2-CG 4.25Å
124	N	96.5	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-19.7	-176.8	-67.8	-11.9	0	0	0	113.3	S120 Q121 N235 P568 L569	S120-N124 VanDerWaalsContact O-CB 3.27Å; S120-N124 WeakPolarHBondContact O-CB 3.42Å; S120-N124 PolarHBondContact O-N 3.33Å; S120-N124 PolarHBondContact O-ND2 3.31Å; S120-N124 PolarHBondContact O-OD1 3.01Å; Q121-N124 PolarHBondContact O-N 2.89Å; N124-N235 PolarHBondContact O-ND2 3Å; N124-P568 HydrophobicContact CB-CB 4.05Å; N124-P568 WeakPolarHBondContact ND2-CB 3.48Å; N124-P568 WeakPolarHBondContact OD1-CA 3.34Å; N124-P568 WeakPolarHBondContact OD1-CB 3.4Å; N124-L569 PolarHBondContact ND2-N 3.18Å; N124-L569 PolarHBondContact ND2-O 3.28Å; N124-L569 PolarHBondContact OD1-N 2.94Å
125	T	95.3	Very high	96.2	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.043	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-84.5	-170.8	60.6	0	0	0	0	112.1	Q121 W122 I123 L212 N235 I270	Q121-T125 WeakPolarHBondContact O-CB 3.45Å; Q121-T125 WeakPolarHBondContact O-CG2 3.44Å; Q121-T125 PolarHBondContact O-N 2.85Å; Q121-T125 VanDerWaalsContact O-N 3.17Å; Q121-T125 PolarHBondContact O-OG1 2.86Å; W122-T125 PolarHBondContact O-N 3.36Å; I123-T125 PolarHBondContact O-N 2.9Å; I123-T125 VanDerWaalsContact O-N 3.16Å; T125-L212 WeakPolarHBondContact OG1-CD2 3.44Å; T125-N235 PolarHBondContact O-ND2 2.92Å; T125-I270 HydrophobicContact CG2-CG2 3.72Å
126	V	94.9	Very high	96.1	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-2.9	-160.7	-63.7	0	0	0	0	114.5	W122 D128 M129 L211 L212	W122-V126 HydrophobicContact CD2-CG2 4.23Å; W122-V126 HydrophobicContact CE3-CG2 3.39Å; W122-V126 HydrophobicContact CH2-CG2 4.13Å; W122-V126 HydrophobicContact CZ3-CB 4.49Å; W122-V126 HydrophobicContact CZ3-CG2 3.34Å; W122-V126 PolarHBondContact O-N 3.37Å; W122-V126 VanDerWaalsContact O-N 3.14Å; V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 2.93Å; V126-D128 VanDerWaalsContact O-N 3.16Å; V126-M129 HydrophobicContact CB-CB 4.41Å; V126-M129 HydrophobicContact CB-CE 4.28Å; V126-M129 HydrophobicContact CG1-CE 4.23Å; V126-M129 WeakPolarHBondContact O-CA 3.49Å; V126-M129 WeakPolarHBondContact O-CB 3.47Å; V126-M129 PolarHBondContact O-N 3.34Å; V126-L211 HydrophobicContact CB-CB 4.49Å; V126-L211 HydrophobicContact CG2-CB 4.16Å; V126-L212 HydrophobicContact CG2-CD2 3.69Å; V126-L212 HydrophobicContact CG2-CG 4.28Å
127	K	95.3	Very high	96.2	Very high	94 Å²	94	45.8 Å²	45.8	41%	0.409	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.5	-177.2	173.8	177.2	-178.7	-38.6	0	114.4	W122 I123 M129	W122-K127 HydrophobicContact CD2-CB 4.36Å; W122-K127 HydrophobicContact CG-CB 4.15Å; W122-K127 VanDerWaalsContact O-CB 3.26Å; W122-K127 WeakPolarHBondContact O-CB 3.43Å; W122-K127 PolarHBondContact O-N 3.08Å; I123-K127 HydrophobicContact CB-CD 4.33Å; I123-K127 HydrophobicContact CG1-CD 3.55Å; K127-M129 VanDerWaalsContact C-N 3.29Å
128	D	95.7	Very high	96.2	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.144	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.7	-178	-58.8	-50.1	0	0	0	112	V126 N235 K236 F241	V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 2.93Å; V126-D128 VanDerWaalsContact O-N 3.16Å; D128-N235 HydrophobicContact CB-CB 4.07Å; D128-K236 HydrophobicContact CB-CG 4.48Å; D128-K236 IonicContact OD1-NZ 2.77Å; D128-K236 VanDerWaalsContact OD2-CB 3.32Å; D128-K236 WeakPolarHBondContact OD2-CB 3.24Å; D128-K236 VanDerWaalsContact OD2-CG 3.28Å; D128-K236 WeakPolarHBondContact OD2-CG 3.3Å; D128-K236 PolarHBondContact OD2-N 2.97Å; D128-F241 HydrophobicContact CB-CE1 4.16Å; D128-F241 HydrophobicContact CB-CZ 4.43Å; D128-F241 WeakPolarHBondContact O-CZ 3.48Å
129	M	95	Very high	96.2	Very high	7 Å²	7	51 Å²	51	3%	0.034	27%	0.271	C	S	.	.	S	Bend	trans	-75.4	129.8	170	-168.3	172.1	68.5	0	0	108.4	V126 K127 L211 L218 L230 F241	V126-M129 HydrophobicContact CB-CB 4.41Å; V126-M129 HydrophobicContact CB-CE 4.28Å; V126-M129 HydrophobicContact CG1-CE 4.23Å; V126-M129 WeakPolarHBondContact O-CA 3.49Å; V126-M129 WeakPolarHBondContact O-CB 3.47Å; V126-M129 PolarHBondContact O-N 3.34Å; K127-M129 VanDerWaalsContact C-N 3.29Å; M129-L211 HydrophobicContact CE-CB 4.26Å; M129-L211 HydrophobicContact CE-CD1 3.61Å; M129-L211 HydrophobicContact CE-CD2 3.73Å; M129-L211 HydrophobicContact CE-CG 4.07Å; M129-L218 HydrophobicContact CE-CD2 3.86Å; M129-L218 HydrophobicContact SD-CD2 3.94Å; M129-L230 HydrophobicContact CG-CD2 3.93Å; M129-F241 HydrophobicContact CB-CD1 3.88Å; M129-F241 HydrophobicContact CB-CD2 4.28Å; M129-F241 HydrophobicContact CB-CE1 4.02Å; M129-F241 HydrophobicContact CB-CE2 4.44Å; M129-F241 HydrophobicContact CB-CG 4.02Å; M129-F241 HydrophobicContact CB-CZ 4.32Å; M129-F241 HydrophobicContact CG-CB 4.39Å; M129-F241 HydrophobicContact CG-CD1 4.46Å; M129-F241 HydrophobicContact CG-CD2 4.07Å; M129-F241 HydrophobicContact CG-CE2 4.46Å; M129-F241 HydrophobicContact CG-CG 4.09Å; M129-F241 HydrophobicContact SD-CB 3.94Å; M129-F241 HydrophobicContact SD-CG 4.29Å
130	C	95.8	Very high	96.2	Very high	15 Å²	15	51.2 Å²	51.2	10%	0.101	27%	0.272	C	S	.	.	S	Bend	trans	55	57.7	178.6	-62.7	0	0	0	0	115.4	L134 C138 M207	C130-L134 HydrophobicContact CB-CD2 4.07Å; C130-L134 WeakPolarHBondContact O-CD2 3.47Å; C130-C138 WeakPolarHBondContact CA-SG 3.44Å; C130-C138 HydrophobicContact CB-CB 3.63Å; C130-C138 WeakPolarHBondContact CB-SG 3.48Å; C130-C138 VanDerWaalsContact SG-CA 3.56Å; C130-C138 WeakPolarHBondContact SG-CB 3.5Å; C130-C138 CovalentContact SG-SG 2.04Å; C130-C138 PolarHBondContact SG-SG 2.82Å; C130-M207 HydrophobicContact CB-SD 4.29Å
131	P	93.8	Very high	96.2	Very high	85 Å²	85	50.6 Å²	50.6	55%	0.552	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-63.8	156.7	172.1	31.6	-35.7	0	0	0	111	P133	P131-P133 CarbonylContact O-C 3.58Å
132	I	92.7	Very high	96.2	Very high	163 Å²	163	53.4 Å²	53.4	84%	0.836	28%	0.281	S	S	*	.	S	Bend	trans	-85.7	136.5	174.1	-62.8	175.5	0	0	0	109.3
133	P	95.5	Very high	96.3	Very high	119 Å²	119	58 Å²	58	77%	0.773	30%	0.302	S	S	*	.	S	Bend	cis	-70.3	145.2	-3.9	30.7	-35.4	0	0	0	112.5	P131	P131-P133 CarbonylContact O-C 3.58Å
134	L	95.2	Very high	96.3	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.225	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.4	-176	-61.8	-177.3	0	0	0	111.4	C130 C138 E139 Q142	C130-L134 HydrophobicContact CB-CD2 4.07Å; C130-L134 WeakPolarHBondContact O-CD2 3.47Å; L134-C138 HydrophobicContact CB-CB 4.09Å; L134-C138 HydrophobicContact CD2-CB 4.14Å; L134-E139 HydrophobicContact CB-CG 3.94Å; L134-E139 HydrophobicContact CD1-CG 4.47Å; L134-Q142 HydrophobicContact CD1-CB 4.48Å
135	S	95.8	Very high	96.4	Very high	52 Å²	52	56.4 Å²	56.4	36%	0.364	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-74.8	162.4	166.4	74.4	0	0	0	0	110.6	D137 C138 E139	S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 3.46Å; S135-C138 CarbonylContact O-C 3.23Å; S135-C138 WeakPolarHBondContact O-CA 3.24Å; S135-C138 WeakPolarHBondContact O-CB 3.12Å; S135-C138 PolarHBondContact O-N 2.97Å; S135-C138 PolarHBondContact OG-N 3.16Å; S135-C138 PolarHBondContact OG-SG 2.87Å; S135-C138 VanDerWaalsContact OG-SG 3.38Å; S135-E139 WeakPolarHBondContact O-CG 3.43Å; S135-E139 PolarHBondContact O-N 2.95Å
136	K	97	Very high	96.6	Very high	164 Å²	164	57 Å²	57	71%	0.713	30%	0.298	S	S	*	.	H	α-helix	trans	-53.9	-41.5	175.4	-174.1	176.2	-178.1	177.3	0	113.2	C138 E139 V140	K136-C138 VanDerWaalsContact C-N 3.29Å; K136-C138 PolarHBondContact O-N 2.86Å; K136-E139 PolarHBondContact O-N 3.3Å; K136-V140 WeakPolarHBondContact O-CG2 3.47Å; K136-V140 PolarHBondContact O-N 3.49Å; K136-V140 VanDerWaalsContact O-N 3.13Å
137	D	97.5	Very high	96.8	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-36.5	177.2	-81.6	15.5	0	0	0	111.4	S135 L141 V227 P228 T229 L230	S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 3.46Å; D137-L141 PolarHBondContact O-N 2.89Å; D137-L141 VanDerWaalsContact O-N 3.13Å; D137-V227 HydrophobicContact CB-CB 3.83Å; D137-V227 HydrophobicContact CB-CG1 3.89Å; D137-V227 WeakPolarHBondContact OD2-CA 3.31Å; D137-P228 WeakPolarHBondContact OD2-CD 3.26Å; D137-T229 VanDerWaalsContact CB-OG1 3.29Å; D137-T229 WeakPolarHBondContact CB-OG1 3.44Å; D137-T229 WeakPolarHBondContact OD2-CB 3.36Å; D137-T229 WeakPolarHBondContact OD2-CG2 3.39Å; D137-T229 PolarHBondContact OD2-N 2.86Å; D137-T229 PolarHBondContact OD2-OG1 2.75Å; D137-L230 HydrophobicContact CB-CD1 4.36Å; D137-L230 HydrophobicContact CB-CG 4.18Å
138	C	97.6	Very high	97	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-72.1	-37	176	-72.8	0	0	0	0	113.5	C130 L134 S135 K136 V140 L141 Q142	C130-C138 WeakPolarHBondContact CA-SG 3.44Å; C130-C138 HydrophobicContact CB-CB 3.63Å; C130-C138 WeakPolarHBondContact CB-SG 3.48Å; C130-C138 VanDerWaalsContact SG-CA 3.56Å; C130-C138 WeakPolarHBondContact SG-CB 3.5Å; C130-C138 CovalentContact SG-SG 2.04Å; C130-C138 PolarHBondContact SG-SG 2.82Å; L134-C138 HydrophobicContact CB-CB 4.09Å; L134-C138 HydrophobicContact CD2-CB 4.14Å; S135-C138 CarbonylContact O-C 3.23Å; S135-C138 WeakPolarHBondContact O-CA 3.24Å; S135-C138 WeakPolarHBondContact O-CB 3.12Å; S135-C138 PolarHBondContact O-N 2.97Å; S135-C138 PolarHBondContact OG-N 3.16Å; S135-C138 PolarHBondContact OG-SG 2.87Å; S135-C138 VanDerWaalsContact OG-SG 3.38Å; K136-C138 VanDerWaalsContact C-N 3.29Å; K136-C138 PolarHBondContact O-N 2.86Å; C138-V140 VanDerWaalsContact C-N 3.3Å; C138-V140 PolarHBondContact O-N 3.48Å; C138-L141 PolarHBondContact O-N 3.39Å; C138-Q142 WeakPolarHBondContact O-CB 3.32Å; C138-Q142 PolarHBondContact O-N 3.38Å
139	E	98	Very high	97.1	Very high	109 Å²	109	53.6 Å²	53.6	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-41.1	173.2	-68.5	173.1	164.8	0	0	111.1	L134 S135 K136 Q142 K143	L134-E139 HydrophobicContact CB-CG 3.94Å; L134-E139 HydrophobicContact CD1-CG 4.47Å; S135-E139 WeakPolarHBondContact O-CG 3.43Å; S135-E139 PolarHBondContact O-N 2.95Å; K136-E139 PolarHBondContact O-N 3.3Å; E139-Q142 PolarHBondContact O-N 2.95Å; E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 3.43Å
140	V	98.3	Very high	97.3	Very high	60 Å²	60	54.4 Å²	54.4	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-47.1	174.7	171.4	0	0	0	0	111	K136 C138 Y144 L225 V227	K136-V140 WeakPolarHBondContact O-CG2 3.47Å; K136-V140 PolarHBondContact O-N 3.49Å; K136-V140 VanDerWaalsContact O-N 3.13Å; C138-V140 VanDerWaalsContact C-N 3.3Å; C138-V140 PolarHBondContact O-N 3.48Å; V140-Y144 PolarHBondContact O-N 2.97Å; V140-Y144 VanDerWaalsContact O-N 3.12Å; V140-L225 HydrophobicContact CG1-CB 4.24Å; V140-L225 HydrophobicContact CG1-CD1 4.4Å; V140-V227 HydrophobicContact CB-CG1 4.12Å; V140-V227 HydrophobicContact CG1-CG1 4Å
141	L	98.2	Very high	97.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-47.2	177.3	-179.2	62.5	0	0	0	111.5	D137 C138 K143 Y144 L145 M207 L218 L221 L225 L230	D137-L141 PolarHBondContact O-N 2.89Å; D137-L141 VanDerWaalsContact O-N 3.13Å; C138-L141 PolarHBondContact O-N 3.39Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.22Å; L141-Y144 PolarHBondContact O-N 3.36Å; L141-L145 HydrophobicContact CD1-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CD2 4.41Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CG-CD1 3.95Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.12Å; L141-M207 HydrophobicContact CB-CE 4.01Å; L141-M207 HydrophobicContact CD2-CE 3.98Å; L141-M207 HydrophobicContact CG-CE 3.75Å; L141-L218 HydrophobicContact CD1-CD1 4.3Å; L141-L218 HydrophobicContact CD2-CD1 4.17Å; L141-L221 HydrophobicContact CD1-CD2 3.65Å; L141-L221 HydrophobicContact CD1-CG 4.21Å; L141-L225 HydrophobicContact CD1-CD1 4.09Å; L141-L230 HydrophobicContact CB-CD1 4.1Å; L141-L230 HydrophobicContact CD2-CD1 3.8Å
142	Q	98.1	Very high	97.7	Very high	64 Å²	64	51.2 Å²	51.2	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-56.4	-50.2	179.4	-167.5	-179.6	37.2	0	0	110.6	L134 C138 E139 Y144 L145 S146 V206 M207	L134-Q142 HydrophobicContact CD1-CB 4.48Å; C138-Q142 WeakPolarHBondContact O-CB 3.32Å; C138-Q142 PolarHBondContact O-N 3.38Å; E139-Q142 PolarHBondContact O-N 2.95Å; Q142-Y144 VanDerWaalsContact C-N 3.34Å; Q142-Y144 PolarHBondContact O-N 3.4Å; Q142-L145 PolarHBondContact O-N 2.97Å; Q142-S146 WeakPolarHBondContact O-CB 3.32Å; Q142-S146 PolarHBondContact O-N 3.37Å; Q142-S146 PolarHBondContact O-OG 3.41Å; Q142-V206 HydrophobicContact CG-CG2 4.22Å; Q142-M207 HydrophobicContact CB-CE 3.56Å; Q142-M207 HydrophobicContact CB-CG 4.39Å; Q142-M207 HydrophobicContact CG-CE 4.18Å; Q142-M207 HydrophobicContact CG-CG 4.02Å
143	K	98.5	Very high	98	Very high	132 Å²	132	43.5 Å²	43.5	57%	0.574	23%	0.226	S	C	*	.	H	α-helix	trans	-57.3	-47.7	178.9	-178.4	-179.8	176.1	-177	0	111.7	E139 L141 L145 S146 E147	E139-K143 WeakPolarHBondContact O-CB 3.49Å; E139-K143 PolarHBondContact O-N 3.43Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.22Å; K143-L145 PolarHBondContact O-N 3.25Å; K143-S146 PolarHBondContact O-N 3.36Å; K143-E147 WeakPolarHBondContact CE-OE1 3.29Å; K143-E147 HydrophobicContact CG-CG 4.48Å; K143-E147 WeakPolarHBondContact O-CB 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.37Å
144	Y	98.7	Very high	98.1	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-47.2	179.6	-173.9	-78.5	0	0	0	111.4	V140 L141 Q142 E147 N148 L221 L225 V338 G341 S342 F347	V140-Y144 PolarHBondContact O-N 2.97Å; V140-Y144 VanDerWaalsContact O-N 3.12Å; L141-Y144 PolarHBondContact O-N 3.36Å; Q142-Y144 VanDerWaalsContact C-N 3.34Å; Q142-Y144 PolarHBondContact O-N 3.4Å; Y144-E147 PolarHBondContact O-N 3.4Å; Y144-N148 WeakPolarHBondContact O-CB 3.43Å; Y144-N148 PolarHBondContact O-N 3.09Å; Y144-L221 HydrophobicContact CD1-CD1 3.74Å; Y144-L221 HydrophobicContact CD1-CD2 4.26Å; Y144-L221 HydrophobicContact CE1-CD1 3.51Å; Y144-L221 HydrophobicContact CE1-CD2 4.47Å; Y144-L221 HydrophobicContact CE2-CD1 4.3Å; Y144-L221 HydrophobicContact CG-CD1 4.26Å; Y144-L225 HydrophobicContact CD2-CD1 4.35Å; Y144-L225 HydrophobicContact CD2-CD2 3.63Å; Y144-L225 HydrophobicContact CE2-CD2 4.16Å; Y144-L225 HydrophobicContact CG-CD1 4.09Å; Y144-L225 HydrophobicContact CG-CD2 4.21Å; Y144-V338 VanDerWaalsContact CE2-O 3.28Å; Y144-V338 WeakPolarHBondContact CE2-O 3.48Å; Y144-V338 PolarHBondContact OH-O 2.75Å; Y144-G341 WeakPolarHBondContact OH-CA 3.31Å; Y144-S342 PolarHBondContact OH-N 2.66Å; Y144-F347 HydrophobicContact CD1-CZ 4.39Å; Y144-F347 HydrophobicContact CE1-CE1 4.34Å; Y144-F347 AromaticContact CE1-CZ 3.87Å; Y144-F347 HydrophobicContact CE1-CZ 3.87Å
145	L	98.8	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-42.2	-178.4	-64.8	-179.2	0	0	0	112.1	L141 Q142 K143 N148 M149 V206 M207 Y210 L211 L214 L221 F347	L141-L145 HydrophobicContact CD1-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CD2 4.41Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CG-CD1 3.95Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.12Å; Q142-L145 PolarHBondContact O-N 2.97Å; K143-L145 PolarHBondContact O-N 3.25Å; L145-N148 PolarHBondContact O-N 3Å; L145-M149 WeakPolarHBondContact O-CB 3.35Å; L145-M149 PolarHBondContact O-N 3.26Å; L145-V206 HydrophobicContact CB-CB 3.85Å; L145-V206 HydrophobicContact CB-CG1 4.25Å; L145-V206 HydrophobicContact CB-CG2 3.86Å; L145-M207 HydrophobicContact CD1-CE 4.26Å; L145-Y210 HydrophobicContact CD2-CE1 4.36Å; L145-L211 HydrophobicContact CD1-CD2 3.88Å; L145-L214 HydrophobicContact CD1-CD1 3.72Å; L145-L214 HydrophobicContact CD2-CD1 3.57Å; L145-L214 HydrophobicContact CG-CD1 4.31Å; L145-L221 HydrophobicContact CD2-CD2 3.76Å; L145-F347 HydrophobicContact CD2-CE2 3.89Å; L145-F347 HydrophobicContact CD2-CZ 3.75Å
146	S	98.8	Very high	98.4	Very high	21 Å²	21	39.2 Å²	39.2	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-43	176.6	-66	0	0	0	0	111.8	Q142 K143 N148 M149 A150 I203 V206	Q142-S146 WeakPolarHBondContact O-CB 3.32Å; Q142-S146 PolarHBondContact O-N 3.37Å; Q142-S146 PolarHBondContact O-OG 3.41Å; K143-S146 PolarHBondContact O-N 3.36Å; S146-N148 VanDerWaalsContact C-N 3.29Å; S146-N148 PolarHBondContact O-N 3.31Å; S146-M149 PolarHBondContact O-N 3.1Å; S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 2.86Å; S146-I203 WeakPolarHBondContact CB-O 3.5Å; S146-I203 PolarHBondContact OG-O 3.24Å; S146-V206 WeakPolarHBondContact OG-CG2 3.24Å
147	E	98.8	Very high	98.4	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-40.1	173.9	-75.8	-176.3	162.5	0	0	111.7	K143 Y144 A150 Y151 S342 K343	K143-E147 WeakPolarHBondContact CE-OE1 3.29Å; K143-E147 HydrophobicContact CG-CG 4.48Å; K143-E147 WeakPolarHBondContact O-CB 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.37Å; Y144-E147 PolarHBondContact O-N 3.4Å; E147-A150 PolarHBondContact O-N 3.01Å; E147-Y151 WeakPolarHBondContact O-CB 3.4Å; E147-Y151 PolarHBondContact O-N 2.93Å; E147-S342 PolarHBondContact OE2-OG 3.44Å; E147-K343 IonicContact OE1-NZ 2.67Å; E147-K343 PolarHBondContact OE1-NZ 2.91Å; E147-K343 WeakPolarHBondContact OE2-CE 3.43Å
148	N	98.9	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-42.8	177.8	-172.5	-112.3	0	0	0	113.5	Y144 L145 S146 A150 Y151 M152 S342 S345 F347	Y144-N148 WeakPolarHBondContact O-CB 3.43Å; Y144-N148 PolarHBondContact O-N 3.09Å; L145-N148 PolarHBondContact O-N 3Å; S146-N148 VanDerWaalsContact C-N 3.29Å; S146-N148 PolarHBondContact O-N 3.31Å; N148-A150 VanDerWaalsContact C-N 3.33Å; N148-A150 PolarHBondContact O-N 2.67Å; N148-Y151 WeakPolarHBondContact O-CB 3.06Å; N148-Y151 PolarHBondContact O-N 3.14Å; N148-M152 WeakPolarHBondContact O-CE 3.1Å; N148-M152 WeakPolarHBondContact O-CG 3.46Å; N148-M152 PolarHBondContact O-N 2.99Å; N148-M152 WeakPolarHBondContact OD1-CE 3.3Å; N148-S342 WeakPolarHBondContact CA-O 3.41Å; N148-S342 WeakPolarHBondContact CB-O 3.21Å; N148-S342 PolarHBondContact N-O 2.68Å; N148-S342 PolarHBondContact ND2-O 2.94Å; N148-S345 PolarHBondContact ND2-O 3.49Å; N148-F347 HydrophobicContact CB-CE2 4.4Å; N148-F347 WeakPolarHBondContact OD1-CD2 3.05Å; N148-F347 WeakPolarHBondContact OD1-CE2 3.44Å
149	M	98.9	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-47.4	173.2	-171.6	63.4	68.8	0	0	110.9	L145 S146 Y151 M152 L153 L173 M202 I203 V206 Y210	L145-M149 WeakPolarHBondContact O-CB 3.35Å; L145-M149 PolarHBondContact O-N 3.26Å; S146-M149 PolarHBondContact O-N 3.1Å; M149-Y151 VanDerWaalsContact C-N 3.33Å; M149-Y151 PolarHBondContact O-N 2.85Å; M149-M152 PolarHBondContact O-N 3.42Å; M149-M152 HydrophobicContact SD-CE 4.34Å; M149-L153 HydrophobicContact CG-CD1 4.01Å; M149-L153 WeakPolarHBondContact O-CB 2.94Å; M149-L153 VanDerWaalsContact O-CG 3.28Å; M149-L153 WeakPolarHBondContact O-CG 3.43Å; M149-L153 PolarHBondContact O-N 2.96Å; M149-L173 HydrophobicContact CE-CD2 4.49Å; M149-L173 HydrophobicContact SD-CD2 3.66Å; M149-M202 HydrophobicContact CE-CB 4.45Å; M149-M202 HydrophobicContact CE-CE 3.78Å; M149-M202 HydrophobicContact CG-CB 3.93Å; M149-M202 HydrophobicContact SD-CB 3.95Å; M149-M202 HydrophobicContact SD-CE 4.3Å; M149-I203 HydrophobicContact CB-CG1 4.44Å; M149-I203 HydrophobicContact CG-CG1 4.16Å; M149-V206 HydrophobicContact CB-CG1 3.93Å; M149-V206 HydrophobicContact CE-CG1 4.14Å; M149-V206 HydrophobicContact CG-CG1 4.3Å; M149-Y210 HydrophobicContact CE-CD1 4.08Å; M149-Y210 HydrophobicContact CE-CD2 3.78Å; M149-Y210 HydrophobicContact CE-CE1 3.83Å; M149-Y210 HydrophobicContact CE-CE2 3.51Å; M149-Y210 HydrophobicContact CE-CG 4.06Å
150	A	98.9	Very high	98	Very high	24 Å²	24	38.1 Å²	38.1	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-39.8	177.8	0	0	0	0	0	112.4	S146 E147 N148 N154 I203	S146-A150 WeakPolarHBondContact O-CB 3.38Å; S146-A150 PolarHBondContact O-N 2.86Å; E147-A150 PolarHBondContact O-N 3.01Å; N148-A150 VanDerWaalsContact C-N 3.33Å; N148-A150 PolarHBondContact O-N 2.67Å; A150-N154 WeakPolarHBondContact O-CB 3.35Å; A150-N154 VanDerWaalsContact O-CG 3.23Å; A150-N154 PolarHBondContact O-N 3.46Å; A150-N154 PolarHBondContact O-ND2 3.15Å; A150-N154 VanDerWaalsContact O-ND2 3.08Å; A150-I203 HydrophobicContact CB-CD1 3.78Å; A150-I203 HydrophobicContact CB-CG1 4.07Å
151	Y	98.8	Very high	97.7	Very high	33 Å²	33	40.7 Å²	40.7	13%	0.129	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-53.1	174	169.3	-110.7	0	0	0	111.5	E147 N148 M149 L153 N154 E155 W166 K343 N372	E147-Y151 WeakPolarHBondContact O-CB 3.4Å; E147-Y151 PolarHBondContact O-N 2.93Å; N148-Y151 WeakPolarHBondContact O-CB 3.06Å; N148-Y151 PolarHBondContact O-N 3.14Å; M149-Y151 VanDerWaalsContact C-N 3.33Å; M149-Y151 PolarHBondContact O-N 2.85Å; Y151-L153 PolarHBondContact O-N 3.31Å; Y151-N154 PolarHBondContact O-N 3.43Å; Y151-E155 HydrophobicContact CD2-CG 3.84Å; Y151-E155 HydrophobicContact CE1-CG 4.42Å; Y151-E155 HydrophobicContact CE2-CG 3.32Å; Y151-E155 WeakPolarHBondContact O-CG 3.24Å; Y151-E155 PolarHBondContact O-N 2.97Å; Y151-W166 AromaticContact CE1-CH2 3.8Å; Y151-W166 HydrophobicContact CE1-CH2 3.8Å; Y151-W166 HydrophobicContact CE1-CZ2 4.42Å; Y151-W166 AromaticContact CZ-CH2 3.98Å; Y151-K343 WeakPolarHBondContact CD2-O 3.42Å; Y151-K343 WeakPolarHBondContact CE2-O 3.11Å; Y151-N372 PolarHBondContact OH-ND2 2.81Å
152	M	98.8	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-40.9	-177.7	-67.3	-177.8	-65.8	0	0	112.6	N148 M149 A156 W166 V169 L173 V346 M350	N148-M152 WeakPolarHBondContact O-CE 3.1Å; N148-M152 WeakPolarHBondContact O-CG 3.46Å; N148-M152 PolarHBondContact O-N 2.99Å; N148-M152 WeakPolarHBondContact OD1-CE 3.3Å; M149-M152 PolarHBondContact O-N 3.42Å; M149-M152 HydrophobicContact SD-CE 4.34Å; M152-A156 VanDerWaalsContact O-CB 3.24Å; M152-A156 WeakPolarHBondContact O-CB 3.36Å; M152-A156 PolarHBondContact O-N 2.82Å; M152-W166 HydrophobicContact CB-CZ3 4.47Å; M152-W166 HydrophobicContact CG-CZ3 4.5Å; M152-V169 HydrophobicContact CB-CG1 4.27Å; M152-L173 HydrophobicContact CB-CD1 4.1Å; M152-V346 HydrophobicContact CG-CG2 4.19Å; M152-V346 HydrophobicContact SD-CB 4.45Å; M152-V346 HydrophobicContact SD-CG1 4.06Å; M152-V346 HydrophobicContact SD-CG2 4.32Å; M152-M350 HydrophobicContact CE-CE 3.4Å; M152-M350 HydrophobicContact CE-SD 4.42Å; M152-M350 HydrophobicContact SD-CE 3.26Å; M152-M350 WeakPolarHBondContact SD-CE 3.35Å; M152-M350 HydrophobicContact SD-SD 3.84Å
153	L	98.8	Very high	97.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-49.7	174.9	-71.6	166.1	0	0	0	111.2	M149 Y151 E155 A156 Y157 L173 L199 I203	M149-L153 HydrophobicContact CG-CD1 4.01Å; M149-L153 WeakPolarHBondContact O-CB 2.94Å; M149-L153 VanDerWaalsContact O-CG 3.28Å; M149-L153 WeakPolarHBondContact O-CG 3.43Å; M149-L153 PolarHBondContact O-N 2.96Å; Y151-L153 PolarHBondContact O-N 3.31Å; L153-E155 PolarHBondContact O-N 3.26Å; L153-A156 PolarHBondContact O-N 3.26Å; L153-Y157 HydrophobicContact CB-CE2 3.99Å; L153-Y157 WeakPolarHBondContact O-CD2 3.13Å; L153-Y157 PolarHBondContact O-N 3.48Å; L153-L173 HydrophobicContact CD2-CD1 3.72Å; L153-L173 HydrophobicContact CG-CD1 4.08Å; L153-L199 HydrophobicContact CD2-CD2 3.53Å; L153-L199 HydrophobicContact CD2-CG 3.6Å; L153-I203 HydrophobicContact CD1-CD1 4.04Å; L153-I203 HydrophobicContact CD1-CG1 3.76Å
154	N	98.6	Very high	97.3	Very high	81 Å²	81	42.2 Å²	42.2	43%	0.433	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-43.2	-179.1	-76.8	-31	0	0	0	112.5	A150 Y151 Y157 K158	A150-N154 WeakPolarHBondContact O-CB 3.35Å; A150-N154 VanDerWaalsContact O-CG 3.23Å; A150-N154 PolarHBondContact O-N 3.46Å; A150-N154 PolarHBondContact O-ND2 3.15Å; A150-N154 VanDerWaalsContact O-ND2 3.08Å; Y151-N154 PolarHBondContact O-N 3.43Å; N154-Y157 PolarHBondContact O-N 3.31Å; N154-K158 VanDerWaalsContact O-CG 3.24Å; N154-K158 WeakPolarHBondContact O-CG 3.28Å; N154-K158 PolarHBondContact O-N 2.89Å
155	E	98.4	Very high	97.3	Very high	34 Å²	34	42 Å²	42	16%	0.159	21%	0.206	C	C	.	.	H	α-helix	trans	-70.3	-38.5	178.6	-65.3	-60.9	110.1	0	0	111.9	Y151 L153 Y157 K158 H159 W166	Y151-E155 HydrophobicContact CD2-CG 3.84Å; Y151-E155 HydrophobicContact CE1-CG 4.42Å; Y151-E155 HydrophobicContact CE2-CG 3.32Å; Y151-E155 WeakPolarHBondContact O-CG 3.24Å; Y151-E155 PolarHBondContact O-N 2.97Å; L153-E155 PolarHBondContact O-N 3.26Å; E155-Y157 VanDerWaalsContact C-N 3.33Å; E155-Y157 PolarHBondContact O-N 2.88Å; E155-K158 PolarHBondContact O-N 3.37Å; E155-K158 IonicContact OE1-NZ 3.39Å; E155-K158 PolarHBondContact OE1-NZ 3.5Å; E155-K158 VanDerWaalsContact OE1-NZ 3.15Å; E155-H159 WeakPolarHBondContact O-CB 3.4Å; E155-H159 PolarHBondContact O-N 3.08Å; E155-H159 IonicContact OE2-CD2 2.65Å; E155-H159 PolarHBondContact OE2-CD2 3.17Å; E155-H159 IonicContact OE2-NE2 2.65Å; E155-H159 PolarHBondContact OE2-NE2 2.87Å; E155-W166 HydrophobicContact CB-CD2 3.64Å; E155-W166 HydrophobicContact CB-CE3 3.6Å; E155-W166 HydrophobicContact CB-CG 4.46Å; E155-W166 HydrophobicContact CB-CH2 3.52Å; E155-W166 HydrophobicContact CB-CZ2 3.54Å; E155-W166 HydrophobicContact CB-CZ3 3.55Å; E155-W166 HydrophobicContact CG-CH2 3.92Å; E155-W166 HydrophobicContact CG-CZ2 3.85Å; E155-W166 HydrophobicContact CG-CZ3 4.39Å
156	A	97.9	Very high	97.3	Very high	9 Å²	9	42 Å²	42	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-43.3	173	0	0	0	0	0	111.9	M152 L153 G160	M152-A156 VanDerWaalsContact O-CB 3.24Å; M152-A156 WeakPolarHBondContact O-CB 3.36Å; M152-A156 PolarHBondContact O-N 2.82Å; L153-A156 PolarHBondContact O-N 3.26Å; A156-G160 WeakPolarHBondContact O-CA 3.44Å; A156-G160 PolarHBondContact O-N 2.96Å
157	Y	97.1	Very high	97.2	Very high	62 Å²	62	42 Å²	42	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-42	177.4	-58.1	-30.8	0	0	0	112.9	L153 N154 E155 H196 L199 N200	L153-Y157 HydrophobicContact CB-CE2 3.99Å; L153-Y157 WeakPolarHBondContact O-CD2 3.13Å; L153-Y157 PolarHBondContact O-N 3.48Å; N154-Y157 PolarHBondContact O-N 3.31Å; E155-Y157 VanDerWaalsContact C-N 3.33Å; E155-Y157 PolarHBondContact O-N 2.88Å; Y157-H196 AromaticContact CD1-CD2 3.89Å; Y157-H196 AromaticContact CD1-CE1 3.55Å; Y157-H196 AromaticContact CD1-CG 3.96Å; Y157-H196 AromaticContact CD1-ND1 3.74Å; Y157-H196 AromaticContact CD1-NE2 3.66Å; Y157-H196 HydrophobicContact CE1-CB 4.13Å; Y157-H196 AromaticContact CE1-CD2 3.44Å; Y157-H196 VanDerWaalsContact CE1-CD2 3.44Å; Y157-H196 WeakPolarHBondContact CE1-CD2 3.41Å; Y157-H196 AromaticContact CE1-CE1 3.92Å; Y157-H196 AromaticContact CE1-CG 3.58Å; Y157-H196 AromaticContact CE1-ND1 3.87Å; Y157-H196 AromaticContact CE1-NE2 3.69Å; Y157-H196 HydrophobicContact CE2-CB 4.33Å; Y157-H196 AromaticContact CZ-CG 3.84Å; Y157-H196 PolarHBondContact OH-O 3.48Å; Y157-L199 HydrophobicContact CE1-CD2 4.29Å; Y157-N200 VanDerWaalsContact CE2-OD1 3.3Å; Y157-N200 WeakPolarHBondContact CE2-OD1 3.15Å; Y157-N200 PolarHBondContact OH-OD1 3.4Å
158	K	96.6	Very high	97.2	Very high	134 Å²	134	39.4 Å²	39.4	58%	0.583	19%	0.191	S	C	*	.	H	α-helix	trans	-71.2	-34.5	-178.5	-72.2	169.3	-171.4	170.5	0	113.1	N154 E155	N154-K158 VanDerWaalsContact O-CG 3.24Å; N154-K158 WeakPolarHBondContact O-CG 3.28Å; N154-K158 PolarHBondContact O-N 2.89Å; E155-K158 PolarHBondContact O-N 3.37Å; E155-K158 IonicContact OE1-NZ 3.39Å; E155-K158 PolarHBondContact OE1-NZ 3.5Å; E155-K158 VanDerWaalsContact OE1-NZ 3.15Å
159	H	96.1	Very high	97.2	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.356	19%	0.191	S	C	.	.	H	α-helix	trans	-118.4	-11.9	-165.4	-60.7	-52	0	0	0	114.3	E155 E161 H162 N163 W166	E155-H159 WeakPolarHBondContact O-CB 3.4Å; E155-H159 PolarHBondContact O-N 3.08Å; E155-H159 IonicContact OE2-CD2 2.65Å; E155-H159 PolarHBondContact OE2-CD2 3.17Å; E155-H159 IonicContact OE2-NE2 2.65Å; E155-H159 PolarHBondContact OE2-NE2 2.87Å; H159-E161 PolarHBondContact O-N 2.83Å; H159-E161 VanDerWaalsContact O-N 3.11Å; H159-H162 PolarHBondContact O-N 3.31Å; H159-H162 VanDerWaalsContact O-N 3.08Å; H159-N163 HydrophobicContact CB-CB 3.99Å; H159-N163 WeakPolarHBondContact O-CB 3.38Å; H159-N163 PolarHBondContact O-N 3.02Å; H159-W166 HydrophobicContact CB-CB 3.87Å; H159-W166 HydrophobicContact CB-CG 3.93Å
160	G	93	Very high	97.2	Very high	6 Å²	6	39.9 Å²	39.9	6%	0.062	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.9	-174.3	0	0	0	0	0	115.9	A156 H162 Y167 N286	A156-G160 WeakPolarHBondContact O-CA 3.44Å; A156-G160 PolarHBondContact O-N 2.96Å; G160-H162 VanDerWaalsContact C-N 3.33Å; G160-Y167 WeakPolarHBondContact O-CB 3.44Å; G160-Y167 WeakPolarHBondContact O-CD2 3.2Å; G160-N286 PolarHBondContact O-N 3.08Å
161	E	90.7	Very high	97.2	Very high	114 Å²	114	38.9 Å²	38.9	53%	0.533	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.1	175.8	-64.2	-171.6	170.3	0	0	113.3	H159 N286	H159-E161 PolarHBondContact O-N 2.83Å; H159-E161 VanDerWaalsContact O-N 3.11Å; E161-N286 HydrophobicContact CG-CB 4.46Å
162	H	93.3	Very high	97.2	Very high	155 Å²	155	37.3 Å²	37.3	72%	0.718	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.7	-17.8	-170.4	-53.1	-36.7	0	0	0	114.4	H159 G160	H159-H162 PolarHBondContact O-N 3.31Å; H159-H162 VanDerWaalsContact O-N 3.08Å; G160-H162 VanDerWaalsContact C-N 3.33Å
163	N	96.2	Very high	97.2	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	18%	0.182	C	C	.	.			trans	-109	112.5	178.6	-173.9	-36.2	0	0	0	109.8	H159 F165 W166 Y167	H159-N163 HydrophobicContact CB-CB 3.99Å; H159-N163 WeakPolarHBondContact O-CB 3.38Å; H159-N163 PolarHBondContact O-N 3.02Å; N163-F165 VanDerWaalsContact C-N 3.28Å; N163-F165 PolarHBondContact O-N 3Å; N163-F165 WeakPolarHBondContact OD1-CB 3.26Å; N163-F165 PolarHBondContact OD1-N 2.9Å; N163-W166 HydrophobicContact CB-CB 4.32Å; N163-W166 PolarHBondContact O-N 2.69Å; N163-W166 PolarHBondContact OD1-N 3.32Å; N163-Y167 PolarHBondContact O-N 2.94Å
164	P	97.5	Very high	97.2	Very high	30 Å²	30	37.9 Å²	37.9	20%	0.195	18%	0.184	C	C	.	.	H	α-helix	trans	-54.8	-41	179.5	-27	34.2	0	0	0	113.9	Y167 Q168 T284 V285 L358	P164-Y167 PolarHBondContact O-N 2.89Å; P164-Q168 WeakPolarHBondContact O-CG 3.42Å; P164-Q168 PolarHBondContact O-N 2.98Å; P164-Q168 VanDerWaalsContact O-N 3.08Å; P164-T284 WeakPolarHBondContact CA-O 3.4Å; P164-T284 HydrophobicContact CB-CG2 3.73Å; P164-T284 HydrophobicContact CG-CG2 3.82Å; P164-V285 HydrophobicContact CB-CG1 4.25Å; P164-V285 HydrophobicContact CG-CG1 3.84Å; P164-L358 HydrophobicContact CB-CD1 3.9Å; P164-L358 HydrophobicContact CB-CD2 3.98Å
165	F	98.3	Very high	97.2	Very high	4 Å²	4	34 Å²	34	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-52.4	-178.8	176.7	-84.5	0	0	0	110.9	N163 Y167 Q168 V169 V346 R351 V354 Y371	N163-F165 VanDerWaalsContact C-N 3.28Å; N163-F165 PolarHBondContact O-N 3Å; N163-F165 WeakPolarHBondContact OD1-CB 3.26Å; N163-F165 PolarHBondContact OD1-N 2.9Å; F165-Y167 VanDerWaalsContact C-N 3.31Å; F165-Y167 PolarHBondContact O-N 2.81Å; F165-Q168 PolarHBondContact O-N 2.87Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CE1-CG2 3.62Å; F165-V169 HydrophobicContact CZ-CG2 4.04Å; F165-V169 WeakPolarHBondContact O-CG2 3.5Å; F165-V169 PolarHBondContact O-N 2.87Å; F165-V346 HydrophobicContact CE1-CG2 4.02Å; F165-V346 HydrophobicContact CZ-CB 4.24Å; F165-V346 HydrophobicContact CZ-CG1 4.35Å; F165-V346 HydrophobicContact CZ-CG2 4.08Å; F165-R351 HydrophobicContact CE2-CG 4.19Å; F165-R351 HydrophobicContact CZ-CG 4.05Å; F165-V354 HydrophobicContact CB-CG1 4.45Å; F165-V354 HydrophobicContact CD2-CB 4.43Å; F165-V354 HydrophobicContact CD2-CG1 3.54Å; F165-V354 HydrophobicContact CE2-CB 4.46Å; F165-V354 HydrophobicContact CE2-CG1 4.03Å; F165-V354 HydrophobicContact CG-CG1 4.14Å; F165-Y371 HydrophobicContact CB-CD1 4.2Å; F165-Y371 HydrophobicContact CB-CE1 4.46Å; F165-Y371 AromaticContact CD1-CD1 3.38Å; F165-Y371 HydrophobicContact CD1-CD1 3.38Å; F165-Y371 AromaticContact CD1-CE1 3.63Å; F165-Y371 HydrophobicContact CD1-CE1 3.63Å; F165-Y371 AromaticContact CD2-CD1 3.84Å; F165-Y371 HydrophobicContact CD2-CD1 3.84Å; F165-Y371 HydrophobicContact CD2-CG 4.46Å; F165-Y371 AromaticContact CE1-CD1 3.55Å; F165-Y371 HydrophobicContact CE1-CD1 3.55Å; F165-Y371 HydrophobicContact CE1-CE1 4Å; F165-Y371 AromaticContact CE2-CD1 3.99Å; F165-Y371 HydrophobicContact CE2-CD1 3.99Å; F165-Y371 AromaticContact CG-CD1 3.54Å; F165-Y371 HydrophobicContact CG-CD1 3.54Å; F165-Y371 HydrophobicContact CG-CE1 4.06Å; F165-Y371 HydrophobicContact CG-CG 4.48Å; F165-Y371 AromaticContact CZ-CD1 3.86Å; F165-Y371 HydrophobicContact CZ-CD1 3.86Å
166	W	98.1	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-29.9	-177.7	-76.9	122.7	0	0	0	112.9	Y151 M152 E155 H159 N163 V169 G170 V346 Y371	Y151-W166 AromaticContact CE1-CH2 3.8Å; Y151-W166 HydrophobicContact CE1-CH2 3.8Å; Y151-W166 HydrophobicContact CE1-CZ2 4.42Å; Y151-W166 AromaticContact CZ-CH2 3.98Å; M152-W166 HydrophobicContact CB-CZ3 4.47Å; M152-W166 HydrophobicContact CG-CZ3 4.5Å; E155-W166 HydrophobicContact CB-CD2 3.64Å; E155-W166 HydrophobicContact CB-CE3 3.6Å; E155-W166 HydrophobicContact CB-CG 4.46Å; E155-W166 HydrophobicContact CB-CH2 3.52Å; E155-W166 HydrophobicContact CB-CZ2 3.54Å; E155-W166 HydrophobicContact CB-CZ3 3.55Å; E155-W166 HydrophobicContact CG-CH2 3.92Å; E155-W166 HydrophobicContact CG-CZ2 3.85Å; E155-W166 HydrophobicContact CG-CZ3 4.39Å; H159-W166 HydrophobicContact CB-CB 3.87Å; H159-W166 HydrophobicContact CB-CG 3.93Å; N163-W166 HydrophobicContact CB-CB 4.32Å; N163-W166 PolarHBondContact O-N 2.69Å; N163-W166 PolarHBondContact OD1-N 3.32Å; W166-V169 HydrophobicContact CE3-CB 4.06Å; W166-V169 HydrophobicContact CE3-CG1 4.09Å; W166-V169 HydrophobicContact CE3-CG2 4.21Å; W166-V169 HydrophobicContact CZ3-CB 4.44Å; W166-V169 HydrophobicContact CZ3-CG1 4.06Å; W166-V169 HydrophobicContact CZ3-CG2 4.42Å; W166-G170 PolarHBondContact O-N 2.87Å; W166-V346 HydrophobicContact CH2-CG2 3.66Å; W166-V346 HydrophobicContact CZ3-CG2 3.92Å; W166-Y371 HydrophobicContact CZ2-CE1 4.44Å; W166-Y371 AromaticContact NE1-CE1 3.62Å
167	Y	98.1	Very high	97.2	Very high	21 Å²	21	32.2 Å²	32.2	8%	0.082	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-48.9	171.2	-171.1	-126.3	0	0	0	111.5	D99 G160 N163 P164 F165 V169 G170 L171 K283 T284 V285 N286	D99-Y167 WeakPolarHBondContact CB-OH 3.23Å; D99-Y167 PolarHBondContact OD2-OH 3.29Å; D99-Y167 VanDerWaalsContact OD2-OH 3.14Å; G160-Y167 WeakPolarHBondContact O-CB 3.44Å; G160-Y167 WeakPolarHBondContact O-CD2 3.2Å; N163-Y167 PolarHBondContact O-N 2.94Å; P164-Y167 PolarHBondContact O-N 2.89Å; F165-Y167 VanDerWaalsContact C-N 3.31Å; F165-Y167 PolarHBondContact O-N 2.81Å; Y167-V169 VanDerWaalsContact C-N 3.34Å; Y167-V169 PolarHBondContact O-N 2.85Å; Y167-G170 WeakPolarHBondContact O-CA 3.34Å; Y167-G170 PolarHBondContact O-N 2.81Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; Y167-L171 HydrophobicContact CD1-CD1 4.1Å; Y167-L171 HydrophobicContact CE1-CD1 3.76Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD2 4.28Å; Y167-L171 HydrophobicContact CE2-CG 4.42Å; Y167-L171 WeakPolarHBondContact O-CG 3.46Å; Y167-L171 PolarHBondContact O-N 2.87Å; Y167-K283 WeakPolarHBondContact CD1-O 3.21Å; Y167-K283 HydrophobicContact CE1-CB 4.24Å; Y167-K283 WeakPolarHBondContact CE1-O 3.25Å; Y167-T284 WeakPolarHBondContact CD1-O 3.29Å; Y167-V285 VanDerWaalsContact CD1-C 3.46Å; Y167-N286 HydrophobicContact CD2-CB 3.77Å; Y167-N286 HydrophobicContact CE2-CB 3.34Å
168	Q	98.7	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-34.7	179.3	-63.9	-48.3	-55.7	0	0	112.9	P164 F165 L171 Q172 K283 T284 V354 L358	P164-Q168 WeakPolarHBondContact O-CG 3.42Å; P164-Q168 PolarHBondContact O-N 2.98Å; P164-Q168 VanDerWaalsContact O-N 3.08Å; F165-Q168 PolarHBondContact O-N 2.87Å; Q168-L171 PolarHBondContact O-N 2.83Å; Q168-Q172 PolarHBondContact O-N 2.88Å; Q168-K283 PolarHBondContact NE2-O 3.12Å; Q168-T284 PolarHBondContact NE2-O 3.04Å; Q168-V354 HydrophobicContact CB-CB 4.31Å; Q168-V354 HydrophobicContact CB-CG1 3.94Å; Q168-V354 HydrophobicContact CB-CG2 3.8Å; Q168-V354 HydrophobicContact CG-CG1 4.49Å; Q168-L358 HydrophobicContact CG-CD1 3.91Å; Q168-L358 HydrophobicContact CG-CD2 3.73Å; Q168-L358 HydrophobicContact CG-CG 3.78Å
169	V	98.7	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-48.9	170.2	170.9	0	0	0	0	109.9	M152 F165 W166 Y167 L171 Q172 L173 V346 M350 V354	M152-V169 HydrophobicContact CB-CG1 4.27Å; F165-V169 HydrophobicContact CD1-CG2 4Å; F165-V169 HydrophobicContact CE1-CG2 3.62Å; F165-V169 HydrophobicContact CZ-CG2 4.04Å; F165-V169 WeakPolarHBondContact O-CG2 3.5Å; F165-V169 PolarHBondContact O-N 2.87Å; W166-V169 HydrophobicContact CE3-CB 4.06Å; W166-V169 HydrophobicContact CE3-CG1 4.09Å; W166-V169 HydrophobicContact CE3-CG2 4.21Å; W166-V169 HydrophobicContact CZ3-CB 4.44Å; W166-V169 HydrophobicContact CZ3-CG1 4.06Å; W166-V169 HydrophobicContact CZ3-CG2 4.42Å; Y167-V169 VanDerWaalsContact C-N 3.34Å; Y167-V169 PolarHBondContact O-N 2.85Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 2.88Å; V169-Q172 PolarHBondContact O-N 2.78Å; V169-Q172 VanDerWaalsContact O-N 3.13Å; V169-L173 HydrophobicContact CG1-CD1 4.13Å; V169-L173 HydrophobicContact CG1-CG 4.4Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 2.84Å; V169-V346 HydrophobicContact CG2-CG1 4.38Å; V169-M350 HydrophobicContact CG1-SD 4.44Å; V169-V354 HydrophobicContact CG2-CG2 3.91Å
170	G	98.5	Very high	97.6	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	10%	0.098	C	C	.	.	H	α-helix	trans	-56.3	-43.7	177	0	0	0	0	0	113.2	W166 Y167 L173 W174	W166-G170 PolarHBondContact O-N 2.87Å; Y167-G170 WeakPolarHBondContact O-CA 3.34Å; Y167-G170 PolarHBondContact O-N 2.81Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; G170-L173 PolarHBondContact O-N 3.47Å; G170-W174 VanDerWaalsContact O-CD1 3.27Å; G170-W174 PolarHBondContact O-N 2.95Å
171	L	98.8	Very high	97.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-40.4	175.7	-63.2	-178	0	0	0	112.2	D99 A103 Y167 Q168 V169 L173 W174 Q175 W282	D99-L171 HydrophobicContact CB-CD1 3.9Å; D99-L171 HydrophobicContact CB-CD2 3.61Å; D99-L171 HydrophobicContact CB-CG 4.43Å; A103-L171 HydrophobicContact CB-CB 4.29Å; A103-L171 HydrophobicContact CB-CD2 4.47Å; A103-L171 VanDerWaalsContact CB-O 3.28Å; A103-L171 WeakPolarHBondContact CB-O 3.27Å; Y167-L171 HydrophobicContact CD1-CD1 4.1Å; Y167-L171 HydrophobicContact CE1-CD1 3.76Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD2 4.28Å; Y167-L171 HydrophobicContact CE2-CG 4.42Å; Y167-L171 WeakPolarHBondContact O-CG 3.46Å; Y167-L171 PolarHBondContact O-N 2.87Å; Q168-L171 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 2.88Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 2.87Å; L171-W174 WeakPolarHBondContact O-CB 3.43Å; L171-W174 PolarHBondContact O-N 2.98Å; L171-Q175 PolarHBondContact O-N 3.05Å; L171-W282 HydrophobicContact CB-CD2 4.48Å; L171-W282 HydrophobicContact CB-CE3 3.85Å; L171-W282 HydrophobicContact CB-CH2 4.34Å; L171-W282 HydrophobicContact CB-CZ3 3.72Å; L171-W282 HydrophobicContact CD1-CB 3.89Å; L171-W282 HydrophobicContact CD1-CD2 3.76Å; L171-W282 HydrophobicContact CD1-CE3 3.54Å; L171-W282 HydrophobicContact CD1-CG 3.92Å; L171-W282 HydrophobicContact CD1-CZ3 4.3Å; L171-W282 HydrophobicContact CG-CE3 4.34Å
172	Q	98.6	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-36.3	175.6	-162.8	164.2	2.3	0	0	112.2	Q168 V169 Q175 L176 T307 M350	Q168-Q172 PolarHBondContact O-N 2.88Å; V169-Q172 PolarHBondContact O-N 2.78Å; V169-Q172 VanDerWaalsContact O-N 3.13Å; Q172-Q175 WeakPolarHBondContact O-CB 3.32Å; Q172-Q175 PolarHBondContact O-N 2.8Å; Q172-L176 WeakPolarHBondContact O-CG 3.44Å; Q172-L176 PolarHBondContact O-N 3.38Å; Q172-T307 PolarHBondContact NE2-OG1 3.32Å; Q172-T307 VanDerWaalsContact NE2-OG1 3.12Å; Q172-M350 HydrophobicContact CG-CG 4.32Å; Q172-M350 PolarHBondContact OE1-O 3.37Å
173	L	98.8	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.6	-39.9	173.8	-66.1	174.5	0	0	0	111.8	M149 M152 L153 V169 G170 L171 L176 K177 L199 M350	M149-L173 HydrophobicContact CE-CD2 4.49Å; M149-L173 HydrophobicContact SD-CD2 3.66Å; M152-L173 HydrophobicContact CB-CD1 4.1Å; L153-L173 HydrophobicContact CD2-CD1 3.72Å; L153-L173 HydrophobicContact CG-CD1 4.08Å; V169-L173 HydrophobicContact CG1-CD1 4.13Å; V169-L173 HydrophobicContact CG1-CG 4.4Å; V169-L173 WeakPolarHBondContact O-CG 3.28Å; V169-L173 PolarHBondContact O-N 2.84Å; G170-L173 PolarHBondContact O-N 3.47Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 2.87Å; L173-L176 HydrophobicContact CD2-CD1 4.44Å; L173-L176 PolarHBondContact O-N 3.2Å; L173-K177 PolarHBondContact O-N 3.36Å; L173-L199 HydrophobicContact CB-CD2 4.44Å; L173-M350 HydrophobicContact CD2-SD 4.08Å
174	W	98.8	Very high	98.5	Very high	13 Å²	13	10.9 Å²	10.9	5%	0.049	6%	0.058	C	C	.	.	H	α-helix	trans	-60.9	-43.2	171.6	-84	111.9	0	0	0	112.3	N100 A103 Y104 G170 L171 K177 G178 L194 N195 L199	N100-W174 HydrophobicContact CB-CD2 4.27Å; N100-W174 HydrophobicContact CB-CG 4.07Å; A103-W174 HydrophobicContact CB-CB 3.9Å; Y104-W174 WeakPolarHBondContact CA-O 3.42Å; Y104-W174 HydrophobicContact CD2-CE3 4.04Å; Y104-W174 HydrophobicContact CD2-CZ3 4.35Å; Y104-W174 HydrophobicContact CG-CE3 4.47Å; G170-W174 VanDerWaalsContact O-CD1 3.27Å; G170-W174 PolarHBondContact O-N 2.95Å; L171-W174 WeakPolarHBondContact O-CB 3.43Å; L171-W174 PolarHBondContact O-N 2.98Å; W174-K177 PolarHBondContact O-N 2.87Å; W174-G178 PolarHBondContact O-N 3.41Å; W174-L194 VanDerWaalsContact CH2-C 3.41Å; W174-L194 HydrophobicContact CH2-CB 4.22Å; W174-L194 WeakPolarHBondContact CH2-O 3.27Å; W174-L194 HydrophobicContact CZ3-CB 4.09Å; W174-L194 HydrophobicContact CZ3-CD2 4.31Å; W174-N195 WeakPolarHBondContact CH2-O 3.44Å; W174-L199 HydrophobicContact CD2-CD1 4.05Å; W174-L199 HydrophobicContact CD2-CD2 4.03Å; W174-L199 HydrophobicContact CD2-CG 4.45Å; W174-L199 HydrophobicContact CE3-CD1 4.03Å; W174-L199 HydrophobicContact CG-CD1 4.44Å; W174-L199 HydrophobicContact CG-CD2 4.23Å; W174-L199 HydrophobicContact CH2-CB 3.82Å; W174-L199 HydrophobicContact CZ2-CB 3.86Å; W174-L199 HydrophobicContact CZ2-CD2 4.07Å; W174-L199 HydrophobicContact CZ2-CG 4.43Å; W174-L199 HydrophobicContact CZ3-CB 4.21Å; W174-L199 HydrophobicContact CZ3-CD1 4.37Å
175	Q	98.8	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174.6	-171.5	-175.7	9.6	0	0	111.6	A103 G107 L171 Q172 K177 G178 M179 T307	A103-Q175 HydrophobicContact CB-CB 4.42Å; A103-Q175 VanDerWaalsContact O-CA 3.24Å; A103-Q175 WeakPolarHBondContact O-CA 3.37Å; G107-Q175 WeakPolarHBondContact CA-O 3.44Å; L171-Q175 PolarHBondContact O-N 3.05Å; Q172-Q175 WeakPolarHBondContact O-CB 3.32Å; Q172-Q175 PolarHBondContact O-N 2.8Å; Q175-K177 VanDerWaalsContact C-N 3.29Å; Q175-K177 PolarHBondContact O-N 3.48Å; Q175-G178 PolarHBondContact O-N 3.01Å; Q175-M179 HydrophobicContact CG-CE 4.19Å; Q175-M179 WeakPolarHBondContact O-CG 3.24Å; Q175-M179 PolarHBondContact O-N 3.38Å; Q175-T307 HydrophobicContact CG-CG2 4.11Å
176	L	98.8	Very high	98.5	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-36.5	176.2	-69.9	174	0	0	0	112.6	Q172 L173 M179 S180 M202 Y210 Q213 T307 F349	Q172-L176 WeakPolarHBondContact O-CG 3.44Å; Q172-L176 PolarHBondContact O-N 3.38Å; L173-L176 HydrophobicContact CD2-CD1 4.44Å; L173-L176 PolarHBondContact O-N 3.2Å; L176-M179 HydrophobicContact CD2-SD 4.21Å; L176-M179 WeakPolarHBondContact O-CB 3.16Å; L176-M179 PolarHBondContact O-N 2.79Å; L176-S180 WeakPolarHBondContact O-CB 3.28Å; L176-S180 PolarHBondContact O-N 3.35Å; L176-M202 HydrophobicContact CB-CE 3.91Å; L176-Y210 HydrophobicContact CD1-CD2 4.18Å; L176-Y210 HydrophobicContact CD1-CE2 4.11Å; L176-Q213 VanDerWaalsContact CD2-CD 3.47Å; L176-Q213 HydrophobicContact CD2-CG 3.52Å; L176-T307 HydrophobicContact CD2-CG2 3.56Å; L176-T307 HydrophobicContact CG-CG2 4.18Å; L176-F349 HydrophobicContact CD1-CE2 4.18Å; L176-F349 HydrophobicContact CD1-CZ 4.1Å
177	K	98.8	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-42.3	175.6	-175.7	48.1	174.6	164.7	0	111.7	Y104 L173 W174 Q175 M179 S180 D181 Y198 L199 T201 M202 E205	Y104-K177 HydrophobicContact CD2-CB 4.39Å; Y104-K177 HydrophobicContact CD2-CG 4.31Å; Y104-K177 HydrophobicContact CE2-CG 4.08Å; L173-K177 PolarHBondContact O-N 3.36Å; W174-K177 PolarHBondContact O-N 2.87Å; Q175-K177 VanDerWaalsContact C-N 3.29Å; Q175-K177 PolarHBondContact O-N 3.48Å; K177-M179 VanDerWaalsContact C-N 3.32Å; K177-M179 PolarHBondContact O-N 3.02Å; K177-S180 PolarHBondContact O-N 3.11Å; K177-D181 VanDerWaalsContact CE-OD1 3.3Å; K177-D181 WeakPolarHBondContact CE-OD1 3.17Å; K177-D181 IonicContact NZ-OD1 3.38Å; K177-D181 PolarHBondContact NZ-OD1 3.04Å; K177-D181 WeakPolarHBondContact O-CB 3.28Å; K177-D181 PolarHBondContact O-N 3.43Å; K177-Y198 HydrophobicContact CD-CE1 4.4Å; K177-Y198 VanDerWaalsContact CE-CE1 3.44Å; K177-Y198 HydrophobicContact CG-CD1 4.48Å; K177-Y198 HydrophobicContact CG-CE1 4.23Å; K177-L199 HydrophobicContact CB-CD1 3.65Å; K177-L199 HydrophobicContact CG-CD1 4.06Å; K177-T201 VanDerWaalsContact CE-OG1 3.24Å; K177-T201 WeakPolarHBondContact CE-OG1 3.48Å; K177-T201 PolarHBondContact NZ-OG1 3.48Å; K177-M202 HydrophobicContact CB-CG 4.21Å; K177-M202 HydrophobicContact CB-SD 4.11Å; K177-M202 HydrophobicContact CD-CG 4.02Å; K177-M202 HydrophobicContact CD-SD 3.87Å; K177-M202 HydrophobicContact CG-CG 4.47Å; K177-E205 IonicContact NZ-OE1 2.79Å; K177-E205 PolarHBondContact NZ-OE1 3.27Å; K177-E205 IonicContact NZ-OE2 3.84Å; K177-E205 PolarHBondContact NZ-OE2 3.42Å
178	G	98.8	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-44.9	172.6	0	0	0	0	0	112.6	Y104 F108 W174 Q175 D181 A182	Y104-G178 WeakPolarHBondContact O-CA 3.42Å; F108-G178 WeakPolarHBondContact CA-O 3.35Å; W174-G178 PolarHBondContact O-N 3.41Å; Q175-G178 PolarHBondContact O-N 3.01Å; G178-D181 PolarHBondContact O-N 2.84Å; G178-A182 WeakPolarHBondContact O-CB 3.26Å; G178-A182 PolarHBondContact O-N 3.4Å
179	M	98.8	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-45	174.7	-66.8	179.1	169.1	0	0	111.9	G107 E110 T111 Q175 L176 K177 D181 A182 F183 I209 T305 T307	G107-M179 VanDerWaalsContact O-CG 3.3Å; G107-M179 WeakPolarHBondContact O-CG 3.48Å; E110-M179 HydrophobicContact CB-CE 4.41Å; E110-M179 VanDerWaalsContact CD-CE 3.47Å; E110-M179 HydrophobicContact CG-CE 4.14Å; T111-M179 WeakPolarHBondContact CG2-O 3.38Å; T111-M179 WeakPolarHBondContact OG1-CA 3.02Å; T111-M179 VanDerWaalsContact OG1-CB 3.29Å; T111-M179 WeakPolarHBondContact OG1-CB 3.37Å; T111-M179 WeakPolarHBondContact OG1-CG 3.3Å; Q175-M179 HydrophobicContact CG-CE 4.19Å; Q175-M179 WeakPolarHBondContact O-CG 3.24Å; Q175-M179 PolarHBondContact O-N 3.38Å; L176-M179 HydrophobicContact CD2-SD 4.21Å; L176-M179 WeakPolarHBondContact O-CB 3.16Å; L176-M179 PolarHBondContact O-N 2.79Å; K177-M179 VanDerWaalsContact C-N 3.32Å; K177-M179 PolarHBondContact O-N 3.02Å; M179-D181 PolarHBondContact O-N 2.93Å; M179-A182 PolarHBondContact O-N 3.44Å; M179-F183 WeakPolarHBondContact O-CB 3.46Å; M179-F183 PolarHBondContact O-N 2.87Å; M179-I209 HydrophobicContact CB-CD1 3.52Å; M179-T305 HydrophobicContact CB-CG2 4.02Å; M179-T305 HydrophobicContact CG-CG2 4.29Å; M179-T305 HydrophobicContact SD-CG2 4.07Å; M179-T307 HydrophobicContact CE-CG2 3.51Å; M179-T307 HydrophobicContact SD-CG2 3.56Å; M179-T307 VanDerWaalsContact SD-CG2 3.56Å
180	S	98.6	Very high	98.2	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.028	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-46.4	-179.6	-177.7	0	0	0	0	110.8	L176 K177 F183 N184 E205 I209	L176-S180 WeakPolarHBondContact O-CB 3.28Å; L176-S180 PolarHBondContact O-N 3.35Å; K177-S180 PolarHBondContact O-N 3.11Å; S180-F183 PolarHBondContact O-N 2.82Å; S180-N184 WeakPolarHBondContact O-CB 3.43Å; S180-N184 PolarHBondContact O-N 3.25Å; S180-N184 PolarHBondContact O-ND2 3.06Å; S180-E205 PolarHBondContact OG-OE2 3.13Å; S180-I209 VanDerWaalsContact CA-CD1 3.5Å; S180-I209 VanDerWaalsContact N-CD1 3.3Å
181	D	98.7	Very high	98.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-43	179.6	-78.3	-6.5	0	0	0	111.6	Y104 K177 G178 M179 N184 R185 K186 Y198	Y104-D181 WeakPolarHBondContact CE2-OD2 3.48Å; Y104-D181 PolarHBondContact OH-OD2 3.44Å; K177-D181 VanDerWaalsContact CE-OD1 3.3Å; K177-D181 WeakPolarHBondContact CE-OD1 3.17Å; K177-D181 IonicContact NZ-OD1 3.38Å; K177-D181 PolarHBondContact NZ-OD1 3.04Å; K177-D181 WeakPolarHBondContact O-CB 3.28Å; K177-D181 PolarHBondContact O-N 3.43Å; G178-D181 PolarHBondContact O-N 2.84Å; M179-D181 PolarHBondContact O-N 2.93Å; D181-N184 CarbonylContact O-C 3.42Å; D181-N184 PolarHBondContact O-N 3.48Å; D181-R185 PolarHBondContact O-N 2.97Å; D181-K186 HydrophobicContact CB-CB 4.34Å; D181-K186 WeakPolarHBondContact CB-O 3.18Å; D181-K186 PolarHBondContact O-N 3.23Å; D181-Y198 PolarHBondContact OD1-OH 3.06Å; D181-Y198 WeakPolarHBondContact OD2-CE1 3.42Å; D181-Y198 PolarHBondContact OD2-OH 3.31Å
182	A	98.5	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-44.6	174.6	0	0	0	0	0	112.6	F108 T111 N112 G178 M179 N184 R185	F108-A182 HydrophobicContact CD1-CB 4.49Å; F108-A182 HydrophobicContact CD2-CB 3.68Å; F108-A182 HydrophobicContact CE2-CB 3.84Å; F108-A182 HydrophobicContact CG-CB 4.01Å; F108-A182 HydrophobicContact CZ-CB 4.3Å; F108-A182 WeakPolarHBondContact O-CB 3.22Å; T111-A182 HydrophobicContact CG2-CB 3.88Å; N112-A182 HydrophobicContact CB-CB 4.23Å; G178-A182 WeakPolarHBondContact O-CB 3.26Å; G178-A182 PolarHBondContact O-N 3.4Å; M179-A182 PolarHBondContact O-N 3.44Å; A182-N184 VanDerWaalsContact C-N 3.25Å; A182-N184 PolarHBondContact O-N 2.94Å; A182-R185 PolarHBondContact O-N 3.13Å
183	F	98.2	Very high	97.8	Very high	41 Å²	41	40.5 Å²	40.5	18%	0.18	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-38.8	175.8	-176.4	-101.2	0	0	0	112	T111 L115 T118 V119 W122 M179 S180 R185 I209	T111-F183 HydrophobicContact CG2-CB 3.97Å; L115-F183 HydrophobicContact CD1-CD2 4.26Å; T118-F183 HydrophobicContact CG2-CD2 3.73Å; T118-F183 HydrophobicContact CG2-CE2 4.01Å; V119-F183 HydrophobicContact CG2-CE2 3.93Å; W122-F183 HydrophobicContact CB-CE2 4.49Å; W122-F183 HydrophobicContact CB-CZ 4.42Å; W122-F183 HydrophobicContact CD2-CZ 4.4Å; W122-F183 HydrophobicContact CG-CZ 4.05Å; M179-F183 WeakPolarHBondContact O-CB 3.46Å; M179-F183 PolarHBondContact O-N 2.87Å; S180-F183 PolarHBondContact O-N 2.82Å; F183-R185 VanDerWaalsContact C-N 3.26Å; F183-R185 PolarHBondContact O-N 3.27Å; F183-I209 HydrophobicContact CB-CD1 4.48Å; F183-I209 HydrophobicContact CB-CG2 3.82Å; F183-I209 HydrophobicContact CD1-CG2 3.43Å; F183-I209 VanDerWaalsContact CD1-CG2 3.43Å; F183-I209 HydrophobicContact CD2-CG2 3.68Å; F183-I209 HydrophobicContact CE1-CG2 3.8Å; F183-I209 HydrophobicContact CE2-CG2 4.03Å; F183-I209 HydrophobicContact CG-CG2 3.35Å; F183-I209 HydrophobicContact CZ-CG2 4.07Å
184	N	97.6	Very high	97.8	Very high	97 Å²	97	40.8 Å²	40.8	52%	0.519	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.9	176.6	-67.2	-53.3	0	0	0	113.8	S180 D181 A182 K186	S180-N184 WeakPolarHBondContact O-CB 3.43Å; S180-N184 PolarHBondContact O-N 3.25Å; S180-N184 PolarHBondContact O-ND2 3.06Å; D181-N184 CarbonylContact O-C 3.42Å; D181-N184 PolarHBondContact O-N 3.48Å; A182-N184 VanDerWaalsContact C-N 3.25Å; A182-N184 PolarHBondContact O-N 2.94Å; N184-K186 VanDerWaalsContact C-N 3.26Å; N184-K186 PolarHBondContact O-N 2.96Å
185	R	97.3	Very high	97.7	Very high	203 Å²	203	43.4 Å²	43.4	77%	0.766	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	37	-179.9	-57.7	177.7	175.9	-91	-0.3	113.7	D181 A182 F183	D181-R185 PolarHBondContact O-N 2.97Å; A182-R185 PolarHBondContact O-N 3.13Å; F183-R185 VanDerWaalsContact C-N 3.26Å; F183-R185 PolarHBondContact O-N 3.27Å
186	K	97.9	Very high	97.6	Very high	87 Å²	87	48.4 Å²	48.4	38%	0.378	23%	0.228	S	C	.	.			trans	-108.2	109.4	-178.5	-171.5	-176.5	-174.6	-166.5	0	110.2	F108 D181 N184 I188 Y198	F108-K186 WeakPolarHBondContact CE2-O 3.45Å; D181-K186 HydrophobicContact CB-CB 4.34Å; D181-K186 WeakPolarHBondContact CB-O 3.18Å; D181-K186 PolarHBondContact O-N 3.23Å; N184-K186 VanDerWaalsContact C-N 3.26Å; N184-K186 PolarHBondContact O-N 2.96Å; K186-I188 HydrophobicContact CD-CD1 4.42Å; K186-I188 HydrophobicContact CG-CD1 4.21Å; K186-Y198 WeakPolarHBondContact CD-OH 3.46Å; K186-Y198 VanDerWaalsContact CE-OH 3.24Å; K186-Y198 WeakPolarHBondContact CE-OH 3.28Å; K186-Y198 PolarHBondContact NZ-OH 2.98Å
187	F	97.9	Very high	97.6	Very high	77 Å²	77	52.5 Å²	52.5	34%	0.338	26%	0.258	S	S	.	.			trans	-96.8	131.4	176.2	-170.6	-93.9	0	0	0	110.6	I45 F56 W105 F108 D189	I45-F187 HydrophobicContact CD1-CE2 4Å; I45-F187 HydrophobicContact CD1-CZ 4.49Å; F56-F187 HydrophobicContact CB-CZ 4.22Å; W105-F187 AromaticContact CH2-CD2 3.79Å; W105-F187 HydrophobicContact CH2-CD2 3.79Å; W105-F187 HydrophobicContact CH2-CE1 4.08Å; W105-F187 AromaticContact CH2-CE2 3.25Å; W105-F187 HydrophobicContact CH2-CE2 3.25Å; W105-F187 HydrophobicContact CH2-CG 4.4Å; W105-F187 AromaticContact CH2-CZ 3.42Å; W105-F187 HydrophobicContact CH2-CZ 3.42Å; W105-F187 VanDerWaalsContact CH2-CZ 3.42Å; W105-F187 HydrophobicContact CZ2-CE2 4.4Å; W105-F187 HydrophobicContact CZ2-CZ 4.23Å; W105-F187 AromaticContact CZ3-CD2 3.85Å; W105-F187 HydrophobicContact CZ3-CD2 3.85Å; W105-F187 AromaticContact CZ3-CE2 3.34Å; W105-F187 HydrophobicContact CZ3-CE2 3.34Å; W105-F187 AromaticContact CZ3-CZ 3.96Å; W105-F187 HydrophobicContact CZ3-CZ 3.96Å; F108-F187 AromaticContact CE1-CD2 3.91Å; F108-F187 HydrophobicContact CE1-CD2 3.91Å; F108-F187 HydrophobicContact CE1-CE2 4.26Å; F108-F187 HydrophobicContact CE2-CD2 4.16Å; F108-F187 HydrophobicContact CZ-CB 4.49Å; F108-F187 AromaticContact CZ-CD2 3.6Å; F108-F187 HydrophobicContact CZ-CD2 3.6Å; F108-F187 HydrophobicContact CZ-CE2 4.39Å; F187-D189 HydrophobicContact CD1-CB 4.03Å; F187-D189 HydrophobicContact CE1-CB 3.89Å
188	I	97.9	Very high	97.6	Very high	14 Å²	14	54 Å²	54	7%	0.072	26%	0.263	C	S	.	.			trans	-105.8	104.2	176.6	-54.4	-58.4	0	0	0	108.8	Y104 W105 K186 R190 L193 L194 Y198	Y104-I188 VanDerWaalsContact OH-CG1 3.28Å; Y104-I188 WeakPolarHBondContact OH-CG1 3.42Å; W105-I188 WeakPolarHBondContact CH2-O 3.14Å; W105-I188 WeakPolarHBondContact CZ2-O 3.46Å; K186-I188 HydrophobicContact CD-CD1 4.42Å; K186-I188 HydrophobicContact CG-CD1 4.21Å; I188-R190 VanDerWaalsContact C-N 3.35Å; I188-R190 PolarHBondContact O-N 3.38Å; I188-L193 HydrophobicContact CG2-CB 3.8Å; I188-L193 HydrophobicContact CG2-CD1 4.31Å; I188-L194 HydrophobicContact CB-CD2 3.93Å; I188-L194 HydrophobicContact CB-CG 4.43Å; I188-L194 HydrophobicContact CG1-CD2 4.14Å; I188-L194 HydrophobicContact CG2-CD2 3.7Å; I188-L194 HydrophobicContact CG2-CG 3.85Å; I188-Y198 HydrophobicContact CD1-CE1 4.49Å; I188-Y198 HydrophobicContact CD1-CE2 4.04Å; I188-Y198 WeakPolarHBondContact CD1-OH 3.36Å; I188-Y198 HydrophobicContact CG1-CE1 4.09Å
189	D	95.6	Very high	97.6	Very high	76 Å²	76	54 Å²	54	41%	0.406	26%	0.264	S	S	.	.			trans	-84.1	-7.2	-169.9	67.8	-18	0	0	0	114.4	Y55 F56 F187	Y55-D189 CarbonylContact C-O 3.47Å; Y55-D189 WeakPolarHBondContact CA-O 3.48Å; F56-D189 PolarHBondContact N-O 3.13Å; F187-D189 HydrophobicContact CD1-CB 4.03Å; F187-D189 HydrophobicContact CE1-CB 3.89Å
190	R	96.2	Very high	97.6	Very high	64 Å²	64	56.7 Å²	56.7	24%	0.242	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-125.9	133.7	-176.7	-79.7	179.3	56.6	160.7	-2.6	112.8	H53 Y55 I188 D192 L193	H53-R190 PolarHBondContact CE1-NH2 2.91Å; H53-R190 PolarHBondContact ND1-NH2 3.38Å; Y55-R190 HydrophobicContact CD1-CG 3.63Å; Y55-R190 HydrophobicContact CE1-CG 3.37Å; I188-R190 VanDerWaalsContact C-N 3.35Å; I188-R190 PolarHBondContact O-N 3.38Å; R190-D192 IonicContact CZ-OD1 2.64Å; R190-D192 IonicContact CZ-OD2 2.85Å; R190-D192 IonicContact NE-OD1 2.71Å; R190-D192 PolarHBondContact NE-OD1 3.48Å; R190-D192 IonicContact NE-OD2 2.81Å; R190-D192 VanDerWaalsContact NH2-CG 3.28Å; R190-D192 IonicContact NH2-OD1 3.16Å; R190-D192 PolarHBondContact NH2-OD1 3.24Å; R190-D192 VanDerWaalsContact NH2-OD1 3.14Å; R190-D192 IonicContact NH2-OD2 2.74Å; R190-D192 PolarHBondContact NH2-OD2 2.78Å; R190-D192 PolarHBondContact O-N 3.43Å; R190-L193 HydrophobicContact CB-CD1 4.05Å; R190-L193 HydrophobicContact CB-CG 4.05Å; R190-L193 PolarHBondContact O-N 3.48Å
191	A	96.5	Very high	97.6	Very high	21 Å²	21	58.7 Å²	58.7	17%	0.174	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.8	-36.2	-179.1	0	0	0	0	0	114.7	L54 F56 L101 L193 L194	L54-A191 HydrophobicContact CB-CB 3.84Å; L54-A191 HydrophobicContact CD2-CB 4.15Å; L54-A191 HydrophobicContact CG-CB 4.39Å; L54-A191 PolarHBondContact O-N 3.35Å; F56-A191 HydrophobicContact CE2-CB 3.73Å; F56-A191 HydrophobicContact CZ-CB 3.72Å; L101-A191 HydrophobicContact CD1-CB 4.43Å; A191-L193 PolarHBondContact O-N 2.91Å; A191-L194 PolarHBondContact O-N 3.36Å; A191-L194 VanDerWaalsContact O-N 3.09Å
192	D	95.1	Very high	97.6	Very high	72 Å²	72	58.8 Å²	58.8	39%	0.385	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-72	-17.7	-177	62.9	-58.1	0	0	0	113.7	H53 R190 L194 N195	H53-D192 IonicContact ND1-OD1 2.72Å; R190-D192 IonicContact CZ-OD1 2.64Å; R190-D192 IonicContact CZ-OD2 2.85Å; R190-D192 IonicContact NE-OD1 2.71Å; R190-D192 PolarHBondContact NE-OD1 3.48Å; R190-D192 IonicContact NE-OD2 2.81Å; R190-D192 VanDerWaalsContact NH2-CG 3.28Å; R190-D192 IonicContact NH2-OD1 3.16Å; R190-D192 PolarHBondContact NH2-OD1 3.24Å; R190-D192 VanDerWaalsContact NH2-OD1 3.14Å; R190-D192 IonicContact NH2-OD2 2.74Å; R190-D192 PolarHBondContact NH2-OD2 2.78Å; R190-D192 PolarHBondContact O-N 3.43Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-N195 PolarHBondContact O-ND2 2.86Å
193	L	97.1	Very high	97.6	Very high	76 Å²	76	61 Å²	61	40%	0.398	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-75.3	-25.4	171.3	-60.4	-178.9	0	0	0	112.1	I188 R190 A191 N195 Y198	I188-L193 HydrophobicContact CG2-CB 3.8Å; I188-L193 HydrophobicContact CG2-CD1 4.31Å; R190-L193 HydrophobicContact CB-CD1 4.05Å; R190-L193 HydrophobicContact CB-CG 4.05Å; R190-L193 PolarHBondContact O-N 3.48Å; A191-L193 PolarHBondContact O-N 2.91Å; L193-N195 PolarHBondContact O-N 2.96Å; L193-N195 PolarHBondContact O-ND2 2.76Å; L193-Y198 WeakPolarHBondContact O-CB 3.35Å
194	L	97.9	Very high	97.6	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	33%	0.326	C	S	.	.	S	Bend	trans	-81.5	65.7	176.1	-62	177	0	0	0	110.7	F56 L101 Y104 W174 I188 A191 D192 Y198	F56-L194 HydrophobicContact CE2-CD1 3.88Å; L101-L194 HydrophobicContact CD2-CB 4.18Å; L101-L194 HydrophobicContact CD2-CD1 3.76Å; Y104-L194 HydrophobicContact CD1-CD1 3.63Å; Y104-L194 HydrophobicContact CD1-CD2 4.11Å; Y104-L194 HydrophobicContact CD2-CD2 3.98Å; Y104-L194 HydrophobicContact CE1-CD1 3.88Å; Y104-L194 HydrophobicContact CE1-CD2 3.83Å; Y104-L194 HydrophobicContact CE2-CD2 3.68Å; Y104-L194 HydrophobicContact CG-CD1 4.07Å; Y104-L194 HydrophobicContact CG-CD2 4.18Å; W174-L194 VanDerWaalsContact CH2-C 3.41Å; W174-L194 HydrophobicContact CH2-CB 4.22Å; W174-L194 WeakPolarHBondContact CH2-O 3.27Å; W174-L194 HydrophobicContact CZ3-CB 4.09Å; W174-L194 HydrophobicContact CZ3-CD2 4.31Å; I188-L194 HydrophobicContact CB-CD2 3.93Å; I188-L194 HydrophobicContact CB-CG 4.43Å; I188-L194 HydrophobicContact CG1-CD2 4.14Å; I188-L194 HydrophobicContact CG2-CD2 3.7Å; I188-L194 HydrophobicContact CG2-CG 3.85Å; A191-L194 PolarHBondContact O-N 3.36Å; A191-L194 VanDerWaalsContact O-N 3.09Å; D192-L194 VanDerWaalsContact C-N 3.34Å; L194-Y198 HydrophobicContact CD2-CD1 3.95Å; L194-Y198 HydrophobicContact CD2-CE1 3.99Å
195	N	97.2	Very high	97.5	Very high	69 Å²	69	63 Å²	63	37%	0.369	31%	0.312	S	S	.	.	S	Bend	trans	-114.4	177.1	179.7	62.7	55.9	0	0	0	112.4	W174 D192 L193 S197 Y198 L199	W174-N195 WeakPolarHBondContact CH2-O 3.44Å; D192-N195 PolarHBondContact O-ND2 2.86Å; L193-N195 PolarHBondContact O-N 2.96Å; L193-N195 PolarHBondContact O-ND2 2.76Å; N195-S197 VanDerWaalsContact C-N 3.27Å; N195-S197 PolarHBondContact O-N 2.97Å; N195-S197 VanDerWaalsContact OD1-CB 3.24Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 3.3Å; N195-Y198 WeakPolarHBondContact O-CB 3.07Å; N195-Y198 PolarHBondContact O-N 3.24Å; N195-Y198 PolarHBondContact OD1-N 3.41Å; N195-L199 PolarHBondContact O-N 3.29Å
196	H	97.5	Very high	97.6	Very high	104 Å²	104	53.3 Å²	53.3	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-35.2	-178.1	-66.6	175.3	0	0	0	113.7	Y157 Y198 L199 N200	Y157-H196 AromaticContact CD1-CD2 3.89Å; Y157-H196 AromaticContact CD1-CE1 3.55Å; Y157-H196 AromaticContact CD1-CG 3.96Å; Y157-H196 AromaticContact CD1-ND1 3.74Å; Y157-H196 AromaticContact CD1-NE2 3.66Å; Y157-H196 HydrophobicContact CE1-CB 4.13Å; Y157-H196 AromaticContact CE1-CD2 3.44Å; Y157-H196 VanDerWaalsContact CE1-CD2 3.44Å; Y157-H196 WeakPolarHBondContact CE1-CD2 3.41Å; Y157-H196 AromaticContact CE1-CE1 3.92Å; Y157-H196 AromaticContact CE1-CG 3.58Å; Y157-H196 AromaticContact CE1-ND1 3.87Å; Y157-H196 AromaticContact CE1-NE2 3.69Å; Y157-H196 HydrophobicContact CE2-CB 4.33Å; Y157-H196 AromaticContact CZ-CG 3.84Å; Y157-H196 PolarHBondContact OH-O 3.48Å; H196-Y198 VanDerWaalsContact C-N 3.28Å; H196-Y198 PolarHBondContact O-N 2.92Å; H196-L199 PolarHBondContact O-N 3.26Å; H196-N200 WeakPolarHBondContact O-CB 3.47Å; H196-N200 PolarHBondContact O-N 2.9Å; H196-N200 PolarHBondContact O-ND2 3.22Å; H196-N200 PolarHBondContact O-OD1 3.32Å
197	S	98.1	Very high	97.5	Very high	91 Å²	91	50.9 Å²	50.9	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-62.3	-41.4	176.3	-172.6	0	0	0	0	110.7	N195 N200	N195-S197 VanDerWaalsContact C-N 3.27Å; N195-S197 PolarHBondContact O-N 2.97Å; N195-S197 VanDerWaalsContact OD1-CB 3.24Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 3.3Å; S197-N200 PolarHBondContact O-N 2.73Å
198	Y	98.4	Very high	97.4	Very high	30 Å²	30	48.5 Å²	48.5	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-43.4	176.1	-168.1	-100.8	0	0	0	112.4	Y104 K177 D181 K186 I188 L193 L194 N195 H196 N200 T201	Y104-Y198 HydrophobicContact CE2-CE1 4.41Å; K177-Y198 HydrophobicContact CD-CE1 4.4Å; K177-Y198 VanDerWaalsContact CE-CE1 3.44Å; K177-Y198 HydrophobicContact CG-CD1 4.48Å; K177-Y198 HydrophobicContact CG-CE1 4.23Å; D181-Y198 PolarHBondContact OD1-OH 3.06Å; D181-Y198 WeakPolarHBondContact OD2-CE1 3.42Å; D181-Y198 PolarHBondContact OD2-OH 3.31Å; K186-Y198 WeakPolarHBondContact CD-OH 3.46Å; K186-Y198 VanDerWaalsContact CE-OH 3.24Å; K186-Y198 WeakPolarHBondContact CE-OH 3.28Å; K186-Y198 PolarHBondContact NZ-OH 2.98Å; I188-Y198 HydrophobicContact CD1-CE1 4.49Å; I188-Y198 HydrophobicContact CD1-CE2 4.04Å; I188-Y198 WeakPolarHBondContact CD1-OH 3.36Å; I188-Y198 HydrophobicContact CG1-CE1 4.09Å; L193-Y198 WeakPolarHBondContact O-CB 3.35Å; L194-Y198 HydrophobicContact CD2-CD1 3.95Å; L194-Y198 HydrophobicContact CD2-CE1 3.99Å; N195-Y198 WeakPolarHBondContact O-CB 3.07Å; N195-Y198 PolarHBondContact O-N 3.24Å; N195-Y198 PolarHBondContact OD1-N 3.41Å; H196-Y198 VanDerWaalsContact C-N 3.28Å; H196-Y198 PolarHBondContact O-N 2.92Å; Y198-N200 VanDerWaalsContact C-N 3.29Å; Y198-N200 PolarHBondContact O-N 3.33Å; Y198-T201 WeakPolarHBondContact O-CB 3.39Å; Y198-T201 WeakPolarHBondContact O-CG2 3.41Å; Y198-T201 PolarHBondContact O-N 3.44Å; Y198-T201 PolarHBondContact O-OG1 3.19Å
199	L	98.6	Very high	97.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-35.4	176.7	-174.1	63.1	0	0	0	112.2	L153 Y157 L173 W174 K177 N195 H196 T201 M202	L153-L199 HydrophobicContact CD2-CD2 3.53Å; L153-L199 HydrophobicContact CD2-CG 3.6Å; Y157-L199 HydrophobicContact CE1-CD2 4.29Å; L173-L199 HydrophobicContact CB-CD2 4.44Å; W174-L199 HydrophobicContact CD2-CD1 4.05Å; W174-L199 HydrophobicContact CD2-CD2 4.03Å; W174-L199 HydrophobicContact CD2-CG 4.45Å; W174-L199 HydrophobicContact CE3-CD1 4.03Å; W174-L199 HydrophobicContact CG-CD1 4.44Å; W174-L199 HydrophobicContact CG-CD2 4.23Å; W174-L199 HydrophobicContact CH2-CB 3.82Å; W174-L199 HydrophobicContact CZ2-CB 3.86Å; W174-L199 HydrophobicContact CZ2-CD2 4.07Å; W174-L199 HydrophobicContact CZ2-CG 4.43Å; W174-L199 HydrophobicContact CZ3-CB 4.21Å; W174-L199 HydrophobicContact CZ3-CD1 4.37Å; K177-L199 HydrophobicContact CB-CD1 3.65Å; K177-L199 HydrophobicContact CG-CD1 4.06Å; N195-L199 PolarHBondContact O-N 3.29Å; H196-L199 PolarHBondContact O-N 3.26Å; L199-T201 PolarHBondContact O-N 3Å; L199-T201 VanDerWaalsContact O-N 3.08Å; L199-M202 HydrophobicContact CD1-CG 4.22Å; L199-M202 VanDerWaalsContact O-CB 3.32Å; L199-M202 WeakPolarHBondContact O-CB 3.41Å; L199-M202 WeakPolarHBondContact O-CG 3.28Å; L199-M202 PolarHBondContact O-N 3.03Å
200	N	98.7	Very high	97.4	Very high	55 Å²	55	44.7 Å²	44.7	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-18.8	179.1	-73.1	-11.5	0	0	0	114	Y157 H196 S197 Y198 M202 I203	Y157-N200 VanDerWaalsContact CE2-OD1 3.3Å; Y157-N200 WeakPolarHBondContact CE2-OD1 3.15Å; Y157-N200 PolarHBondContact OH-OD1 3.4Å; H196-N200 WeakPolarHBondContact O-CB 3.47Å; H196-N200 PolarHBondContact O-N 2.9Å; H196-N200 PolarHBondContact O-ND2 3.22Å; H196-N200 PolarHBondContact O-OD1 3.32Å; S197-N200 PolarHBondContact O-N 2.73Å; Y198-N200 VanDerWaalsContact C-N 3.29Å; Y198-N200 PolarHBondContact O-N 3.33Å; N200-M202 PolarHBondContact O-N 3.02Å; N200-M202 VanDerWaalsContact O-N 3.12Å; N200-I203 WeakPolarHBondContact O-CB 3.34Å; N200-I203 VanDerWaalsContact O-CG1 3.31Å; N200-I203 WeakPolarHBondContact O-CG1 3.38Å; N200-I203 PolarHBondContact O-N 2.93Å; N200-I203 VanDerWaalsContact O-N 3.09Å
201	T	98.5	Very high	97.4	Very high	46 Å²	46	41.8 Å²	41.8	28%	0.282	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.8	-21.8	172.6	62.2	0	0	0	0	113	K177 Y198 L199 I203 D204 E205	K177-T201 VanDerWaalsContact CE-OG1 3.24Å; K177-T201 WeakPolarHBondContact CE-OG1 3.48Å; K177-T201 PolarHBondContact NZ-OG1 3.48Å; Y198-T201 WeakPolarHBondContact O-CB 3.39Å; Y198-T201 WeakPolarHBondContact O-CG2 3.41Å; Y198-T201 PolarHBondContact O-N 3.44Å; Y198-T201 PolarHBondContact O-OG1 3.19Å; L199-T201 PolarHBondContact O-N 3Å; L199-T201 VanDerWaalsContact O-N 3.08Å; T201-I203 PolarHBondContact O-N 3.49Å; T201-I203 VanDerWaalsContact O-N 3.09Å; T201-D204 PolarHBondContact O-N 2.96Å; T201-E205 WeakPolarHBondContact O-CG 3.3Å; T201-E205 PolarHBondContact O-N 3.08Å
202	M	98.4	Very high	97.4	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.02	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.4	-25.7	173	-74.8	-70.9	-65.8	0	0	113.7	M149 L176 K177 L199 N200 D204 E205 V206	M149-M202 HydrophobicContact CE-CB 4.45Å; M149-M202 HydrophobicContact CE-CE 3.78Å; M149-M202 HydrophobicContact CG-CB 3.93Å; M149-M202 HydrophobicContact SD-CB 3.95Å; M149-M202 HydrophobicContact SD-CE 4.3Å; L176-M202 HydrophobicContact CB-CE 3.91Å; K177-M202 HydrophobicContact CB-CG 4.21Å; K177-M202 HydrophobicContact CB-SD 4.11Å; K177-M202 HydrophobicContact CD-CG 4.02Å; K177-M202 HydrophobicContact CD-SD 3.87Å; K177-M202 HydrophobicContact CG-CG 4.47Å; L199-M202 HydrophobicContact CD1-CG 4.22Å; L199-M202 VanDerWaalsContact O-CB 3.32Å; L199-M202 WeakPolarHBondContact O-CB 3.41Å; L199-M202 WeakPolarHBondContact O-CG 3.28Å; L199-M202 PolarHBondContact O-N 3.03Å; N200-M202 PolarHBondContact O-N 3.02Å; N200-M202 VanDerWaalsContact O-N 3.12Å; M202-D204 PolarHBondContact O-N 3.25Å; M202-E205 PolarHBondContact O-N 3.27Å; M202-V206 VanDerWaalsContact O-CG1 3.3Å; M202-V206 WeakPolarHBondContact O-CG1 3.43Å; M202-V206 PolarHBondContact O-N 3.09Å
203	I	98.8	Very high	97.6	Very high	45 Å²	45	37.7 Å²	37.7	23%	0.231	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.7	-35.5	177.9	-64	168.9	0	0	0	111.1	S146 M149 A150 L153 N200 T201	S146-I203 WeakPolarHBondContact CB-O 3.5Å; S146-I203 PolarHBondContact OG-O 3.24Å; M149-I203 HydrophobicContact CB-CG1 4.44Å; M149-I203 HydrophobicContact CG-CG1 4.16Å; A150-I203 HydrophobicContact CB-CD1 3.78Å; A150-I203 HydrophobicContact CB-CG1 4.07Å; L153-I203 HydrophobicContact CD1-CD1 4.04Å; L153-I203 HydrophobicContact CD1-CG1 3.76Å; N200-I203 WeakPolarHBondContact O-CB 3.34Å; N200-I203 VanDerWaalsContact O-CG1 3.31Å; N200-I203 WeakPolarHBondContact O-CG1 3.38Å; N200-I203 PolarHBondContact O-N 2.93Å; N200-I203 VanDerWaalsContact O-N 3.09Å; T201-I203 PolarHBondContact O-N 3.49Å; T201-I203 VanDerWaalsContact O-N 3.09Å
204	D	97.7	Very high	97.6	Very high	130 Å²	130	34.1 Å²	34.1	70%	0.695	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.5	-179.6	-58.9	-42.8	0	0	0	112.2	T201 M202	T201-D204 PolarHBondContact O-N 2.96Å; M202-D204 PolarHBondContact O-N 3.25Å
205	E	97.1	Very high	97.5	Very high	50 Å²	50	34.9 Å²	34.9	23%	0.234	19%	0.193	C	C	.	.			trans	-90.3	5.8	-177.4	-64.1	175	-168.3	0	0	113.8	K177 S180 T201 M202 M207 G208	K177-E205 IonicContact NZ-OE1 2.79Å; K177-E205 PolarHBondContact NZ-OE1 3.27Å; K177-E205 IonicContact NZ-OE2 3.84Å; K177-E205 PolarHBondContact NZ-OE2 3.42Å; S180-E205 PolarHBondContact OG-OE2 3.13Å; T201-E205 WeakPolarHBondContact O-CG 3.3Å; T201-E205 PolarHBondContact O-N 3.08Å; M202-E205 PolarHBondContact O-N 3.27Å; E205-M207 PolarHBondContact O-N 2.99Å; E205-G208 PolarHBondContact O-N 2.92Å
206	V	97.8	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.4	-174.7	-62.2	0	0	0	0	114.9	Q142 L145 S146 M149 M202 Y210	Q142-V206 HydrophobicContact CG-CG2 4.22Å; L145-V206 HydrophobicContact CB-CB 3.85Å; L145-V206 HydrophobicContact CB-CG1 4.25Å; L145-V206 HydrophobicContact CB-CG2 3.86Å; S146-V206 WeakPolarHBondContact OG-CG2 3.24Å; M149-V206 HydrophobicContact CB-CG1 3.93Å; M149-V206 HydrophobicContact CE-CG1 4.14Å; M149-V206 HydrophobicContact CG-CG1 4.3Å; M202-V206 VanDerWaalsContact O-CG1 3.3Å; M202-V206 WeakPolarHBondContact O-CG1 3.43Å; M202-V206 PolarHBondContact O-N 3.09Å; V206-Y210 HydrophobicContact CB-CD1 4.02Å; V206-Y210 HydrophobicContact CG1-CD1 4.3Å
207	M	96.5	Very high	97.4	Very high	36 Å²	36	26.9 Å²	26.9	18%	0.177	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	2.8	176	-72.8	-65.9	168.9	0	0	113.7	C130 L141 Q142 L145 E205 L211	C130-M207 HydrophobicContact CB-SD 4.29Å; L141-M207 HydrophobicContact CB-CE 4.01Å; L141-M207 HydrophobicContact CD2-CE 3.98Å; L141-M207 HydrophobicContact CG-CE 3.75Å; Q142-M207 HydrophobicContact CB-CE 3.56Å; Q142-M207 HydrophobicContact CB-CG 4.39Å; Q142-M207 HydrophobicContact CG-CE 4.18Å; Q142-M207 HydrophobicContact CG-CG 4.02Å; L145-M207 HydrophobicContact CD1-CE 4.26Å; E205-M207 PolarHBondContact O-N 2.99Å; M207-L211 WeakPolarHBondContact O-CD1 3.12Å; M207-L211 HydrophobicContact SD-CD1 3.96Å; M207-L211 HydrophobicContact SD-CD2 4.04Å; M207-L211 HydrophobicContact SD-CG 4.42Å
208	G	95.2	Very high	97.2	Very high	27 Å²	27	22.7 Å²	22.7	28%	0.278	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-144.2	172	0	0	0	0	0	112.2	W122 E205 Y210 L211	W122-G208 VanDerWaalsContact CZ3-O 3.26Å; W122-G208 WeakPolarHBondContact CZ3-O 3.43Å; E205-G208 PolarHBondContact O-N 2.92Å; G208-Y210 PolarHBondContact O-N 3.28Å; G208-L211 WeakPolarHBondContact O-CB 3.31Å; G208-L211 PolarHBondContact O-N 2.97Å
209	I	95.5	Very high	97.1	Very high	6 Å²	6	22 Å²	22	3%	0.031	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13	-179.5	64.1	156.7	0	0	0	114.1	M179 S180 F183 L211 L212 T305	M179-I209 HydrophobicContact CB-CD1 3.52Å; S180-I209 VanDerWaalsContact CA-CD1 3.5Å; S180-I209 VanDerWaalsContact N-CD1 3.3Å; F183-I209 HydrophobicContact CB-CD1 4.48Å; F183-I209 HydrophobicContact CB-CG2 3.82Å; F183-I209 HydrophobicContact CD1-CG2 3.43Å; F183-I209 VanDerWaalsContact CD1-CG2 3.43Å; F183-I209 HydrophobicContact CD2-CG2 3.68Å; F183-I209 HydrophobicContact CE1-CG2 3.8Å; F183-I209 HydrophobicContact CE2-CG2 4.03Å; F183-I209 HydrophobicContact CG-CG2 3.35Å; F183-I209 HydrophobicContact CZ-CG2 4.07Å; I209-L211 PolarHBondContact O-N 3.36Å; I209-L212 HydrophobicContact CB-CD1 4.37Å; I209-L212 VanDerWaalsContact O-CB 3.29Å; I209-L212 WeakPolarHBondContact O-CB 3.11Å; I209-L212 PolarHBondContact O-N 2.8Å; I209-T305 HydrophobicContact CD1-CG2 3.69Å
210	Y	97.8	Very high	97	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.02	13%	0.133	C	C	.	.	H	α-helix	trans	-56.3	-33.3	171.5	-174.9	-116.2	0	0	0	111.8	L145 M149 L176 V206 G208 L212 Q213 L214 F347 F349 M350	L145-Y210 HydrophobicContact CD2-CE1 4.36Å; M149-Y210 HydrophobicContact CE-CD1 4.08Å; M149-Y210 HydrophobicContact CE-CD2 3.78Å; M149-Y210 HydrophobicContact CE-CE1 3.83Å; M149-Y210 HydrophobicContact CE-CE2 3.51Å; M149-Y210 HydrophobicContact CE-CG 4.06Å; L176-Y210 HydrophobicContact CD1-CD2 4.18Å; L176-Y210 HydrophobicContact CD1-CE2 4.11Å; V206-Y210 HydrophobicContact CB-CD1 4.02Å; V206-Y210 HydrophobicContact CG1-CD1 4.3Å; G208-Y210 PolarHBondContact O-N 3.28Å; Y210-L212 PolarHBondContact O-N 2.87Å; Y210-Q213 HydrophobicContact CD2-CG 4.26Å; Y210-Q213 WeakPolarHBondContact O-CB 3.36Å; Y210-Q213 PolarHBondContact O-N 2.91Å; Y210-L214 HydrophobicContact CD1-CD1 4.11Å; Y210-L214 HydrophobicContact CD1-CG 4.5Å; Y210-L214 HydrophobicContact CE1-CD1 3.91Å; Y210-L214 HydrophobicContact CE1-CD2 4.16Å; Y210-L214 HydrophobicContact CE1-CG 4.23Å; Y210-L214 PolarHBondContact O-N 3.46Å; Y210-F347 WeakPolarHBondContact OH-CD2 3.37Å; Y210-F349 HydrophobicContact CE2-CE1 4.28Å; Y210-F349 AromaticContact CE2-CZ 3.92Å; Y210-F349 HydrophobicContact CE2-CZ 3.92Å; Y210-M350 HydrophobicContact CE2-CE 4.4Å
211	L	97.3	Very high	96.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-28.5	174.6	-65.1	175.3	0	0	0	113.4	W122 V126 M129 L145 M207 G208 I209 Q213 L214	W122-L211 HydrophobicContact CH2-CD1 4.14Å; W122-L211 HydrophobicContact CZ3-CB 4.3Å; W122-L211 HydrophobicContact CZ3-CD1 4.43Å; V126-L211 HydrophobicContact CB-CB 4.49Å; V126-L211 HydrophobicContact CG2-CB 4.16Å; M129-L211 HydrophobicContact CE-CB 4.26Å; M129-L211 HydrophobicContact CE-CD1 3.61Å; M129-L211 HydrophobicContact CE-CD2 3.73Å; M129-L211 HydrophobicContact CE-CG 4.07Å; L145-L211 HydrophobicContact CD1-CD2 3.88Å; M207-L211 WeakPolarHBondContact O-CD1 3.12Å; M207-L211 HydrophobicContact SD-CD1 3.96Å; M207-L211 HydrophobicContact SD-CD2 4.04Å; M207-L211 HydrophobicContact SD-CG 4.42Å; G208-L211 WeakPolarHBondContact O-CB 3.31Å; G208-L211 PolarHBondContact O-N 2.97Å; I209-L211 PolarHBondContact O-N 3.36Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-L214 HydrophobicContact CD2-CD1 4.31Å; L211-L214 PolarHBondContact O-N 2.85Å
212	L	97.1	Very high	96.8	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-67.4	-34.7	175	-65.1	174.3	0	0	0	111.8	Q121 W122 T125 V126 I209 Y210 L214 N215 L306	Q121-L212 HydrophobicContact CG-CD2 4.36Å; W122-L212 HydrophobicContact CE3-CD1 4.29Å; W122-L212 HydrophobicContact CE3-CD2 4.3Å; W122-L212 HydrophobicContact CE3-CG 4.07Å; T125-L212 WeakPolarHBondContact OG1-CD2 3.44Å; V126-L212 HydrophobicContact CG2-CD2 3.69Å; V126-L212 HydrophobicContact CG2-CG 4.28Å; I209-L212 HydrophobicContact CB-CD1 4.37Å; I209-L212 VanDerWaalsContact O-CB 3.29Å; I209-L212 WeakPolarHBondContact O-CB 3.11Å; I209-L212 PolarHBondContact O-N 2.8Å; Y210-L212 PolarHBondContact O-N 2.87Å; L212-L214 PolarHBondContact O-N 3.15Å; L212-N215 PolarHBondContact O-N 2.81Å; L212-L306 HydrophobicContact CB-CD1 3.86Å
213	Q	98	Very high	96.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-29.8	178.8	-48	-53.5	-60.6	0	0	112	L176 Y210 L211 N215 T305 T307 F349	L176-Q213 VanDerWaalsContact CD2-CD 3.47Å; L176-Q213 HydrophobicContact CD2-CG 3.52Å; Y210-Q213 HydrophobicContact CD2-CG 4.26Å; Y210-Q213 WeakPolarHBondContact O-CB 3.36Å; Y210-Q213 PolarHBondContact O-N 2.91Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; Q213-N215 PolarHBondContact O-N 2.92Å; Q213-T305 PolarHBondContact NE2-O 3.49Å; Q213-T307 PolarHBondContact OE1-OG1 2.91Å; Q213-T307 VanDerWaalsContact OE1-OG1 3.06Å; Q213-F349 HydrophobicContact CB-CD1 4.3Å; Q213-F349 HydrophobicContact CB-CD2 4.13Å; Q213-F349 HydrophobicContact CB-CE1 3.9Å; Q213-F349 HydrophobicContact CB-CE2 3.73Å; Q213-F349 HydrophobicContact CB-CG 4.4Å; Q213-F349 HydrophobicContact CB-CZ 3.57Å; Q213-F349 HydrophobicContact CG-CE2 4.2Å; Q213-F349 HydrophobicContact CG-CZ 4.2Å
214	L	97.2	Very high	96.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	8.1	-176.7	-59.2	176.3	0	0	0	112.9	L145 Y210 L211 L212 G216 D217 L218 F347 F349	L145-L214 HydrophobicContact CD1-CD1 3.72Å; L145-L214 HydrophobicContact CD2-CD1 3.57Å; L145-L214 HydrophobicContact CG-CD1 4.31Å; Y210-L214 HydrophobicContact CD1-CD1 4.11Å; Y210-L214 HydrophobicContact CD1-CG 4.5Å; Y210-L214 HydrophobicContact CE1-CD1 3.91Å; Y210-L214 HydrophobicContact CE1-CD2 4.16Å; Y210-L214 HydrophobicContact CE1-CG 4.23Å; Y210-L214 PolarHBondContact O-N 3.46Å; L211-L214 HydrophobicContact CD2-CD1 4.31Å; L211-L214 PolarHBondContact O-N 2.85Å; L212-L214 PolarHBondContact O-N 3.15Å; L214-G216 VanDerWaalsContact C-N 3.3Å; L214-G216 PolarHBondContact O-N 2.86Å; L214-G216 VanDerWaalsContact O-N 3.14Å; L214-D217 HydrophobicContact CD2-CB 4.47Å; L214-D217 PolarHBondContact O-N 2.88Å; L214-L218 HydrophobicContact CB-CB 4.33Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 2.84Å; L214-F347 HydrophobicContact CD2-CB 4.5Å; L214-F347 HydrophobicContact CD2-CD1 4.39Å; L214-F347 HydrophobicContact CD2-CD2 3.65Å; L214-F347 HydrophobicContact CD2-CE2 3.84Å; L214-F347 HydrophobicContact CD2-CG 3.94Å; L214-F347 HydrophobicContact CD2-CZ 4.31Å; L214-F349 HydrophobicContact CD2-CD1 4.43Å; L214-F349 HydrophobicContact CD2-CE1 4.01Å
215	N	95	Very high	96.6	Very high	23 Å²	23	11.9 Å²	11.9	12%	0.123	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-48.6	-171.7	-173	-84.3	0	0	0	113.6	L212 Q213 V310	L212-N215 PolarHBondContact O-N 2.81Å; Q213-N215 PolarHBondContact O-N 2.92Å; N215-V310 HydrophobicContact CB-CG1 3.88Å; N215-V310 HydrophobicContact CB-CG2 4.33Å; N215-V310 WeakPolarHBondContact OD1-CG1 3.39Å
216	G	95	Very high	96.6	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.031	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-34	176.9	0	0	0	0	0	114.3	L214 Y377	L214-G216 VanDerWaalsContact C-N 3.3Å; L214-G216 PolarHBondContact O-N 2.86Å; L214-G216 VanDerWaalsContact O-N 3.14Å; G216-Y377 VanDerWaalsContact C-CG 3.43Å; G216-Y377 WeakPolarHBondContact O-CB 3.44Å
217	D	97.7	Very high	96.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-29.4	-178.4	-70.3	-85.7	0	0	0	113.3	L214 G219 D220 L221 F347 T348 T376	L214-D217 HydrophobicContact CD2-CB 4.47Å; L214-D217 PolarHBondContact O-N 2.88Å; D217-G219 VanDerWaalsContact C-N 3.32Å; D217-G219 PolarHBondContact O-N 2.9Å; D217-D220 PolarHBondContact O-N 2.89Å; D217-L221 WeakPolarHBondContact O-CB 3.39Å; D217-L221 PolarHBondContact O-N 2.86Å; D217-F347 HydrophobicContact CB-CD1 3.96Å; D217-T348 WeakPolarHBondContact OD1-CB 3.45Å; D217-T348 PolarHBondContact OD1-N 3.48Å; D217-T376 VanDerWaalsContact OD1-CB 3.26Å; D217-T376 WeakPolarHBondContact OD1-CB 3.47Å; D217-T376 PolarHBondContact OD1-OG1 3.13Å
218	L	95.8	Very high	96.3	Very high	4 Å²	4	15 Å²	15	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-34.5	-166.7	-168.7	65.1	0	0	0	112.1	M129 L141 L214 L221 V222 I242	M129-L218 HydrophobicContact CE-CD2 3.86Å; M129-L218 HydrophobicContact SD-CD2 3.94Å; L141-L218 HydrophobicContact CD1-CD1 4.3Å; L141-L218 HydrophobicContact CD2-CD1 4.17Å; L214-L218 HydrophobicContact CB-CB 4.33Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 2.84Å; L218-L221 PolarHBondContact O-N 2.91Å; L218-V222 HydrophobicContact CD1-CG1 4.06Å; L218-V222 HydrophobicContact CG-CG1 4.15Å; L218-V222 WeakPolarHBondContact O-CG1 2.99Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.39Å; L218-V222 PolarHBondContact O-N 2.87Å; L218-I242 HydrophobicContact CB-CD1 4.38Å; L218-I242 HydrophobicContact CD2-CD1 3.46Å; L218-I242 VanDerWaalsContact CD2-CD1 3.46Å; L218-I242 HydrophobicContact CG-CD1 3.55Å
219	G	95	Very high	96.3	Very high	16 Å²	16	17.8 Å²	17.8	17%	0.165	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-42.7	-179.9	0	0	0	0	0	113.9	D217 V222 S223 I242	D217-G219 VanDerWaalsContact C-N 3.32Å; D217-G219 PolarHBondContact O-N 2.9Å; G219-V222 WeakPolarHBondContact O-CG2 3.37Å; G219-S223 WeakPolarHBondContact O-CB 3.11Å; G219-S223 PolarHBondContact O-N 2.82Å; G219-S223 PolarHBondContact O-OG 2.94Å; G219-I242 VanDerWaalsContact CA-CG2 3.47Å
220	D	96.7	Very high	96.3	Very high	25 Å²	25	17.7 Å²	17.7	13%	0.134	11%	0.114	C	C	.	.	H	α-helix	trans	-70.9	-42.1	173.9	-72.1	-32.4	0	0	0	110.5	D217 S223 A224 W335 T376 Y377 N378	D217-D220 PolarHBondContact O-N 2.89Å; D220-S223 WeakPolarHBondContact O-CB 3.32Å; D220-S223 PolarHBondContact O-N 3.08Å; D220-A224 WeakPolarHBondContact O-CB 3.28Å; D220-A224 PolarHBondContact O-N 3.12Å; D220-W335 HydrophobicContact CB-CH2 3.97Å; D220-W335 HydrophobicContact CB-CZ3 4.04Å; D220-W335 VanDerWaalsContact OD1-CH2 3.28Å; D220-W335 WeakPolarHBondContact OD1-CH2 3.4Å; D220-T376 HydrophobicContact CB-CG2 4.09Å; D220-Y377 WeakPolarHBondContact OD2-CA 3.48Å; D220-Y377 PolarHBondContact OD2-N 3.45Å; D220-N378 PolarHBondContact OD2-N 3.26Å; D220-N378 PolarHBondContact OD2-ND2 3.43Å
221	L	97.4	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-50.5	-179.6	-174.9	61.3	0	0	0	112.3	L141 Y144 L145 D217 L218 S223 A224 L225 V338 F347 T376	L141-L221 HydrophobicContact CD1-CD2 3.65Å; L141-L221 HydrophobicContact CD1-CG 4.21Å; Y144-L221 HydrophobicContact CD1-CD1 3.74Å; Y144-L221 HydrophobicContact CD1-CD2 4.26Å; Y144-L221 HydrophobicContact CE1-CD1 3.51Å; Y144-L221 HydrophobicContact CE1-CD2 4.47Å; Y144-L221 HydrophobicContact CE2-CD1 4.3Å; Y144-L221 HydrophobicContact CG-CD1 4.26Å; L145-L221 HydrophobicContact CD2-CD2 3.76Å; D217-L221 WeakPolarHBondContact O-CB 3.39Å; D217-L221 PolarHBondContact O-N 2.86Å; L218-L221 PolarHBondContact O-N 2.91Å; L221-S223 PolarHBondContact O-N 2.51Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-A224 VanDerWaalsContact O-N 3.15Å; L221-L225 HydrophobicContact CD1-CD1 3.85Å; L221-L225 HydrophobicContact CD1-CG 4.03Å; L221-L225 HydrophobicContact CG-CD1 3.91Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.44Å; L221-L225 PolarHBondContact O-N 3.3Å; L221-V338 HydrophobicContact CD1-CG1 4.18Å; L221-F347 HydrophobicContact CD2-CE1 4.17Å; L221-F347 HydrophobicContact CD2-CZ 4.04Å; L221-T376 HydrophobicContact CB-CG2 4.35Å
222	V	96.2	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-27.8	178.9	-62.1	0	0	0	0	112.5	L218 G219 S226 V227 L230 K231 I242	L218-V222 HydrophobicContact CD1-CG1 4.06Å; L218-V222 HydrophobicContact CG-CG1 4.15Å; L218-V222 WeakPolarHBondContact O-CG1 2.99Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.39Å; L218-V222 PolarHBondContact O-N 2.87Å; G219-V222 WeakPolarHBondContact O-CG2 3.37Å; V222-S226 PolarHBondContact O-N 2.65Å; V222-V227 HydrophobicContact CB-CG2 3.68Å; V222-V227 HydrophobicContact CG1-CG2 3.95Å; V222-V227 WeakPolarHBondContact O-CG2 3.13Å; V222-V227 PolarHBondContact O-N 2.8Å; V222-L230 HydrophobicContact CG1-CB 4.19Å; V222-K231 HydrophobicContact CG2-CB 3.94Å; V222-K231 HydrophobicContact CG2-CG 4.18Å; V222-I242 HydrophobicContact CG1-CD1 3.99Å; V222-I242 HydrophobicContact CG2-CD1 4.02Å; V222-I242 HydrophobicContact CG2-CG1 4.11Å
223	S	95.7	Very high	95.8	Very high	22 Å²	22	30.5 Å²	30.5	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-43.8	173.1	-61.5	0	0	0	0	111	G219 D220 L221 S226 K231	G219-S223 WeakPolarHBondContact O-CB 3.11Å; G219-S223 PolarHBondContact O-N 2.82Å; G219-S223 PolarHBondContact O-OG 2.94Å; D220-S223 WeakPolarHBondContact O-CB 3.32Å; D220-S223 PolarHBondContact O-N 3.08Å; L221-S223 PolarHBondContact O-N 2.51Å; S223-S226 PolarHBondContact O-N 3.38Å; S223-K231 WeakPolarHBondContact OG-CE 3.45Å; S223-K231 PolarHBondContact OG-NZ 2.8Å
224	A	97.6	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-38.5	-178.7	0	0	0	0	0	113.5	D220 L221 S226 W335 V338 R339	D220-A224 WeakPolarHBondContact O-CB 3.28Å; D220-A224 PolarHBondContact O-N 3.12Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-A224 VanDerWaalsContact O-N 3.15Å; A224-S226 PolarHBondContact O-N 2.97Å; A224-W335 HydrophobicContact CB-CB 3.84Å; A224-W335 HydrophobicContact CB-CD2 4.12Å; A224-W335 HydrophobicContact CB-CE3 4.01Å; A224-W335 HydrophobicContact CB-CG 4.07Å; A224-V338 HydrophobicContact CB-CB 3.61Å; A224-V338 HydrophobicContact CB-CG1 3.61Å; A224-V338 HydrophobicContact CB-CG2 4.46Å; A224-R339 PolarHBondContact O-NE 2.73Å; A224-R339 PolarHBondContact O-NH2 3.29Å
225	L	97.8	Very high	95.6	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.11	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.7	176	-63.4	-179.2	0	0	0	113.3	V140 L141 Y144 L221 V227 R339	V140-L225 HydrophobicContact CG1-CB 4.24Å; V140-L225 HydrophobicContact CG1-CD1 4.4Å; L141-L225 HydrophobicContact CD1-CD1 4.09Å; Y144-L225 HydrophobicContact CD2-CD1 4.35Å; Y144-L225 HydrophobicContact CD2-CD2 3.63Å; Y144-L225 HydrophobicContact CE2-CD2 4.16Å; Y144-L225 HydrophobicContact CG-CD1 4.09Å; Y144-L225 HydrophobicContact CG-CD2 4.21Å; L221-L225 HydrophobicContact CD1-CD1 3.85Å; L221-L225 HydrophobicContact CD1-CG 4.03Å; L221-L225 HydrophobicContact CG-CD1 3.91Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.44Å; L221-L225 PolarHBondContact O-N 3.3Å; L225-V227 HydrophobicContact CB-CG1 4.25Å; L225-V227 HydrophobicContact CB-CG2 4.15Å; L225-V227 PolarHBondContact O-N 3.47Å; L225-R339 HydrophobicContact CD2-CG 4.28Å
226	S	96.2	Very high	95.5	Very high	81 Å²	81	44.5 Å²	44.5	57%	0.566	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	47.5	-179.5	-58.7	0	0	0	0	112.7	V222 S223 A224 P228 R339	V222-S226 PolarHBondContact O-N 2.65Å; S223-S226 PolarHBondContact O-N 3.38Å; A224-S226 PolarHBondContact O-N 2.97Å; S226-P228 VanDerWaalsContact C-CD 3.49Å; S226-P228 WeakPolarHBondContact O-CD 3.31Å; S226-R339 PolarHBondContact OG-NH2 3.31Å
227	V	96.3	Very high	95.4	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	24%	0.236	C	C	.	.			trans	-107	78	-179.8	-70.8	0	0	0	0	110.9	D137 V140 V222 L225 T229 L230 K231	D137-V227 HydrophobicContact CB-CB 3.83Å; D137-V227 HydrophobicContact CB-CG1 3.89Å; D137-V227 WeakPolarHBondContact OD2-CA 3.31Å; V140-V227 HydrophobicContact CB-CG1 4.12Å; V140-V227 HydrophobicContact CG1-CG1 4Å; V222-V227 HydrophobicContact CB-CG2 3.68Å; V222-V227 HydrophobicContact CG1-CG2 3.95Å; V222-V227 WeakPolarHBondContact O-CG2 3.13Å; V222-V227 PolarHBondContact O-N 2.8Å; L225-V227 HydrophobicContact CB-CG1 4.25Å; L225-V227 HydrophobicContact CB-CG2 4.15Å; L225-V227 PolarHBondContact O-N 3.47Å; V227-T229 VanDerWaalsContact C-N 3.3Å; V227-T229 PolarHBondContact O-N 3.29Å; V227-L230 HydrophobicContact CB-CD1 4.32Å; V227-L230 HydrophobicContact CG2-CB 4.28Å; V227-L230 HydrophobicContact CG2-CD1 4.03Å; V227-L230 PolarHBondContact O-N 2.73Å; V227-K231 PolarHBondContact O-N 2.99Å
228	P	92.3	Very high	95.2	Very high	68 Å²	68	46.2 Å²	46.2	44%	0.442	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-25.1	-167.9	28.7	-37.4	0	0	0	113.9	D137 S226 L230 K231 K232	D137-P228 WeakPolarHBondContact OD2-CD 3.26Å; S226-P228 VanDerWaalsContact C-CD 3.49Å; S226-P228 WeakPolarHBondContact O-CD 3.31Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-K231 PolarHBondContact O-N 2.67Å; P228-K232 WeakPolarHBondContact O-CB 3.35Å; P228-K232 WeakPolarHBondContact O-CG 3.36Å; P228-K232 PolarHBondContact O-N 3.25Å
229	T	94.7	Very high	95.2	Very high	84 Å²	84	46.1 Å²	46.1	52%	0.515	25%	0.246	S	C	.	.	H	α-helix	trans	-68.3	-37.3	179.4	65.7	0	0	0	0	110.8	D137 V227 G233	D137-T229 VanDerWaalsContact CB-OG1 3.29Å; D137-T229 WeakPolarHBondContact CB-OG1 3.44Å; D137-T229 WeakPolarHBondContact OD2-CB 3.36Å; D137-T229 WeakPolarHBondContact OD2-CG2 3.39Å; D137-T229 PolarHBondContact OD2-N 2.86Å; D137-T229 PolarHBondContact OD2-OG1 2.75Å; V227-T229 VanDerWaalsContact C-N 3.3Å; V227-T229 PolarHBondContact O-N 3.29Å; T229-G233 VanDerWaalsContact O-CA 3.29Å; T229-G233 WeakPolarHBondContact O-CA 3.48Å; T229-G233 PolarHBondContact O-N 2.94Å
230	L	95.9	Very high	95.1	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-70	-46.8	172.8	-63.5	-178.2	0	0	0	111.4	M129 D137 L141 V222 V227 P228 K232 G233	M129-L230 HydrophobicContact CG-CD2 3.93Å; D137-L230 HydrophobicContact CB-CD1 4.36Å; D137-L230 HydrophobicContact CB-CG 4.18Å; L141-L230 HydrophobicContact CB-CD1 4.1Å; L141-L230 HydrophobicContact CD2-CD1 3.8Å; V222-L230 HydrophobicContact CG1-CB 4.19Å; V227-L230 HydrophobicContact CB-CD1 4.32Å; V227-L230 HydrophobicContact CG2-CB 4.28Å; V227-L230 HydrophobicContact CG2-CD1 4.03Å; V227-L230 PolarHBondContact O-N 2.73Å; P228-L230 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 2.86Å; L230-G233 PolarHBondContact O-N 3.47Å; L230-G233 VanDerWaalsContact O-N 3.09Å
231	K	94.2	Very high	94.9	Very high	95 Å²	95	47.6 Å²	47.6	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-58.1	-32.9	-179.6	-173.9	168.3	-180	166.4	0	113.7	V222 S223 V227 P228	V222-K231 HydrophobicContact CG2-CB 3.94Å; V222-K231 HydrophobicContact CG2-CG 4.18Å; S223-K231 WeakPolarHBondContact OG-CE 3.45Å; S223-K231 PolarHBondContact OG-NZ 2.8Å; V227-K231 PolarHBondContact O-N 2.99Å; P228-K231 PolarHBondContact O-N 2.67Å
232	K	93.8	Very high	94.8	Very high	174 Å²	174	48.7 Å²	48.7	76%	0.757	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-2.4	-179.7	-61.9	177	-176	175.9	0	113.1	P228 L230	P228-K232 WeakPolarHBondContact O-CB 3.35Å; P228-K232 WeakPolarHBondContact O-CG 3.36Å; P228-K232 PolarHBondContact O-N 3.25Å; L230-K232 PolarHBondContact O-N 2.86Å
233	G	94.3	Very high	94.2	Very high	14 Å²	14	49 Å²	49	14%	0.144	26%	0.26	C	S	.	.			trans	-70.6	153.2	-173.2	0	0	0	0	0	112.6	T229 L230 P240 F241	T229-G233 VanDerWaalsContact O-CA 3.29Å; T229-G233 WeakPolarHBondContact O-CA 3.48Å; T229-G233 PolarHBondContact O-N 2.94Å; L230-G233 PolarHBondContact O-N 3.47Å; L230-G233 VanDerWaalsContact O-N 3.09Å; G233-P240 WeakPolarHBondContact O-CA 3.15Å; G233-F241 VanDerWaalsContact C-CD2 3.4Å; G233-F241 PolarHBondContact O-N 2.93Å
234	K	94.7	Very high	93.7	Very high	135 Å²	135	50.5 Å²	50.5	59%	0.587	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-132.1	148.7	175.4	-67.8	177.4	167.8	-160.6	0	109.2	G238 H239 F241	K234-G238 WeakPolarHBondContact CD-O 3.12Å; K234-H239 CarbonylContact C-O 3.59Å; K234-H239 WeakPolarHBondContact CA-O 3.43Å; K234-H239 WeakPolarHBondContact CB-O 3.29Å; K234-F241 WeakPolarHBondContact O-CZ 3.35Å
235	N	94.5	Very high	92.9	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.043	28%	0.279	C	S	.	.			trans	-74.3	174.8	171	68.9	17.6	0	0	0	111.5	I123 N124 T125 D128 L237 G238 H239 F241	I123-N235 PolarHBondContact O-ND2 3.28Å; N124-N235 PolarHBondContact O-ND2 3Å; T125-N235 PolarHBondContact O-ND2 2.92Å; D128-N235 HydrophobicContact CB-CB 4.07Å; N235-L237 PolarHBondContact O-N 3.19Å; N235-L237 WeakPolarHBondContact OD1-CA 3.46Å; N235-L237 WeakPolarHBondContact OD1-CB 3.24Å; N235-L237 PolarHBondContact OD1-N 2.84Å; N235-L237 VanDerWaalsContact OD1-N 3.12Å; N235-G238 PolarHBondContact O-N 3.25Å; N235-G238 PolarHBondContact OD1-N 3.26Å; N235-G238 VanDerWaalsContact OD1-N 3.17Å; N235-H239 PolarHBondContact N-O 3.31Å; N235-H239 PolarHBondContact OD1-N 3.12Å; N235-H239 PolarHBondContact OD1-O 3.12Å; N235-F241 VanDerWaalsContact CA-CE1 3.49Å; N235-F241 HydrophobicContact CB-CD1 4.25Å; N235-F241 HydrophobicContact CB-CE1 3.74Å; N235-F241 VanDerWaalsContact N-CE1 3.26Å
236	K	94.2	Very high	92.5	Very high	175 Å²	175	51.8 Å²	51.8	76%	0.761	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	-178.1	-71.2	174.9	-178.8	179.6	0	113.7	D128 G238	D128-K236 HydrophobicContact CB-CG 4.48Å; D128-K236 IonicContact OD1-NZ 2.77Å; D128-K236 VanDerWaalsContact OD2-CB 3.32Å; D128-K236 WeakPolarHBondContact OD2-CB 3.24Å; D128-K236 VanDerWaalsContact OD2-CG 3.28Å; D128-K236 WeakPolarHBondContact OD2-CG 3.3Å; D128-K236 PolarHBondContact OD2-N 2.97Å; K236-G238 VanDerWaalsContact C-N 3.26Å
237	L	93.5	Very high	92.6	Very high	18 Å²	18	48 Å²	48	9%	0.094	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.1	175.3	-58.5	178.4	0	0	0	112.8	I123 N235 E566	I123-L237 HydrophobicContact CG2-CD1 4.09Å; N235-L237 PolarHBondContact O-N 3.19Å; N235-L237 WeakPolarHBondContact OD1-CA 3.46Å; N235-L237 WeakPolarHBondContact OD1-CB 3.24Å; N235-L237 PolarHBondContact OD1-N 2.84Å; N235-L237 VanDerWaalsContact OD1-N 3.12Å; L237-E566 HydrophobicContact CB-CB 4.31Å; L237-E566 HydrophobicContact CD2-CB 3.88Å; L237-E566 VanDerWaalsContact CD2-CD 3.42Å; L237-E566 HydrophobicContact CD2-CG 3.9Å; L237-E566 VanDerWaalsContact CD2-OE2 3.25Å; L237-E566 WeakPolarHBondContact CD2-OE2 3.28Å; L237-E566 PolarHBondContact O-N 3.09Å
238	G	93.3	Very high	92.7	Very high	21 Å²	21	47.8 Å²	47.8	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	89.8	5	178.9	0	0	0	0	0	115	K234 N235 K236	K234-G238 WeakPolarHBondContact CD-O 3.12Å; N235-G238 PolarHBondContact O-N 3.25Å; N235-G238 PolarHBondContact OD1-N 3.26Å; N235-G238 VanDerWaalsContact OD1-N 3.17Å; K236-G238 VanDerWaalsContact C-N 3.26Å
239	H	94.1	Very high	93	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.014	23%	0.232	C	C	.	.			trans	-88.8	141.6	180	-58.2	-68.2	0	0	0	111.3	K234 N235 S269 W559 V565 E566	K234-H239 CarbonylContact C-O 3.59Å; K234-H239 WeakPolarHBondContact CA-O 3.43Å; K234-H239 WeakPolarHBondContact CB-O 3.29Å; N235-H239 PolarHBondContact N-O 3.31Å; N235-H239 PolarHBondContact OD1-N 3.12Å; N235-H239 PolarHBondContact OD1-O 3.12Å; H239-S269 VanDerWaalsContact CG-CB 3.5Å; H239-W559 AromaticContact CE1-CH2 3.57Å; H239-W559 AromaticContact CE1-CZ3 3.67Å; H239-V565 WeakPolarHBondContact CE1-CG1 3.48Å; H239-E566 PolarHBondContact NE2-O 3.06Å
240	P	93.6	Very high	93.2	Very high	48 Å²	48	40.6 Å²	40.6	31%	0.312	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-65.9	145.5	179.3	29.9	-35.6	0	0	0	111.7	G233 I242 T267	G233-P240 WeakPolarHBondContact O-CA 3.15Å; P240-I242 VanDerWaalsContact C-N 3.28Å; P240-T267 HydrophobicContact CG-CG2 3.83Å
241	F	93.6	Very high	93.4	Very high	23 Å²	23	40.4 Å²	40.4	10%	0.101	21%	0.206	C	C	.	.	S	Bend	trans	-67.3	-33.7	172.9	-60.5	-41.7	0	0	0	112.4	D128 M129 G233 K234 N235	D128-F241 HydrophobicContact CB-CE1 4.16Å; D128-F241 HydrophobicContact CB-CZ 4.43Å; D128-F241 WeakPolarHBondContact O-CZ 3.48Å; M129-F241 HydrophobicContact CB-CD1 3.88Å; M129-F241 HydrophobicContact CB-CD2 4.28Å; M129-F241 HydrophobicContact CB-CE1 4.02Å; M129-F241 HydrophobicContact CB-CE2 4.44Å; M129-F241 HydrophobicContact CB-CG 4.02Å; M129-F241 HydrophobicContact CB-CZ 4.32Å; M129-F241 HydrophobicContact CG-CB 4.39Å; M129-F241 HydrophobicContact CG-CD1 4.46Å; M129-F241 HydrophobicContact CG-CD2 4.07Å; M129-F241 HydrophobicContact CG-CE2 4.46Å; M129-F241 HydrophobicContact CG-CG 4.09Å; M129-F241 HydrophobicContact SD-CB 3.94Å; M129-F241 HydrophobicContact SD-CG 4.29Å; G233-F241 VanDerWaalsContact C-CD2 3.4Å; G233-F241 PolarHBondContact O-N 2.93Å; K234-F241 WeakPolarHBondContact O-CZ 3.35Å; N235-F241 VanDerWaalsContact CA-CE1 3.49Å; N235-F241 HydrophobicContact CB-CD1 4.25Å; N235-F241 HydrophobicContact CB-CE1 3.74Å; N235-F241 VanDerWaalsContact N-CE1 3.26Å
242	I	93.4	Very high	93.6	Very high	23 Å²	23	37 Å²	37	12%	0.118	19%	0.191	C	C	.	.	S	Bend	trans	-100.9	118.5	-174.1	-51.8	-55.5	0	0	0	108.9	L218 G219 V222 P240	L218-I242 HydrophobicContact CB-CD1 4.38Å; L218-I242 HydrophobicContact CD2-CD1 3.46Å; L218-I242 VanDerWaalsContact CD2-CD1 3.46Å; L218-I242 HydrophobicContact CG-CD1 3.55Å; G219-I242 VanDerWaalsContact CA-CG2 3.47Å; V222-I242 HydrophobicContact CG1-CD1 3.99Å; V222-I242 HydrophobicContact CG2-CD1 4.02Å; V222-I242 HydrophobicContact CG2-CG1 4.11Å; P240-I242 VanDerWaalsContact C-N 3.28Å
243	A	84.9	Confident	93.8	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.162	C	C	.	.			trans	-65.8	154.3	169.4	0	0	0	0	0	110.3	P245	A243-P245 WeakPolarHBondContact O-CD 3.27Å
244	S	84.9	Confident	94	Very high	52 Å²	52	30.1 Å²	30.1	36%	0.364	16%	0.16	S	C	.	.			trans	-112.8	68.5	175.8	174.1	0	0	0	0	109	S246 R523 H525	S244-S246 PolarHBondContact O-N 3.33Å; S244-R523 PolarHBondContact OG-NH1 2.89Å; S244-H525 PolarHBondContact O-NE2 2.59Å
245	P	81.5	Confident	93.9	Very high	29 Å²	29	30.9 Å²	30.9	19%	0.188	17%	0.17	C	C	.	.			trans	-56.2	132.6	-171.9	24.9	-34.6	0	0	0	111.6	A243 T326 Y377	A243-P245 WeakPolarHBondContact O-CD 3.27Å; P245-T326 HydrophobicContact CB-CG2 4.41Å; P245-T326 HydrophobicContact CG-CG2 4.15Å; P245-Y377 HydrophobicContact CB-CE2 3.96Å; P245-Y377 HydrophobicContact CG-CD2 4.44Å; P245-Y377 HydrophobicContact CG-CE2 4.17Å
246	S	89.6	Confident	93.7	Very high	19 Å²	19	38 Å²	38	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	153.9	178.4	173	0	0	0	0	106.9	S244 W265 N425	S244-S246 PolarHBondContact O-N 3.33Å; S246-W265 PolarHBondContact N-O 3.09Å; S246-W265 VanDerWaalsContact N-O 3.17Å; S246-W265 CarbonylContact O-C 3.6Å; S246-W265 WeakPolarHBondContact O-CA 3.23Å; S246-W265 WeakPolarHBondContact O-CB 3.45Å; S246-W265 PolarHBondContact O-N 2.91Å; S246-N425 WeakPolarHBondContact CA-ND2 3.5Å; S246-N425 PolarHBondContact OG-OD1 2.79Å
247	C	97.5	Very high	93.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159	-172.5	-59	0	0	0	0	111.6	H262 V263 D311 T325 N425 R456	C247-H262 WeakPolarHBondContact CB-NE2 3.38Å; C247-H262 PolarHBondContact SG-NE2 3.4Å; C247-H262 VanDerWaalsContact SG-NE2 3.42Å; C247-V263 VanDerWaalsContact CA-O 3.29Å; C247-V263 WeakPolarHBondContact CA-O 3.4Å; C247-D311 PolarHBondContact SG-O 2.86Å; C247-T325 HydrophobicContact CB-CG2 3.61Å; C247-N425 PolarHBondContact N-ND2 2.93Å; C247-N425 PolarHBondContact N-OD1 2.89Å; C247-N425 PolarHBondContact O-OD1 3.21Å; C247-R456 PolarHBondContact O-NH1 2.75Å
248	S	98.8	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.5	167.8	-58.2	0	0	0	0	109	V263 S423 R456 M477 I502	S248-V263 PolarHBondContact N-O 2.99Å; S248-V263 PolarHBondContact O-N 2.83Å; S248-S423 WeakPolarHBondContact CA-O 3.32Å; S248-R456 VanDerWaalsContact OG-CD 3.3Å; S248-R456 WeakPolarHBondContact OG-CD 3.46Å; S248-R456 PolarHBondContact OG-NH1 3.3Å; S248-M477 WeakPolarHBondContact O-CE 3.32Å; S248-I502 WeakPolarHBondContact CB-O 3.47Å; S248-I502 PolarHBondContact OG-O 3.47Å
249	A	98.9	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.4	175.3	0	0	0	0	0	111.1	S261 T325 M382 A422 S423	A249-S261 WeakPolarHBondContact CA-O 3.26Å; A249-T325 HydrophobicContact CB-CG2 3.96Å; A249-M382 HydrophobicContact CB-CE 3.8Å; A249-M382 HydrophobicContact CB-SD 3.98Å; A249-A422 WeakPolarHBondContact O-CA 3.38Å; A249-S423 PolarHBondContact N-O 2.96Å; A249-S423 PolarHBondContact O-N 3.21Å
250	L	98.9	Very high	94.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	128.1	174.6	-177.5	65.4	0	0	0	109.8	K252 S261 Y420 W421 A422 F460 V467 M473 L476 M477	L250-K252 HydrophobicContact CG-CB 4.45Å; L250-S261 PolarHBondContact N-O 3.45Å; L250-S261 VanDerWaalsContact N-O 3.08Å; L250-S261 PolarHBondContact O-N 2.93Å; L250-S261 PolarHBondContact O-OG 3.29Å; L250-Y420 HydrophobicContact CD1-CD2 3.66Å; L250-Y420 HydrophobicContact CD1-CG 4.3Å; L250-W421 WeakPolarHBondContact CA-O 3.37Å; L250-A422 HydrophobicContact CD1-CB 4.14Å; L250-F460 HydrophobicContact CB-CD1 4.48Å; L250-F460 HydrophobicContact CB-CE1 3.87Å; L250-F460 HydrophobicContact CB-CZ 4.36Å; L250-F460 HydrophobicContact CD1-CD1 4.02Å; L250-F460 HydrophobicContact CD1-CE1 4.27Å; L250-F460 HydrophobicContact CD2-CD1 4.13Å; L250-F460 HydrophobicContact CD2-CE1 4.06Å; L250-F460 HydrophobicContact CG-CD1 4.46Å; L250-F460 HydrophobicContact CG-CE1 4.3Å; L250-V467 HydrophobicContact CD2-CG2 4.4Å; L250-M473 HydrophobicContact CB-CE 4.16Å; L250-M473 HydrophobicContact CD2-CE 4.12Å; L250-M473 HydrophobicContact CD2-SD 3.77Å; L250-M473 HydrophobicContact CG-CE 4.03Å; L250-M473 HydrophobicContact CG-SD 4.33Å; L250-M473 VanDerWaalsContact O-CE 3.32Å; L250-M473 WeakPolarHBondContact O-CE 3.36Å; L250-L476 HydrophobicContact CD2-CD2 3.61Å; L250-M477 HydrophobicContact CB-CE 4.16Å; L250-M477 HydrophobicContact CB-SD 3.64Å; L250-M477 HydrophobicContact CD2-SD 4.4Å
251	I	98.8	Very high	94.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.6	168.3	-58.1	174	0	0	0	106.3	V258 Y259 L260 M382 F384 L396 L415 Y420 W421	I251-V258 HydrophobicContact CG2-CG1 3.58Å; I251-Y259 CarbonylContact C-O 3.54Å; I251-Y259 VanDerWaalsContact CA-O 3.28Å; I251-Y259 WeakPolarHBondContact CA-O 3.17Å; I251-L260 HydrophobicContact CD1-CD2 4Å; I251-L260 HydrophobicContact CG1-CD2 3.95Å; I251-L260 HydrophobicContact CG1-CG 4.23Å; I251-L260 HydrophobicContact CG2-CD2 4.21Å; I251-L260 HydrophobicContact CG2-CG 4.17Å; I251-M382 HydrophobicContact CD1-CB 4.28Å; I251-F384 HydrophobicContact CG2-CD2 4.47Å; I251-L396 HydrophobicContact CD1-CD1 3.54Å; I251-L396 HydrophobicContact CD1-CD2 3.72Å; I251-L396 HydrophobicContact CD1-CG 4.3Å; I251-L415 HydrophobicContact CG2-CD1 3.99Å; I251-L415 HydrophobicContact CG2-CD2 4.03Å; I251-Y420 CarbonylContact O-C 3.46Å; I251-Y420 WeakPolarHBondContact O-CA 3.15Å; I251-Y420 WeakPolarHBondContact O-CB 3.07Å; I251-W421 HydrophobicContact CB-CB 4.24Å; I251-W421 PolarHBondContact N-O 3.45Å; I251-W421 PolarHBondContact O-N 3.4Å
252	K	98.7	Very high	94.9	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.096	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.2	-172.6	178.6	75.9	-174.6	89.2	0	110.4	L250 V254 V258 Y259 G419 H464 V467 M473	L250-K252 HydrophobicContact CG-CB 4.45Å; K252-V254 HydrophobicContact CG-CG2 3.77Å; K252-V258 CarbonylContact O-C 3.31Å; K252-V258 WeakPolarHBondContact O-CA 3.36Å; K252-Y259 PolarHBondContact N-O 2.64Å; K252-Y259 PolarHBondContact O-N 2.68Å; K252-G419 WeakPolarHBondContact CD-O 3.29Å; K252-G419 PolarHBondContact NZ-O 3.38Å; K252-G419 VanDerWaalsContact NZ-O 3.13Å; K252-H464 HydrophobicContact CD-CB 4.36Å; K252-H464 WeakPolarHBondContact CD-O 3.47Å; K252-H464 WeakPolarHBondContact CE-O 3.47Å; K252-V467 HydrophobicContact CB-CG1 4.41Å; K252-V467 HydrophobicContact CD-CB 4.46Å; K252-V467 HydrophobicContact CG-CB 4.07Å; K252-V467 HydrophobicContact CG-CG1 3.96Å; K252-M473 HydrophobicContact CB-CE 4.06Å
253	I	98.2	Very high	95.2	Very high	29 Å²	29	26.2 Å²	26.2	15%	0.149	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.1	168.3	-54.2	172	0	0	0	108.5	V258 W389 L415 G419	I253-V258 HydrophobicContact CG1-CG2 4.46Å; I253-W389 HydrophobicContact CD1-CH2 3.34Å; I253-W389 HydrophobicContact CD1-CZ2 3.68Å; I253-W389 HydrophobicContact CD1-CZ3 4.45Å; I253-W389 HydrophobicContact CG1-CH2 3.83Å; I253-W389 HydrophobicContact CG1-CZ2 3.82Å; I253-W389 HydrophobicContact CG2-CZ2 4.21Å; I253-L415 HydrophobicContact CD1-CD1 4.25Å; I253-L415 HydrophobicContact CD1-CG 4.07Å; I253-L415 WeakPolarHBondContact CD1-O 3.3Å; I253-L415 HydrophobicContact CG1-CD1 4.01Å; I253-L415 HydrophobicContact CG1-CG 4.21Å; I253-G419 PolarHBondContact N-O 3.15Å; I253-G419 VanDerWaalsContact N-O 3.08Å
254	V	97.4	Very high	95.8	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.097	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.7	170.7	-178.4	0	0	0	0	107.1	K252 N256 N257 Y259 V467 V468	K252-V254 HydrophobicContact CG-CG2 3.77Å; V254-N256 PolarHBondContact O-N 2.92Å; V254-N256 VanDerWaalsContact O-N 3.14Å; V254-N257 PolarHBondContact N-O 3.2Å; V254-N257 WeakPolarHBondContact O-CA 3.45Å; V254-N257 PolarHBondContact O-N 3.02Å; V254-Y259 HydrophobicContact CB-CD2 4.05Å; V254-Y259 HydrophobicContact CB-CE2 3.78Å; V254-Y259 HydrophobicContact CG1-CE2 4.42Å; V254-Y259 HydrophobicContact CG2-CD2 3.66Å; V254-Y259 HydrophobicContact CG2-CE2 3.77Å; V254-V467 HydrophobicContact CG2-CG1 4.47Å; V254-V467 WeakPolarHBondContact CG2-O 3.26Å; V254-V468 WeakPolarHBondContact CG1-O 3.21Å
255	D	92.8	Very high	96.4	Very high	150 Å²	150	23.5 Å²	23.5	80%	0.802	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	-117	-172	-55	-34.6	0	0	0	111.6
256	N	90.7	Very high	97.1	Very high	159 Å²	159	22.3 Å²	22.3	85%	0.85	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	10.6	178.1	-68.1	-30	0	0	0	113.6	V254	V254-N256 PolarHBondContact O-N 2.92Å; V254-N256 VanDerWaalsContact O-N 3.14Å
257	N	95.3	Very high	97.4	Very high	37 Å²	37	22 Å²	22	20%	0.198	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	163.3	-179.1	-153.7	-4	0	0	0	111.4	V254 D534 L535	V254-N257 PolarHBondContact N-O 3.2Å; V254-N257 WeakPolarHBondContact O-CA 3.45Å; V254-N257 PolarHBondContact O-N 3.02Å; N257-D534 WeakPolarHBondContact ND2-CB 3.48Å; N257-D534 PolarHBondContact ND2-OD2 3.18Å; N257-L535 WeakPolarHBondContact OD1-CG 3.46Å; N257-L535 PolarHBondContact OD1-N 3.45Å
258	V	97.8	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.4	173.8	-175.6	0	0	0	0	108.7	I251 K252 I253 L260 F384 W389 D534 L535	I251-V258 HydrophobicContact CG2-CG1 3.58Å; K252-V258 CarbonylContact O-C 3.31Å; K252-V258 WeakPolarHBondContact O-CA 3.36Å; I253-V258 HydrophobicContact CG1-CG2 4.46Å; V258-L260 HydrophobicContact CG1-CD1 4.13Å; V258-L260 HydrophobicContact CG1-CG 4.34Å; V258-F384 HydrophobicContact CB-CZ 3.97Å; V258-F384 HydrophobicContact CG1-CE2 3.97Å; V258-F384 HydrophobicContact CG1-CZ 3.88Å; V258-F384 HydrophobicContact CG2-CE2 4.46Å; V258-F384 HydrophobicContact CG2-CZ 3.94Å; V258-W389 HydrophobicContact CG2-CD2 3.81Å; V258-W389 HydrophobicContact CG2-CG 4.1Å; V258-W389 HydrophobicContact CG2-CZ2 3.77Å; V258-W389 VanDerWaalsContact CG2-NE1 3.26Å; V258-D534 VanDerWaalsContact O-CA 3.32Å; V258-D534 WeakPolarHBondContact O-CA 3.11Å; V258-L535 HydrophobicContact CB-CD2 4.28Å; V258-L535 HydrophobicContact CB-CG 4.32Å
259	Y	98.6	Very high	97.2	Very high	23 Å²	23	22 Å²	22	9%	0.09	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.5	171.2	-66.8	-84.9	0	0	0	109.6	I251 K252 V254 F470 I532 V533 D534	I251-Y259 CarbonylContact C-O 3.54Å; I251-Y259 VanDerWaalsContact CA-O 3.28Å; I251-Y259 WeakPolarHBondContact CA-O 3.17Å; K252-Y259 PolarHBondContact N-O 2.64Å; K252-Y259 PolarHBondContact O-N 2.68Å; V254-Y259 HydrophobicContact CB-CD2 4.05Å; V254-Y259 HydrophobicContact CB-CE2 3.78Å; V254-Y259 HydrophobicContact CG1-CE2 4.42Å; V254-Y259 HydrophobicContact CG2-CD2 3.66Å; V254-Y259 HydrophobicContact CG2-CE2 3.77Å; Y259-F470 AromaticContact CD1-CD1 3.93Å; Y259-F470 HydrophobicContact CD1-CD1 3.93Å; Y259-F470 AromaticContact CD1-CE1 3.86Å; Y259-F470 HydrophobicContact CD1-CE1 3.86Å; Y259-F470 HydrophobicContact CD1-CG 4.39Å; Y259-F470 HydrophobicContact CD1-CZ 4.26Å; Y259-F470 AromaticContact CE1-CD1 3.77Å; Y259-F470 HydrophobicContact CE1-CD1 3.77Å; Y259-F470 AromaticContact CE1-CD2 3.81Å; Y259-F470 HydrophobicContact CE1-CD2 3.81Å; Y259-F470 AromaticContact CE1-CE1 3.81Å; Y259-F470 HydrophobicContact CE1-CE1 3.81Å; Y259-F470 AromaticContact CE1-CE2 3.85Å; Y259-F470 HydrophobicContact CE1-CE2 3.85Å; Y259-F470 AromaticContact CE1-CG 3.79Å; Y259-F470 HydrophobicContact CE1-CG 3.79Å; Y259-F470 AromaticContact CE1-CZ 3.86Å; Y259-F470 HydrophobicContact CE1-CZ 3.86Å; Y259-I532 HydrophobicContact CD1-CG2 4.41Å; Y259-V533 CarbonylContact C-O 3.57Å; Y259-V533 VanDerWaalsContact CA-O 3.31Å; Y259-V533 WeakPolarHBondContact CA-O 3.34Å; Y259-D534 HydrophobicContact CD1-CB 4.16Å; Y259-D534 HydrophobicContact CE1-CB 4.11Å
260	L	98.8	Very high	97.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.3	174.2	-57.7	98.7	0	0	0	108.8	I251 V258 T321 F384 I532 V533	I251-L260 HydrophobicContact CD1-CD2 4Å; I251-L260 HydrophobicContact CG1-CD2 3.95Å; I251-L260 HydrophobicContact CG1-CG 4.23Å; I251-L260 HydrophobicContact CG2-CD2 4.21Å; I251-L260 HydrophobicContact CG2-CG 4.17Å; V258-L260 HydrophobicContact CG1-CD1 4.13Å; V258-L260 HydrophobicContact CG1-CG 4.34Å; L260-T321 HydrophobicContact CB-CG2 4.07Å; L260-T321 HydrophobicContact CD2-CG2 3.83Å; L260-T321 HydrophobicContact CG-CG2 4.37Å; L260-F384 HydrophobicContact CD1-CD1 4.1Å; L260-F384 HydrophobicContact CD1-CE1 4.33Å; L260-F384 HydrophobicContact CD2-CB 3.35Å; L260-F384 HydrophobicContact CD2-CD1 3.84Å; L260-F384 HydrophobicContact CD2-CD2 4.12Å; L260-F384 HydrophobicContact CD2-CG 3.51Å; L260-I532 CarbonylContact O-C 3.6Å; L260-I532 VanDerWaalsContact O-CA 3.31Å; L260-I532 WeakPolarHBondContact O-CA 3.23Å; L260-V533 HydrophobicContact CB-CG2 3.88Å; L260-V533 HydrophobicContact CD1-CG2 4.02Å; L260-V533 PolarHBondContact N-O 3.31Å; L260-V533 PolarHBondContact O-N 2.96Å
261	S	98.9	Very high	97	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.8	-175	64.7	0	0	0	0	113.3	A249 L250 M473 M477 K531	A249-S261 WeakPolarHBondContact CA-O 3.26Å; L250-S261 PolarHBondContact N-O 3.45Å; L250-S261 VanDerWaalsContact N-O 3.08Å; L250-S261 PolarHBondContact O-N 2.93Å; L250-S261 PolarHBondContact O-OG 3.29Å; S261-M473 WeakPolarHBondContact OG-CE 3.32Å; S261-M477 WeakPolarHBondContact OG-CE 3.17Å; S261-M477 WeakPolarHBondContact OG-CG 3.15Å; S261-M477 PolarHBondContact OG-SD 3.38Å; S261-M477 VanDerWaalsContact OG-SD 3.37Å; S261-K531 CarbonylContact C-O 3.48Å; S261-K531 WeakPolarHBondContact CA-O 3.47Å; S261-K531 WeakPolarHBondContact CB-O 3.38Å
262	H	98.9	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	137	-177.7	-179.5	-107	0	0	0	111.3	C247 T264 D311 F313 T323 E324 A530 K531	C247-H262 WeakPolarHBondContact CB-NE2 3.38Å; C247-H262 PolarHBondContact SG-NE2 3.4Å; C247-H262 VanDerWaalsContact SG-NE2 3.42Å; H262-T264 PolarHBondContact CE1-OG1 3.26Å; H262-D311 PolarHBondContact CE1-O 3.43Å; H262-F313 HydrophobicContact CB-CB 4.4Å; H262-F313 HydrophobicContact CB-CD2 3.48Å; H262-F313 VanDerWaalsContact CB-CD2 3.48Å; H262-F313 HydrophobicContact CB-CE2 4.1Å; H262-F313 HydrophobicContact CB-CG 4.29Å; H262-T323 WeakPolarHBondContact CB-OG1 3.48Å; H262-T323 PolarHBondContact CD2-OG1 3.48Å; H262-T323 VanDerWaalsContact CD2-OG1 3.3Å; H262-T323 VanDerWaalsContact CG-OG1 3.24Å; H262-E324 PolarHBondContact CD2-O 2.8Å; H262-E324 PolarHBondContact NE2-O 3.02Å; H262-A530 CarbonylContact O-C 3.34Å; H262-A530 WeakPolarHBondContact O-CA 3.26Å; H262-K531 PolarHBondContact N-O 3.19Å; H262-K531 WeakPolarHBondContact ND1-CE 3.12Å; H262-K531 PolarHBondContact ND1-NZ 3.09Å; H262-K531 VanDerWaalsContact ND1-NZ 3.11Å; H262-K531 PolarHBondContact O-N 2.94Å
263	V	98.8	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	111.3	173.9	178.3	0	0	0	0	107.8	C247 S248 M477 D529 A530	C247-V263 VanDerWaalsContact CA-O 3.29Å; C247-V263 WeakPolarHBondContact CA-O 3.4Å; S248-V263 PolarHBondContact N-O 2.99Å; S248-V263 PolarHBondContact O-N 2.83Å; V263-M477 HydrophobicContact CG2-CB 3.76Å; V263-M477 HydrophobicContact CG2-CE 3.74Å; V263-M477 WeakPolarHBondContact CG2-O 3.25Å; V263-D529 VanDerWaalsContact CG1-O 3.32Å; V263-D529 WeakPolarHBondContact CG1-O 3.36Å; V263-A530 HydrophobicContact CG2-CB 3.89Å
264	T	98.7	Very high	96.9	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.5	171.8	-54.6	0	0	0	0	108.7	H262 D311 G527 T528 D529 K531	H262-T264 PolarHBondContact CE1-OG1 3.26Å; T264-D311 HydrophobicContact CG2-CB 4.47Å; T264-D311 WeakPolarHBondContact OG1-CA 3.34Å; T264-D311 WeakPolarHBondContact OG1-CB 3.39Å; T264-D311 PolarHBondContact OG1-OD1 3.34Å; T264-D311 PolarHBondContact OG1-OD2 3.42Å; T264-G527 CarbonylContact O-C 3.56Å; T264-G527 VanDerWaalsContact O-CA 3.28Å; T264-G527 WeakPolarHBondContact O-CA 3.46Å; T264-T528 PolarHBondContact O-N 3.18Å; T264-T528 PolarHBondContact O-OG1 3.02Å; T264-D529 WeakPolarHBondContact CB-OD2 3.38Å; T264-D529 PolarHBondContact N-OD1 3.34Å; T264-D529 PolarHBondContact OG1-OD1 3.43Å; T264-D529 PolarHBondContact OG1-OD2 3.44Å; T264-K531 PolarHBondContact OG1-NZ 2.71Å
265	W	98	Very high	97	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.1	162	-53.8	9	0	0	0	109.8	S246 N499 A501 I502 A504 G526	S246-W265 PolarHBondContact N-O 3.09Å; S246-W265 VanDerWaalsContact N-O 3.17Å; S246-W265 CarbonylContact O-C 3.6Å; S246-W265 WeakPolarHBondContact O-CA 3.23Å; S246-W265 WeakPolarHBondContact O-CB 3.45Å; S246-W265 PolarHBondContact O-N 2.91Å; W265-N499 VanDerWaalsContact CH2-O 3.24Å; W265-N499 WeakPolarHBondContact CH2-O 3.09Å; W265-A501 WeakPolarHBondContact CH2-O 3.46Å; W265-A501 VanDerWaalsContact CZ2-O 3.24Å; W265-A501 WeakPolarHBondContact CZ2-O 3.36Å; W265-I502 VanDerWaalsContact CE2-O 3.32Å; W265-I502 WeakPolarHBondContact CZ2-O 3.39Å; W265-I502 PolarHBondContact NE1-O 3.49Å; W265-A504 HydrophobicContact CD2-CB 3.81Å; W265-A504 HydrophobicContact CE3-CB 3.55Å; W265-A504 HydrophobicContact CH2-CB 3.42Å; W265-A504 VanDerWaalsContact CH2-CB 3.42Å; W265-A504 HydrophobicContact CZ2-CB 3.66Å; W265-A504 VanDerWaalsContact CZ2-N 3.31Å; W265-A504 HydrophobicContact CZ3-CB 3.36Å; W265-G526 CarbonylContact C-O 3.59Å; W265-G526 WeakPolarHBondContact CA-O 3.38Å; W265-G526 WeakPolarHBondContact CB-O 3.38Å
266	S	96.3	Very high	97.2	Very high	4 Å²	4	11.7 Å²	11.7	3%	0.028	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	177.4	177.9	-163.7	0	0	0	0	111.2	I270 H525 G526	S266-I270 WeakPolarHBondContact OG-CD1 3.4Å; S266-H525 WeakPolarHBondContact CA-NE2 3.35Å; S266-H525 WeakPolarHBondContact O-CA 3.14Å; S266-H525 PolarHBondContact O-CD2 3.19Å; S266-G526 PolarHBondContact N-O 2.91Å; S266-G526 PolarHBondContact O-N 3.24Å
267	T	95.5	Very high	97.5	Very high	11 Å²	11	4.7 Å²	4.7	7%	0.067	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	134.7	172.5	47.2	0	0	0	0	110.2	P240 S269 I270 L524 H525	P240-T267 HydrophobicContact CG-CG2 3.83Å; T267-S269 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact OG1-OG 3.5Å; T267-I270 WeakPolarHBondContact O-CG1 3.48Å; T267-I270 PolarHBondContact O-N 3.38Å; T267-L524 WeakPolarHBondContact CA-O 3.47Å; T267-H525 PolarHBondContact N-CD2 2.98Å
268	Y	96.4	Very high	97.6	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-62.9	-15.4	-176.6	-69.7	-10.8	0	0	0	114.4	I270 M271 E507 L524 H525 T528 P549 F557 H571	Y268-I270 PolarHBondContact O-N 3.37Å; Y268-M271 HydrophobicContact CD1-CE 4.31Å; Y268-M271 HydrophobicContact CD1-SD 4.17Å; Y268-M271 HydrophobicContact CG-CE 4.11Å; Y268-M271 WeakPolarHBondContact O-CE 3.45Å; Y268-M271 WeakPolarHBondContact O-CG 3.43Å; Y268-E507 HydrophobicContact CE2-CB 4.12Å; Y268-E507 VanDerWaalsContact CE2-CD 3.47Å; Y268-E507 HydrophobicContact CE2-CG 3.92Å; Y268-E507 VanDerWaalsContact CE2-OE2 3.31Å; Y268-E507 WeakPolarHBondContact CE2-OE2 3.26Å; Y268-E507 PolarHBondContact OH-OE2 3.31Å; Y268-L524 HydrophobicContact CD2-CB 4.22Å; Y268-L524 HydrophobicContact CD2-CD2 4.44Å; Y268-L524 PolarHBondContact N-O 2.9Å; Y268-H525 VanDerWaalsContact CE1-C 3.48Å; Y268-H525 PolarHBondContact OH-O 3.21Å; Y268-T528 HydrophobicContact CD1-CG2 3.8Å; Y268-T528 HydrophobicContact CE1-CG2 4.05Å; Y268-P549 HydrophobicContact CD1-CG 4.35Å; Y268-P549 HydrophobicContact CE1-CB 4.48Å; Y268-P549 HydrophobicContact CE1-CG 3.77Å; Y268-P549 HydrophobicContact CE2-CG 4.2Å; Y268-F557 HydrophobicContact CD2-CD2 4.06Å; Y268-F557 HydrophobicContact CD2-CE1 4.22Å; Y268-F557 AromaticContact CD2-CE2 3.6Å; Y268-F557 HydrophobicContact CD2-CE2 3.6Å; Y268-F557 AromaticContact CD2-CZ 3.71Å; Y268-F557 HydrophobicContact CD2-CZ 3.71Å; Y268-F557 AromaticContact CE2-CD2 3.85Å; Y268-F557 HydrophobicContact CE2-CD2 3.85Å; Y268-F557 AromaticContact CE2-CE2 3.81Å; Y268-F557 HydrophobicContact CE2-CE2 3.81Å; Y268-F557 HydrophobicContact CE2-CG 4.39Å; Y268-F557 HydrophobicContact CE2-CZ 4.34Å; Y268-H571 PolarHBondContact O-CE1 2.96Å
269	S	95.5	Very high	97.5	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.014	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-66	-19.6	175.8	54.2	0	0	0	0	114.8	H239 T267	H239-S269 VanDerWaalsContact CG-CB 3.5Å; T267-S269 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact OG1-OG 3.5Å
270	I	95.6	Very high	97.3	Very high	3 Å²	3	2.5 Å²	2.5	2%	0.015	1%	0.013	C	C	.	.	G	3₁₀ helix	trans	-93.4	3	-177.3	73.5	166.9	0	0	0	113.6	T125 S266 T267 Y268 L272 Y303	T125-I270 HydrophobicContact CG2-CG2 3.72Å; S266-I270 WeakPolarHBondContact OG-CD1 3.4Å; T267-I270 WeakPolarHBondContact O-CG1 3.48Å; T267-I270 PolarHBondContact O-N 3.38Å; Y268-I270 PolarHBondContact O-N 3.37Å; I270-L272 PolarHBondContact O-N 3.47Å; I270-Y303 HydrophobicContact CB-CD1 4.46Å; I270-Y303 HydrophobicContact CB-CE1 4.06Å; I270-Y303 HydrophobicContact CD1-CE1 3.62Å; I270-Y303 HydrophobicContact CD1-CE2 4.37Å; I270-Y303 VanDerWaalsContact CD1-OH 3.26Å; I270-Y303 WeakPolarHBondContact CD1-OH 3.4Å; I270-Y303 HydrophobicContact CG1-CE1 3.72Å; I270-Y303 WeakPolarHBondContact O-CD1 3.38Å; I270-Y303 WeakPolarHBondContact O-CE1 3.42Å
271	M	97.3	Very high	97.1	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.018	C	C	.	.			trans	-70.8	16.6	-169.6	-62.8	-168.2	-63.4	0	0	116	Y268 R273 T528 P549 F557 W575	Y268-M271 HydrophobicContact CD1-CE 4.31Å; Y268-M271 HydrophobicContact CD1-SD 4.17Å; Y268-M271 HydrophobicContact CG-CE 4.11Å; Y268-M271 WeakPolarHBondContact O-CE 3.45Å; Y268-M271 WeakPolarHBondContact O-CG 3.43Å; M271-R273 WeakPolarHBondContact O-CG 3.34Å; M271-R273 PolarHBondContact O-N 3.21Å; M271-R273 VanDerWaalsContact O-N 3.16Å; M271-T528 HydrophobicContact CG-CG2 3.88Å; M271-T528 HydrophobicContact SD-CG2 3.78Å; M271-P549 HydrophobicContact SD-CG 4.32Å; M271-F557 HydrophobicContact CE-CD1 4.31Å; M271-F557 HydrophobicContact CE-CE1 4.12Å; M271-W575 HydrophobicContact CB-CH2 3.41Å; M271-W575 VanDerWaalsContact CB-CH2 3.41Å; M271-W575 HydrophobicContact CB-CZ2 3.81Å; M271-W575 HydrophobicContact CB-CZ3 3.85Å; M271-W575 HydrophobicContact CE-CD2 3.74Å; M271-W575 HydrophobicContact CE-CE3 4.16Å; M271-W575 HydrophobicContact CE-CG 4.26Å; M271-W575 HydrophobicContact CE-CH2 4.28Å; M271-W575 HydrophobicContact CE-CZ2 3.81Å; M271-W575 HydrophobicContact CE-CZ3 4.42Å; M271-W575 WeakPolarHBondContact O-CH2 3.06Å; M271-W575 HydrophobicContact SD-CD2 4.35Å; M271-W575 HydrophobicContact SD-CE3 4.18Å; M271-W575 HydrophobicContact SD-CZ3 4.28Å
272	L	97.9	Very high	96.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.			trans	-74.6	103.4	161.3	-65.7	178.4	0	0	0	108.5	I81 L117 Q121 I270 Y303 P304 M570 H571	I81-L272 HydrophobicContact CD1-CD2 4Å; I81-L272 HydrophobicContact CG2-CD2 4.47Å; L117-L272 HydrophobicContact CD2-CB 3.9Å; L117-L272 HydrophobicContact CD2-CD1 4.06Å; L117-L272 HydrophobicContact CD2-CD2 3.98Å; L117-L272 HydrophobicContact CD2-CG 4.19Å; Q121-L272 HydrophobicContact CB-CD1 4.22Å; I270-L272 PolarHBondContact O-N 3.47Å; L272-Y303 WeakPolarHBondContact O-CD1 3.47Å; L272-P304 HydrophobicContact CB-CG 4.17Å; L272-P304 WeakPolarHBondContact O-CD 3.38Å; L272-M570 HydrophobicContact CD1-CB 4.37Å; L272-M570 HydrophobicContact CD2-CB 3.82Å; L272-H571 VanDerWaalsContact CD2-CD2 3.46Å; L272-H571 WeakPolarHBondContact CD2-CD2 3.36Å; L272-H571 PolarHBondContact N-NE2 2.69Å
273	R	98.3	Very high	96.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.			trans	-107.8	142.9	-169.7	-50.8	-53	-66.1	-76.1	1.9	113	W86 S87 M271 D311 D529	W86-R273 HydrophobicContact CD2-CB 3.99Å; W86-R273 HydrophobicContact CE3-CB 3.19Å; W86-R273 HydrophobicContact CE3-CG 4.11Å; W86-R273 HydrophobicContact CH2-CB 4.18Å; W86-R273 HydrophobicContact CH2-CG 4.32Å; W86-R273 HydrophobicContact CZ3-CB 3.34Å; W86-R273 HydrophobicContact CZ3-CG 3.94Å; S87-R273 PolarHBondContact N-O 3.43Å; M271-R273 WeakPolarHBondContact O-CG 3.34Å; M271-R273 PolarHBondContact O-N 3.21Å; M271-R273 VanDerWaalsContact O-N 3.16Å; R273-D311 IonicContact CZ-OD1 3.96Å; R273-D311 IonicContact NH2-OD1 2.87Å; R273-D311 PolarHBondContact NH2-OD1 2.98Å; R273-D311 IonicContact NH2-OD2 2.79Å; R273-D311 PolarHBondContact NH2-OD2 3.2Å; R273-D529 IonicContact CZ-OD2 2.75Å; R273-D529 IonicContact NH1-OD2 3.88Å; R273-D529 PolarHBondContact NH1-OD2 2.75Å; R273-D529 IonicContact NH2-OD2 3.1Å; R273-D529 PolarHBondContact NH2-OD2 3.26Å
274	V	98.1	Very high	96.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120.7	176.1	-170.8	0	0	0	0	109	S87 L89 K276 S302 P304	S87-V274 CarbonylContact O-C 3.56Å; S87-V274 WeakPolarHBondContact O-CA 3.18Å; L89-V274 HydrophobicContact CB-CG1 3.64Å; V274-K276 HydrophobicContact CB-CG 4.32Å; V274-K276 HydrophobicContact CG1-CG 3.83Å; V274-S302 PolarHBondContact N-O 3.36Å; V274-S302 CarbonylContact O-C 3.58Å; V274-S302 VanDerWaalsContact O-C 3.31Å; V274-S302 WeakPolarHBondContact O-CA 3.35Å; V274-S302 WeakPolarHBondContact O-CB 3.47Å; V274-S302 PolarHBondContact O-N 2.81Å; V274-P304 HydrophobicContact CG2-CB 4.5Å; V274-P304 HydrophobicContact CG2-CG 3.9Å
275	L	97.9	Very high	96.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120	166.7	-71.4	158.1	0	0	0	107.8	W86 S87 S88 L89 M543 A545 V580 T582 F584 F598	W86-L275 HydrophobicContact CB-CD1 4.05Å; W86-L275 HydrophobicContact CD2-CD1 3.69Å; W86-L275 HydrophobicContact CD2-CG 3.91Å; W86-L275 HydrophobicContact CE3-CD1 3.89Å; W86-L275 HydrophobicContact CE3-CD2 4.15Å; W86-L275 HydrophobicContact CE3-CG 3.54Å; W86-L275 HydrophobicContact CG-CD1 3.75Å; W86-L275 HydrophobicContact CG-CG 4.39Å; W86-L275 HydrophobicContact CZ3-CD2 4.09Å; W86-L275 HydrophobicContact CZ3-CG 3.98Å; S87-L275 PolarHBondContact O-N 2.57Å; S88-L275 CarbonylContact C-O 3.56Å; S88-L275 WeakPolarHBondContact CA-O 3.45Å; L89-L275 PolarHBondContact N-O 3.01Å; L275-M543 HydrophobicContact CD2-CG 4.38Å; L275-M543 HydrophobicContact CD2-SD 3.61Å; L275-A545 HydrophobicContact CD1-CB 3.97Å; L275-A545 HydrophobicContact CD2-CB 4.1Å; L275-V580 HydrophobicContact CD1-CG2 4.02Å; L275-T582 HydrophobicContact CB-CG2 4.14Å; L275-T582 HydrophobicContact CD1-CG2 3.86Å; L275-T582 HydrophobicContact CD2-CG2 4.29Å; L275-T582 HydrophobicContact CG-CG2 4.31Å; L275-F584 HydrophobicContact CB-CZ 4.1Å; L275-F598 HydrophobicContact CD1-CE1 3.58Å; L275-F598 HydrophobicContact CD1-CZ 4Å
276	K	97.4	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.3	-171.4	-63.1	-172.7	-174.6	179	0	111.5	L89 E110 V274 Y278 T299 F300 S302 Y303 L306	L89-K276 HydrophobicContact CB-CG 4.36Å; L89-K276 HydrophobicContact CD2-CD 4.32Å; L89-K276 HydrophobicContact CD2-CG 4.34Å; L89-K276 CarbonylContact O-C 3.56Å; L89-K276 VanDerWaalsContact O-CA 3.28Å; L89-K276 WeakPolarHBondContact O-CA 3.45Å; E110-K276 WeakPolarHBondContact OE1-CE 3.49Å; E110-K276 IonicContact OE1-NZ 3.14Å; E110-K276 PolarHBondContact OE1-NZ 3.17Å; V274-K276 HydrophobicContact CB-CG 4.32Å; V274-K276 HydrophobicContact CG1-CG 3.83Å; K276-Y278 HydrophobicContact CD-CE1 4.34Å; K276-T299 CarbonylContact O-C 3.51Å; K276-T299 VanDerWaalsContact O-CA 3.24Å; K276-T299 WeakPolarHBondContact O-CA 3.42Å; K276-F300 HydrophobicContact CB-CD1 4.1Å; K276-F300 HydrophobicContact CB-CD2 4.48Å; K276-F300 HydrophobicContact CB-CE1 3.67Å; K276-F300 HydrophobicContact CB-CE2 4.11Å; K276-F300 HydrophobicContact CB-CG 4.49Å; K276-F300 HydrophobicContact CB-CZ 3.68Å; K276-F300 HydrophobicContact CD-CE2 3.86Å; K276-F300 HydrophobicContact CD-CZ 3.69Å; K276-F300 HydrophobicContact CG-CE2 4.43Å; K276-F300 HydrophobicContact CG-CZ 4.27Å; K276-F300 PolarHBondContact N-O 2.57Å; K276-F300 PolarHBondContact O-N 2.96Å; K276-S302 WeakPolarHBondContact CE-OG 3.38Å; K276-S302 PolarHBondContact NZ-OG 2.82Å; K276-Y303 WeakPolarHBondContact CE-O 3.43Å; K276-Y303 PolarHBondContact NZ-O 3.24Å; K276-L306 PolarHBondContact NZ-O 2.9Å
277	H	96.9	Very high	95.6	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.056	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.5	163.6	-173.8	82.3	0	0	0	109	L89 T90 V91 I298 T299 F584	L89-H277 PolarHBondContact O-N 2.67Å; T90-H277 CarbonylContact C-O 3.56Å; T90-H277 VanDerWaalsContact CA-O 3.29Å; T90-H277 WeakPolarHBondContact CA-O 3.37Å; T90-H277 HydrophobicContact CG2-CB 3.91Å; T90-H277 WeakPolarHBondContact CG2-O 3.46Å; V91-H277 PolarHBondContact N-O 2.83Å; H277-I298 CarbonylContact C-O 3.55Å; H277-I298 WeakPolarHBondContact CA-O 3.05Å; H277-T299 PolarHBondContact ND1-OG1 2.99Å; H277-F584 HydrophobicContact CB-CB 3.83Å; H277-F584 HydrophobicContact CB-CD1 3.69Å; H277-F584 HydrophobicContact CB-CD2 3.75Å; H277-F584 HydrophobicContact CB-CE1 4.12Å; H277-F584 HydrophobicContact CB-CE2 4.17Å; H277-F584 HydrophobicContact CB-CG 3.48Å; H277-F584 VanDerWaalsContact CB-CG 3.48Å; H277-F584 HydrophobicContact CB-CZ 4.35Å; H277-F584 AromaticContact CG-CG 3.95Å
278	Y	97.1	Very high	94.8	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.4	170.6	-68	-21.4	0	0	0	109.2	V91 E110 K276 F280 A297 I298 F300	V91-Y278 HydrophobicContact CB-CD1 3.94Å; V91-Y278 HydrophobicContact CB-CE1 4.22Å; V91-Y278 HydrophobicContact CG2-CD1 4.07Å; V91-Y278 HydrophobicContact CG2-CE1 3.89Å; V91-Y278 CarbonylContact O-C 3.37Å; V91-Y278 WeakPolarHBondContact O-CA 3.32Å; E110-Y278 VanDerWaalsContact CD-OH 3.32Å; E110-Y278 PolarHBondContact OE1-OH 3.05Å; E110-Y278 WeakPolarHBondContact OE2-CE1 3.34Å; E110-Y278 PolarHBondContact OE2-OH 2.83Å; K276-Y278 HydrophobicContact CD-CE1 4.34Å; Y278-F280 HydrophobicContact CD1-CE1 4.39Å; Y278-F280 HydrophobicContact CD1-CE2 4.05Å; Y278-F280 AromaticContact CD1-CZ 3.58Å; Y278-F280 HydrophobicContact CD1-CZ 3.58Å; Y278-F280 HydrophobicContact CD2-CD2 4.37Å; Y278-F280 AromaticContact CD2-CE2 3.52Å; Y278-F280 HydrophobicContact CD2-CE2 3.52Å; Y278-F280 AromaticContact CD2-CZ 3.95Å; Y278-F280 HydrophobicContact CD2-CZ 3.95Å; Y278-F280 HydrophobicContact CE1-CZ 4.16Å; Y278-F280 HydrophobicContact CE2-CE2 4.14Å; Y278-F280 HydrophobicContact CE2-CZ 4.48Å; Y278-F280 HydrophobicContact CG-CD2 4.31Å; Y278-F280 HydrophobicContact CG-CE1 4.34Å; Y278-F280 AromaticContact CG-CE2 3.46Å; Y278-F280 HydrophobicContact CG-CE2 3.46Å; Y278-F280 VanDerWaalsContact CG-CE2 3.46Å; Y278-F280 AromaticContact CG-CZ 3.46Å; Y278-F280 HydrophobicContact CG-CZ 3.46Å; Y278-F280 VanDerWaalsContact CG-CZ 3.46Å; Y278-A297 CarbonylContact O-C 3.54Å; Y278-A297 WeakPolarHBondContact O-CA 3.41Å; Y278-I298 PolarHBondContact N-O 3.33Å; Y278-I298 PolarHBondContact O-N 2.97Å; Y278-F300 AromaticContact CD2-CE1 3.61Å; Y278-F300 HydrophobicContact CD2-CE1 3.61Å; Y278-F300 AromaticContact CD2-CZ 3.87Å; Y278-F300 HydrophobicContact CD2-CZ 3.87Å; Y278-F300 HydrophobicContact CE1-CZ 4.48Å; Y278-F300 AromaticContact CE2-CE1 3.67Å; Y278-F300 HydrophobicContact CE2-CE1 3.67Å; Y278-F300 AromaticContact CE2-CZ 3.4Å; Y278-F300 HydrophobicContact CE2-CZ 3.4Å; Y278-F300 VanDerWaalsContact CE2-CZ 3.4Å; Y278-F300 HydrophobicContact CG-CE1 4.09Å; Y278-F300 AromaticContact CZ-CZ 3.75Å
279	N	95.6	Very high	94.3	Very high	4 Å²	4	27 Å²	27	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	92.6	168.1	-173.6	-8.3	0	0	0	109.6	V91 A92 T93 F296 D586	V91-N279 PolarHBondContact O-N 3.43Å; A92-N279 VanDerWaalsContact CA-O 3.26Å; A92-N279 WeakPolarHBondContact CA-O 3.35Å; A92-N279 HydrophobicContact CB-CB 4.12Å; T93-N279 PolarHBondContact N-O 3.24Å; N279-F296 CarbonylContact C-O 3.53Å; N279-F296 WeakPolarHBondContact CA-O 3.45Å; N279-F296 WeakPolarHBondContact OD1-CD2 3.38Å; N279-D586 VanDerWaalsContact ND2-CG 3.29Å; N279-D586 PolarHBondContact ND2-OD1 3.07Å; N279-D586 PolarHBondContact ND2-OD2 2.91Å
280	F	96	Very high	94.1	Very high	6 Å²	6	28 Å²	28	3%	0.026	16%	0.162	C	C	.	.			trans	-117.2	100.1	-174.3	-61.6	-21.4	0	0	0	109.4	V91 T93 A106 Y278 W282 F296	V91-F280 HydrophobicContact CB-CE1 4Å; V91-F280 HydrophobicContact CB-CZ 4.14Å; V91-F280 HydrophobicContact CG1-CE1 3.84Å; V91-F280 HydrophobicContact CG1-CZ 4.16Å; T93-F280 HydrophobicContact CG2-CD1 3.73Å; T93-F280 HydrophobicContact CG2-CE1 3.96Å; A106-F280 HydrophobicContact CB-CE1 3.7Å; A106-F280 HydrophobicContact CB-CZ 3.71Å; Y278-F280 HydrophobicContact CD1-CE1 4.39Å; Y278-F280 HydrophobicContact CD1-CE2 4.05Å; Y278-F280 AromaticContact CD1-CZ 3.58Å; Y278-F280 HydrophobicContact CD1-CZ 3.58Å; Y278-F280 HydrophobicContact CD2-CD2 4.37Å; Y278-F280 AromaticContact CD2-CE2 3.52Å; Y278-F280 HydrophobicContact CD2-CE2 3.52Å; Y278-F280 AromaticContact CD2-CZ 3.95Å; Y278-F280 HydrophobicContact CD2-CZ 3.95Å; Y278-F280 HydrophobicContact CE1-CZ 4.16Å; Y278-F280 HydrophobicContact CE2-CE2 4.14Å; Y278-F280 HydrophobicContact CE2-CZ 4.48Å; Y278-F280 HydrophobicContact CG-CD2 4.31Å; Y278-F280 HydrophobicContact CG-CE1 4.34Å; Y278-F280 AromaticContact CG-CE2 3.46Å; Y278-F280 HydrophobicContact CG-CE2 3.46Å; Y278-F280 VanDerWaalsContact CG-CE2 3.46Å; Y278-F280 AromaticContact CG-CZ 3.46Å; Y278-F280 HydrophobicContact CG-CZ 3.46Å; Y278-F280 VanDerWaalsContact CG-CZ 3.46Å; F280-W282 HydrophobicContact CB-CD2 3.85Å; F280-W282 HydrophobicContact CB-CG 4.04Å; F280-W282 HydrophobicContact CB-CZ2 4Å; F280-W282 HydrophobicContact CD1-CZ2 4.45Å; F280-W282 AromaticContact CD2-CE2 3.91Å; F280-W282 AromaticContact CD2-CH2 3.64Å; F280-W282 HydrophobicContact CD2-CH2 3.64Å; F280-W282 AromaticContact CD2-CZ2 3.39Å; F280-W282 HydrophobicContact CD2-CZ2 3.39Å; F280-W282 HydrophobicContact CD2-CZ3 4.31Å; F280-W282 HydrophobicContact CE2-CH2 4.1Å; F280-W282 AromaticContact CE2-CZ2 3.96Å; F280-W282 HydrophobicContact CE2-CZ2 3.96Å; F280-W282 HydrophobicContact CG-CD2 4.47Å; F280-W282 AromaticContact CG-CE2 3.8Å; F280-W282 HydrophobicContact CG-CH2 4.37Å; F280-W282 AromaticContact CG-CZ2 3.7Å; F280-W282 HydrophobicContact CG-CZ2 3.7Å; F280-W282 PolarHBondContact O-N 3.45Å; F280-F296 PolarHBondContact N-O 3.43Å; F280-F296 WeakPolarHBondContact O-CA 3.19Å; F280-F296 WeakPolarHBondContact O-CB 3.49Å
281	P	93	Very high	94	Very high	15 Å²	15	34.6 Å²	34.6	10%	0.097	19%	0.193	C	C	.	.			trans	-75.3	40.3	179.1	34.2	-38.2	0	0	0	113	T93 K292	T93-P281 WeakPolarHBondContact O-CD 3.2Å; T93-P281 WeakPolarHBondContact O-CG 3.4Å; T93-P281 WeakPolarHBondContact OG1-CD 3.28Å; P281-K292 HydrophobicContact CB-CD 3.74Å; P281-K292 HydrophobicContact CB-CG 4.42Å
282	W	96.5	Very high	93.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.			trans	-64	155.2	178.5	-58.5	-14.1	0	0	0	111.4	D99 A103 L171 F280 K292 I293	D99-W282 HydrophobicContact CB-CG 4.4Å; A103-W282 HydrophobicContact CB-CH2 3.92Å; A103-W282 HydrophobicContact CB-CZ2 3.59Å; L171-W282 HydrophobicContact CB-CD2 4.48Å; L171-W282 HydrophobicContact CB-CE3 3.85Å; L171-W282 HydrophobicContact CB-CH2 4.34Å; L171-W282 HydrophobicContact CB-CZ3 3.72Å; L171-W282 HydrophobicContact CD1-CB 3.89Å; L171-W282 HydrophobicContact CD1-CD2 3.76Å; L171-W282 HydrophobicContact CD1-CE3 3.54Å; L171-W282 HydrophobicContact CD1-CG 3.92Å; L171-W282 HydrophobicContact CD1-CZ3 4.3Å; L171-W282 HydrophobicContact CG-CE3 4.34Å; F280-W282 HydrophobicContact CB-CD2 3.85Å; F280-W282 HydrophobicContact CB-CG 4.04Å; F280-W282 HydrophobicContact CB-CZ2 4Å; F280-W282 HydrophobicContact CD1-CZ2 4.45Å; F280-W282 AromaticContact CD2-CE2 3.91Å; F280-W282 AromaticContact CD2-CH2 3.64Å; F280-W282 HydrophobicContact CD2-CH2 3.64Å; F280-W282 AromaticContact CD2-CZ2 3.39Å; F280-W282 HydrophobicContact CD2-CZ2 3.39Å; F280-W282 HydrophobicContact CD2-CZ3 4.31Å; F280-W282 HydrophobicContact CE2-CH2 4.1Å; F280-W282 AromaticContact CE2-CZ2 3.96Å; F280-W282 HydrophobicContact CE2-CZ2 3.96Å; F280-W282 HydrophobicContact CG-CD2 4.47Å; F280-W282 AromaticContact CG-CE2 3.8Å; F280-W282 HydrophobicContact CG-CH2 4.37Å; F280-W282 AromaticContact CG-CZ2 3.7Å; F280-W282 HydrophobicContact CG-CZ2 3.7Å; F280-W282 PolarHBondContact O-N 3.45Å; W282-K292 CarbonylContact O-C 3.55Å; W282-K292 WeakPolarHBondContact O-CA 3.24Å; W282-I293 HydrophobicContact CB-CD1 4.32Å; W282-I293 WeakPolarHBondContact O-CG1 3.39Å; W282-I293 PolarHBondContact O-N 2.77Å
283	K	96.9	Very high	93.9	Very high	65 Å²	65	39.4 Å²	39.4	28%	0.283	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-85.7	156.8	178.7	-61.7	177.4	-174.7	-176.5	0	110.5	D99 Y167 Q168 V285 N287 Q291	D99-K283 WeakPolarHBondContact OD2-CB 3.26Å; D99-K283 PolarHBondContact OD2-N 3.42Å; Y167-K283 WeakPolarHBondContact CD1-O 3.21Å; Y167-K283 HydrophobicContact CE1-CB 4.24Å; Y167-K283 WeakPolarHBondContact CE1-O 3.25Å; Q168-K283 PolarHBondContact NE2-O 3.12Å; K283-V285 WeakPolarHBondContact CB-O 3.16Å; K283-N287 WeakPolarHBondContact CD-O 3.27Å; K283-Q291 CarbonylContact C-O 3.58Å; K283-Q291 WeakPolarHBondContact CA-O 3.32Å
284	T	96.8	Very high	93.8	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.202	22%	0.222	C	C	.	.	S	Bend	trans	-63.1	-42.6	174.9	-56.2	0	0	0	0	111.9	P164 Y167 Q168 S290 Q291 L358	P164-T284 WeakPolarHBondContact CA-O 3.4Å; P164-T284 HydrophobicContact CB-CG2 3.73Å; P164-T284 HydrophobicContact CG-CG2 3.82Å; Y167-T284 WeakPolarHBondContact CD1-O 3.29Å; Q168-T284 PolarHBondContact NE2-O 3.04Å; T284-S290 PolarHBondContact N-OG 2.63Å; T284-Q291 PolarHBondContact N-O 3.32Å; T284-Q291 PolarHBondContact OG1-O 3.04Å; T284-L358 HydrophobicContact CG2-CD2 4.04Å
285	V	94.7	Very high	93.8	Very high	24 Å²	24	40.8 Å²	40.8	15%	0.145	22%	0.223	C	C	.	.	S	Bend	trans	-138.6	165.3	174.8	-68.2	0	0	0	0	110.9	P164 Y167 K283 N287 S290	P164-V285 HydrophobicContact CB-CG1 4.25Å; P164-V285 HydrophobicContact CG-CG1 3.84Å; Y167-V285 VanDerWaalsContact CD1-C 3.46Å; K283-V285 WeakPolarHBondContact CB-O 3.16Å; V285-N287 HydrophobicContact CG2-CB 4.1Å; V285-N287 PolarHBondContact O-N 3.27Å; V285-S290 PolarHBondContact N-OG 3.14Å; V285-S290 VanDerWaalsContact O-CB 3.24Å; V285-S290 WeakPolarHBondContact O-CB 3.32Å; V285-S290 PolarHBondContact O-OG 2.89Å
286	N	88.5	Confident	93.8	Very high	93 Å²	93	43.2 Å²	43.2	50%	0.497	23%	0.234	S	C	.	.	S	Bend	trans	-71.7	68.1	176.9	-163.1	20.6	0	0	0	113	G160 E161 Y167	G160-N286 PolarHBondContact O-N 3.08Å; E161-N286 HydrophobicContact CG-CB 4.46Å; Y167-N286 HydrophobicContact CD2-CB 3.77Å; Y167-N286 HydrophobicContact CE2-CB 3.34Å
287	N	85.3	Confident	93.7	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	24%	0.235	S	C	.	.	S	Bend	trans	-139.3	140.8	179.2	-172.5	-63.1	0	0	0	110.5	K283 V285 N289 S290	K283-N287 WeakPolarHBondContact CD-O 3.27Å; V285-N287 HydrophobicContact CG2-CB 4.1Å; V285-N287 PolarHBondContact O-N 3.27Å; N287-N289 PolarHBondContact O-N 3.09Å; N287-N289 PolarHBondContact OD1-N 3.39Å; N287-S290 WeakPolarHBondContact O-CB 3.26Å; N287-S290 PolarHBondContact O-N 3.4Å
288	A	79.6	Confident	93.7	Very high	84 Å²	84	43 Å²	43	69%	0.694	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.3	179.6	0	0	0	0	0	112.9
289	N	85.1	Confident	93.8	Very high	149 Å²	149	42.9 Å²	42.9	80%	0.797	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	5.8	-178.2	-61.7	-32.3	0	0	0	113.6	N287	N287-N289 PolarHBondContact O-N 3.09Å; N287-N289 PolarHBondContact OD1-N 3.39Å
290	S	91.4	Very high	93.9	Very high	23 Å²	23	42.7 Å²	42.7	16%	0.161	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.2	138	179.8	177.2	0	0	0	0	111	T284 V285 N287	T284-S290 PolarHBondContact N-OG 2.63Å; V285-S290 PolarHBondContact N-OG 3.14Å; V285-S290 VanDerWaalsContact O-CB 3.24Å; V285-S290 WeakPolarHBondContact O-CB 3.32Å; V285-S290 PolarHBondContact O-OG 2.89Å; N287-S290 WeakPolarHBondContact O-CB 3.26Å; N287-S290 PolarHBondContact O-N 3.4Å
291	Q	93.7	Very high	94	Very high	142 Å²	142	42.4 Å²	42.4	66%	0.664	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-69	151.4	174.2	-63.5	-174.9	-10.4	0	0	111.3	K283 T284	K283-Q291 CarbonylContact C-O 3.58Å; K283-Q291 WeakPolarHBondContact CA-O 3.32Å; T284-Q291 PolarHBondContact N-O 3.32Å; T284-Q291 PolarHBondContact OG1-O 3.04Å
292	K	94.8	Very high	94.3	Very high	98 Å²	98	41.7 Å²	41.7	43%	0.426	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-59.6	141.5	167.9	-175.5	175.9	65.6	163.4	0	110.2	P281 W282 F296	P281-K292 HydrophobicContact CB-CD 3.74Å; P281-K292 HydrophobicContact CB-CG 4.42Å; W282-K292 CarbonylContact O-C 3.55Å; W282-K292 WeakPolarHBondContact O-CA 3.24Å; K292-F296 HydrophobicContact CD-CB 3.73Å; K292-F296 HydrophobicContact CD-CD1 4.01Å; K292-F296 HydrophobicContact CD-CD2 4.22Å; K292-F296 HydrophobicContact CD-CG 3.72Å; K292-F296 HydrophobicContact CG-CB 3.88Å; K292-F296 HydrophobicContact CG-CD1 4.48Å; K292-F296 HydrophobicContact CG-CG 4.3Å; K292-F296 VanDerWaalsContact NZ-CE1 3.31Å; K292-F296 VanDerWaalsContact NZ-CZ 3.31Å
293	I	97.9	Very high	94.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-59.7	144.3	175.5	57.5	170.6	0	0	0	111.6	W282 F296 R357 L358	W282-I293 HydrophobicContact CB-CD1 4.32Å; W282-I293 WeakPolarHBondContact O-CG1 3.39Å; W282-I293 PolarHBondContact O-N 2.77Å; I293-F296 HydrophobicContact CG1-CB 4Å; I293-F296 WeakPolarHBondContact O-CB 3.35Å; I293-F296 PolarHBondContact O-N 3.47Å; I293-R357 WeakPolarHBondContact CB-O 3.42Å; I293-R357 HydrophobicContact CD1-CB 3.65Å; I293-R357 HydrophobicContact CD1-CG 3.74Å; I293-L358 HydrophobicContact CG2-CD2 3.94Å
294	P	97.7	Very high	94.4	Very high	28 Å²	28	38.8 Å²	38.8	18%	0.182	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.2	178.7	-25.9	36.3	0	0	0	113.7	F296 S317 A318 R357 L358 K360	P294-F296 PolarHBondContact O-N 3.22Å; P294-S317 PolarHBondContact O-OG 2.84Å; P294-A318 HydrophobicContact CB-CB 3.98Å; P294-R357 WeakPolarHBondContact CD-O 3.24Å; P294-L358 WeakPolarHBondContact CD-O 3.42Å; P294-L358 WeakPolarHBondContact CG-O 3.3Å; P294-K360 HydrophobicContact CB-CG 3.84Å; P294-K360 HydrophobicContact CG-CD 4.22Å; P294-K360 HydrophobicContact CG-CG 3.5Å
295	G	97.8	Very high	94.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	45	174.8	0	0	0	0	0	112.6	A297 I298 S317 R357	G295-A297 PolarHBondContact O-N 3.5Å; G295-I298 WeakPolarHBondContact O-CD1 3.04Å; G295-I298 WeakPolarHBondContact O-CG1 3.45Å; G295-S317 WeakPolarHBondContact CA-OG 3.13Å; G295-R357 WeakPolarHBondContact CA-O 3.47Å; G295-R357 PolarHBondContact N-O 2.98Å
296	F	96.5	Very high	94.6	Very high	52 Å²	52	36.2 Å²	36.2	23%	0.228	20%	0.198	C	C	.	.	S	Bend	trans	-65.5	-27.4	177.3	69	-88.7	0	0	0	112.5	N279 F280 K292 I293 P294 S317	N279-F296 CarbonylContact C-O 3.53Å; N279-F296 WeakPolarHBondContact CA-O 3.45Å; N279-F296 WeakPolarHBondContact OD1-CD2 3.38Å; F280-F296 PolarHBondContact N-O 3.43Å; F280-F296 WeakPolarHBondContact O-CA 3.19Å; F280-F296 WeakPolarHBondContact O-CB 3.49Å; K292-F296 HydrophobicContact CD-CB 3.73Å; K292-F296 HydrophobicContact CD-CD1 4.01Å; K292-F296 HydrophobicContact CD-CD2 4.22Å; K292-F296 HydrophobicContact CD-CG 3.72Å; K292-F296 HydrophobicContact CG-CB 3.88Å; K292-F296 HydrophobicContact CG-CD1 4.48Å; K292-F296 HydrophobicContact CG-CG 4.3Å; K292-F296 VanDerWaalsContact NZ-CE1 3.31Å; K292-F296 VanDerWaalsContact NZ-CZ 3.31Å; I293-F296 HydrophobicContact CG1-CB 4Å; I293-F296 WeakPolarHBondContact O-CB 3.35Å; I293-F296 PolarHBondContact O-N 3.47Å; P294-F296 PolarHBondContact O-N 3.22Å; F296-S317 WeakPolarHBondContact CD1-OG 3.44Å; F296-S317 PolarHBondContact N-OG 2.85Å; F296-S317 VanDerWaalsContact N-OG 3.12Å
297	A	96.4	Very high	95.1	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.9	169.3	0	0	0	0	0	111.3	Y278 G295 T316 S317 L541	Y278-A297 CarbonylContact O-C 3.54Å; Y278-A297 WeakPolarHBondContact O-CA 3.41Å; G295-A297 PolarHBondContact O-N 3.5Å; A297-T316 CarbonylContact O-C 3.51Å; A297-T316 WeakPolarHBondContact O-CA 3.21Å; A297-S317 PolarHBondContact N-OG 2.96Å; A297-S317 PolarHBondContact O-N 2.89Å; A297-S317 PolarHBondContact O-OG 2.92Å; A297-L541 HydrophobicContact CB-CD1 3.73Å
298	I	97.7	Very high	95.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	122.5	-177.1	-53.5	176.6	0	0	0	109.6	H277 Y278 G295 F300 Y314 L315 T316 M353 N356 R357	H277-I298 CarbonylContact C-O 3.55Å; H277-I298 WeakPolarHBondContact CA-O 3.05Å; Y278-I298 PolarHBondContact N-O 3.33Å; Y278-I298 PolarHBondContact O-N 2.97Å; G295-I298 WeakPolarHBondContact O-CD1 3.04Å; G295-I298 WeakPolarHBondContact O-CG1 3.45Å; I298-F300 HydrophobicContact CG2-CD1 3.87Å; I298-Y314 HydrophobicContact CG2-CD1 3.97Å; I298-L315 CarbonylContact C-O 3.49Å; I298-L315 VanDerWaalsContact CA-O 3.28Å; I298-L315 WeakPolarHBondContact CA-O 3.33Å; I298-T316 HydrophobicContact CG1-CG2 4.29Å; I298-T316 HydrophobicContact CG2-CG2 4.42Å; I298-M353 HydrophobicContact CD1-SD 3.66Å; I298-N356 HydrophobicContact CD1-CB 3.96Å; I298-R357 HydrophobicContact CD1-CG 4Å
299	T	97.7	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.9	169.9	-57.5	0	0	0	0	110.3	K276 H277 Y314 L315 L541 M543 F584	K276-T299 CarbonylContact O-C 3.51Å; K276-T299 VanDerWaalsContact O-CA 3.24Å; K276-T299 WeakPolarHBondContact O-CA 3.42Å; H277-T299 PolarHBondContact ND1-OG1 2.99Å; T299-Y314 CarbonylContact O-C 3.53Å; T299-Y314 WeakPolarHBondContact O-CA 3.32Å; T299-L315 PolarHBondContact N-O 3.37Å; T299-L315 PolarHBondContact O-N 2.96Å; T299-L541 VanDerWaalsContact CB-O 3.24Å; T299-L541 WeakPolarHBondContact CB-O 3.27Å; T299-L541 WeakPolarHBondContact CG2-O 3.44Å; T299-L541 WeakPolarHBondContact OG1-CB 3.35Å; T299-L541 PolarHBondContact OG1-O 3.45Å; T299-M543 HydrophobicContact CG2-CE 3.67Å; T299-F584 HydrophobicContact CG2-CD2 3.73Å; T299-F584 HydrophobicContact CG2-CE2 3.41Å; T299-F584 VanDerWaalsContact CG2-CE2 3.41Å
300	F	98.6	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	152.5	-176.9	60.8	-74.3	0	0	0	113.3	K276 Y278 I298 F313 Y314 M353	K276-F300 HydrophobicContact CB-CD1 4.1Å; K276-F300 HydrophobicContact CB-CD2 4.48Å; K276-F300 HydrophobicContact CB-CE1 3.67Å; K276-F300 HydrophobicContact CB-CE2 4.11Å; K276-F300 HydrophobicContact CB-CG 4.49Å; K276-F300 HydrophobicContact CB-CZ 3.68Å; K276-F300 HydrophobicContact CD-CE2 3.86Å; K276-F300 HydrophobicContact CD-CZ 3.69Å; K276-F300 HydrophobicContact CG-CE2 4.43Å; K276-F300 HydrophobicContact CG-CZ 4.27Å; K276-F300 PolarHBondContact N-O 2.57Å; K276-F300 PolarHBondContact O-N 2.96Å; Y278-F300 AromaticContact CD2-CE1 3.61Å; Y278-F300 HydrophobicContact CD2-CE1 3.61Å; Y278-F300 AromaticContact CD2-CZ 3.87Å; Y278-F300 HydrophobicContact CD2-CZ 3.87Å; Y278-F300 HydrophobicContact CE1-CZ 4.48Å; Y278-F300 AromaticContact CE2-CE1 3.67Å; Y278-F300 HydrophobicContact CE2-CE1 3.67Å; Y278-F300 AromaticContact CE2-CZ 3.4Å; Y278-F300 HydrophobicContact CE2-CZ 3.4Å; Y278-F300 VanDerWaalsContact CE2-CZ 3.4Å; Y278-F300 HydrophobicContact CG-CE1 4.09Å; Y278-F300 AromaticContact CZ-CZ 3.75Å; I298-F300 HydrophobicContact CG2-CD1 3.87Å; F300-F313 VanDerWaalsContact CA-O 3.24Å; F300-F313 WeakPolarHBondContact CA-O 3.31Å; F300-F313 WeakPolarHBondContact CB-O 3.43Å; F300-Y314 HydrophobicContact CB-CD1 3.38Å; F300-Y314 HydrophobicContact CB-CE1 3.88Å; F300-Y314 HydrophobicContact CB-CG 4.1Å; F300-Y314 HydrophobicContact CD1-CD1 4.27Å; F300-Y314 HydrophobicContact CD2-CD1 4.21Å; F300-Y314 AromaticContact CD2-CE1 3.86Å; F300-Y314 HydrophobicContact CD2-CE1 3.86Å; F300-Y314 AromaticContact CG-CD1 3.73Å; F300-Y314 HydrophobicContact CG-CD1 3.73Å; F300-Y314 AromaticContact CG-CE1 3.86Å; F300-Y314 HydrophobicContact CG-CE1 3.86Å; F300-M353 HydrophobicContact CZ-CE 4.37Å
301	S	98.7	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.5	169.4	50.6	0	0	0	0	110.1	S309 D311 F313 K531	S301-S309 WeakPolarHBondContact O-CA 3.36Å; S301-S309 WeakPolarHBondContact O-CB 3.39Å; S301-S309 PolarHBondContact O-OG 3.34Å; S301-D311 WeakPolarHBondContact CB-OD2 3.4Å; S301-D311 PolarHBondContact OG-OD2 2.88Å; S301-F313 PolarHBondContact N-O 3.06Å; S301-K531 WeakPolarHBondContact OG-CE 3.34Å
302	S	98.6	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-162	-171.7	-172.3	0	0	0	0	111.1	V274 K276 L306 S308	V274-S302 PolarHBondContact N-O 3.36Å; V274-S302 CarbonylContact O-C 3.58Å; V274-S302 VanDerWaalsContact O-C 3.31Å; V274-S302 WeakPolarHBondContact O-CA 3.35Å; V274-S302 WeakPolarHBondContact O-CB 3.47Å; V274-S302 PolarHBondContact O-N 2.81Å; K276-S302 WeakPolarHBondContact CE-OG 3.38Å; K276-S302 PolarHBondContact NZ-OG 2.82Å; S302-L306 PolarHBondContact OG-O 3.47Å; S302-S308 PolarHBondContact OG-O 3.33Å
303	Y	98.1	Very high	97.9	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.012	3%	0.028	C	C	.	.			trans	-136.4	161.6	-176.5	-55.2	-89.9	0	0	0	109.2	I270 L272 K276 T305 L306 S309 V310 D311	I270-Y303 HydrophobicContact CB-CD1 4.46Å; I270-Y303 HydrophobicContact CB-CE1 4.06Å; I270-Y303 HydrophobicContact CD1-CE1 3.62Å; I270-Y303 HydrophobicContact CD1-CE2 4.37Å; I270-Y303 VanDerWaalsContact CD1-OH 3.26Å; I270-Y303 WeakPolarHBondContact CD1-OH 3.4Å; I270-Y303 HydrophobicContact CG1-CE1 3.72Å; I270-Y303 WeakPolarHBondContact O-CD1 3.38Å; I270-Y303 WeakPolarHBondContact O-CE1 3.42Å; L272-Y303 WeakPolarHBondContact O-CD1 3.47Å; K276-Y303 WeakPolarHBondContact CE-O 3.43Å; K276-Y303 PolarHBondContact NZ-O 3.24Å; Y303-T305 PolarHBondContact O-N 2.88Å; Y303-L306 HydrophobicContact CD2-CD2 3.9Å; Y303-L306 HydrophobicContact CG-CD2 4.3Å; Y303-L306 PolarHBondContact O-N 3.01Å; Y303-S309 WeakPolarHBondContact CD2-O 3.44Å; Y303-S309 WeakPolarHBondContact CE2-O 3.29Å; Y303-V310 HydrophobicContact CD2-CB 4.16Å; Y303-V310 HydrophobicContact CE2-CB 3.85Å; Y303-V310 HydrophobicContact CE2-CG1 4.03Å; Y303-D311 PolarHBondContact OH-OD1 2.86Å
304	P	98	Very high	97.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	129.6	-179.9	-25.9	34	0	0	0	112.4	L117 Q121 L272 V274 L306	L117-P304 HydrophobicContact CB-CB 3.95Å; L117-P304 HydrophobicContact CB-CG 3.73Å; L117-P304 HydrophobicContact CD2-CG 3.71Å; L117-P304 HydrophobicContact CG-CG 4.32Å; Q121-P304 HydrophobicContact CB-CG 4.38Å; L272-P304 HydrophobicContact CB-CG 4.17Å; L272-P304 WeakPolarHBondContact O-CD 3.38Å; V274-P304 HydrophobicContact CG2-CB 4.5Å; V274-P304 HydrophobicContact CG2-CG 3.9Å; P304-L306 WeakPolarHBondContact O-CD1 3.4Å; P304-L306 PolarHBondContact O-N 3.23Å
305	T	97.1	Very high	98	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	20.1	176.2	-64.7	0	0	0	0	115	T111 T118 M179 I209 Q213 Y303	T111-T305 WeakPolarHBondContact CB-OG1 3.38Å; T111-T305 HydrophobicContact CG2-CG2 4.17Å; T111-T305 WeakPolarHBondContact OG1-CG2 3.49Å; T111-T305 PolarHBondContact OG1-OG1 3.34Å; T118-T305 HydrophobicContact CG2-CG2 3.98Å; T118-T305 WeakPolarHBondContact CG2-OG1 3.21Å; T118-T305 WeakPolarHBondContact OG1-CB 3.48Å; T118-T305 PolarHBondContact OG1-OG1 3.05Å; M179-T305 HydrophobicContact CB-CG2 4.02Å; M179-T305 HydrophobicContact CG-CG2 4.29Å; M179-T305 HydrophobicContact SD-CG2 4.07Å; I209-T305 HydrophobicContact CD1-CG2 3.69Å; Q213-T305 PolarHBondContact NE2-O 3.49Å; Y303-T305 PolarHBondContact O-N 2.88Å
306	L	98.2	Very high	98	Very high	4 Å²	4	3.9 Å²	3.9	2%	0.021	2%	0.019	C	C	.	.			trans	-95.2	124.7	168.9	-85.5	69.9	0	0	0	112.1	L212 K276 S302 Y303 P304 S308 V310	L212-L306 HydrophobicContact CB-CD1 3.86Å; K276-L306 PolarHBondContact NZ-O 2.9Å; S302-L306 PolarHBondContact OG-O 3.47Å; Y303-L306 HydrophobicContact CD2-CD2 3.9Å; Y303-L306 HydrophobicContact CG-CD2 4.3Å; Y303-L306 PolarHBondContact O-N 3.01Å; P304-L306 WeakPolarHBondContact O-CD1 3.4Å; P304-L306 PolarHBondContact O-N 3.23Å; L306-S308 PolarHBondContact O-N 2.99Å; L306-V310 HydrophobicContact CD2-CB 4.21Å; L306-V310 HydrophobicContact CD2-CG2 3.52Å
307	T	98.1	Very high	98	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-73	-7.7	177	58.8	0	0	0	0	113.7	Q172 Q175 L176 M179 Q213 M353	Q172-T307 PolarHBondContact NE2-OG1 3.32Å; Q172-T307 VanDerWaalsContact NE2-OG1 3.12Å; Q175-T307 HydrophobicContact CG-CG2 4.11Å; L176-T307 HydrophobicContact CD2-CG2 3.56Å; L176-T307 HydrophobicContact CG-CG2 4.18Å; M179-T307 HydrophobicContact CE-CG2 3.51Å; M179-T307 HydrophobicContact SD-CG2 3.56Å; M179-T307 VanDerWaalsContact SD-CG2 3.56Å; Q213-T307 PolarHBondContact OE1-OG1 2.91Å; Q213-T307 VanDerWaalsContact OE1-OG1 3.06Å; T307-M353 WeakPolarHBondContact O-CE 3.29Å
308	S	98.1	Very high	98.1	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	-125.3	174.1	178.8	61.2	0	0	0	0	111.1	S302 L306	S302-S308 PolarHBondContact OG-O 3.33Å; L306-S308 PolarHBondContact O-N 2.99Å
309	S	98.5	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.			trans	-76.8	-48.4	179.7	176	0	0	0	0	112	S301 Y303 D311 D312 F313 Y314	S301-S309 WeakPolarHBondContact O-CA 3.36Å; S301-S309 WeakPolarHBondContact O-CB 3.39Å; S301-S309 PolarHBondContact O-OG 3.34Å; Y303-S309 WeakPolarHBondContact CD2-O 3.44Å; Y303-S309 WeakPolarHBondContact CE2-O 3.29Å; S309-D311 PolarHBondContact O-N 3.06Å; S309-D311 VanDerWaalsContact O-N 3.11Å; S309-D311 WeakPolarHBondContact OG-CB 3.45Å; S309-D311 PolarHBondContact OG-N 3.48Å; S309-D312 VanDerWaalsContact CB-OD1 3.24Å; S309-D312 WeakPolarHBondContact CB-OD1 3.36Å; S309-D312 WeakPolarHBondContact OG-CA 3.33Å; S309-F313 PolarHBondContact OG-N 3.33Å; S309-F313 VanDerWaalsContact OG-N 3.08Å; S309-Y314 VanDerWaalsContact CB-OH 3.29Å; S309-Y314 WeakPolarHBondContact CB-OH 3.35Å; S309-Y314 PolarHBondContact N-OH 2.95Å
310	V	96.4	Very high	98.1	Very high	9 Å²	9	5.1 Å²	5.1	6%	0.055	3%	0.031	C	C	.	.	S	Bend	trans	66.6	-5.1	-171.9	175.6	0	0	0	0	113.1	N215 Y303 L306 D312 Y377	N215-V310 HydrophobicContact CB-CG1 3.88Å; N215-V310 HydrophobicContact CB-CG2 4.33Å; N215-V310 WeakPolarHBondContact OD1-CG1 3.39Å; Y303-V310 HydrophobicContact CD2-CB 4.16Å; Y303-V310 HydrophobicContact CE2-CB 3.85Å; Y303-V310 HydrophobicContact CE2-CG1 4.03Å; L306-V310 HydrophobicContact CD2-CB 4.21Å; L306-V310 HydrophobicContact CD2-CG2 3.52Å; V310-D312 PolarHBondContact N-OD1 3.25Å; V310-Y377 PolarHBondContact O-OH 3.05Å
311	D	98.2	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-75.6	-57.8	173.8	-73.3	-13.2	0	0	0	112.4	C247 H262 T264 R273 S301 Y303 S309 K531	C247-D311 PolarHBondContact SG-O 2.86Å; H262-D311 PolarHBondContact CE1-O 3.43Å; T264-D311 HydrophobicContact CG2-CB 4.47Å; T264-D311 WeakPolarHBondContact OG1-CA 3.34Å; T264-D311 WeakPolarHBondContact OG1-CB 3.39Å; T264-D311 PolarHBondContact OG1-OD1 3.34Å; T264-D311 PolarHBondContact OG1-OD2 3.42Å; R273-D311 IonicContact CZ-OD1 3.96Å; R273-D311 IonicContact NH2-OD1 2.87Å; R273-D311 PolarHBondContact NH2-OD1 2.98Å; R273-D311 IonicContact NH2-OD2 2.79Å; R273-D311 PolarHBondContact NH2-OD2 3.2Å; S301-D311 WeakPolarHBondContact CB-OD2 3.4Å; S301-D311 PolarHBondContact OG-OD2 2.88Å; Y303-D311 PolarHBondContact OH-OD1 2.86Å; S309-D311 PolarHBondContact O-N 3.06Å; S309-D311 VanDerWaalsContact O-N 3.11Å; S309-D311 WeakPolarHBondContact OG-CB 3.45Å; S309-D311 PolarHBondContact OG-N 3.48Å; D311-K531 VanDerWaalsContact CG-NZ 3.34Å; D311-K531 WeakPolarHBondContact OD2-CE 3.48Å; D311-K531 IonicContact OD2-NZ 3.46Å; D311-K531 PolarHBondContact OD2-NZ 3.21Å
312	D	98.5	Very high	98.2	Very high	4 Å²	4	5.1 Å²	5.1	2%	0.021	3%	0.031	C	C	.	.			cis	-99.3	144.1	-8.7	-70.6	-77.9	0	0	0	113.6	S309 V310 Y314 T323 E324 W381	S309-D312 VanDerWaalsContact CB-OD1 3.24Å; S309-D312 WeakPolarHBondContact CB-OD1 3.36Å; S309-D312 WeakPolarHBondContact OG-CA 3.33Å; V310-D312 PolarHBondContact N-OD1 3.25Å; D312-Y314 HydrophobicContact CB-CD2 4.2Å; D312-Y314 HydrophobicContact CB-CE2 3.52Å; D312-Y314 WeakPolarHBondContact OD1-CE2 3.27Å; D312-Y314 PolarHBondContact OD1-OH 2.85Å; D312-T323 WeakPolarHBondContact O-CA 3.38Å; D312-T323 VanDerWaalsContact O-CB 3.3Å; D312-T323 WeakPolarHBondContact O-CB 3.38Å; D312-T323 PolarHBondContact O-OG1 3.08Å; D312-E324 HydrophobicContact CB-CG 3.63Å; D312-E324 PolarHBondContact N-OE1 2.85Å; D312-E324 VanDerWaalsContact N-OE1 3.16Å; D312-E324 PolarHBondContact O-N 2.94Å; D312-E324 WeakPolarHBondContact OD2-CG 3.29Å; D312-W381 HydrophobicContact CB-CH2 3.97Å; D312-W381 HydrophobicContact CB-CZ3 4Å; D312-W381 VanDerWaalsContact OD2-CH2 3.26Å; D312-W381 WeakPolarHBondContact OD2-CH2 3.48Å
313	F	98.8	Very high	98.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	113.7	171.4	-168	-93.6	0	0	0	112	H262 F300 S301 S309 L315 T321 I322 K531 V533 M543	H262-F313 HydrophobicContact CB-CB 4.4Å; H262-F313 HydrophobicContact CB-CD2 3.48Å; H262-F313 VanDerWaalsContact CB-CD2 3.48Å; H262-F313 HydrophobicContact CB-CE2 4.1Å; H262-F313 HydrophobicContact CB-CG 4.29Å; F300-F313 VanDerWaalsContact CA-O 3.24Å; F300-F313 WeakPolarHBondContact CA-O 3.31Å; F300-F313 WeakPolarHBondContact CB-O 3.43Å; S301-F313 PolarHBondContact N-O 3.06Å; S309-F313 PolarHBondContact OG-N 3.33Å; S309-F313 VanDerWaalsContact OG-N 3.08Å; F313-L315 HydrophobicContact CE1-CD2 4.15Å; F313-T321 HydrophobicContact CE2-CG2 4.36Å; F313-T321 HydrophobicContact CZ-CG2 4.31Å; F313-I322 CarbonylContact C-O 3.57Å; F313-I322 WeakPolarHBondContact CA-O 3.31Å; F313-K531 HydrophobicContact CD1-CB 3.85Å; F313-K531 HydrophobicContact CD1-CG 4.35Å; F313-K531 HydrophobicContact CD2-CB 4.42Å; F313-K531 HydrophobicContact CE1-CB 3.97Å; F313-K531 HydrophobicContact CG-CB 4.08Å; F313-K531 HydrophobicContact CZ-CB 4.29Å; F313-V533 HydrophobicContact CE1-CG1 3.92Å; F313-V533 HydrophobicContact CZ-CB 4.5Å; F313-V533 HydrophobicContact CZ-CG1 3.94Å; F313-V533 HydrophobicContact CZ-CG2 3.95Å; F313-M543 HydrophobicContact CD1-CE 3.88Å; F313-M543 HydrophobicContact CD1-SD 4.15Å; F313-M543 HydrophobicContact CE1-CB 4.42Å; F313-M543 HydrophobicContact CE1-CE 4.02Å; F313-M543 HydrophobicContact CE1-SD 4.29Å
314	Y	98.9	Very high	98.2	Very high	1 Å²	1	5.1 Å²	5.1	0%	0.004	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.2	-175.8	-53	-91.9	0	0	0	112.4	I298 T299 F300 S309 D312 T321 I322 M353 N356 W381	I298-Y314 HydrophobicContact CG2-CD1 3.97Å; T299-Y314 CarbonylContact O-C 3.53Å; T299-Y314 WeakPolarHBondContact O-CA 3.32Å; F300-Y314 HydrophobicContact CB-CD1 3.38Å; F300-Y314 HydrophobicContact CB-CE1 3.88Å; F300-Y314 HydrophobicContact CB-CG 4.1Å; F300-Y314 HydrophobicContact CD1-CD1 4.27Å; F300-Y314 HydrophobicContact CD2-CD1 4.21Å; F300-Y314 AromaticContact CD2-CE1 3.86Å; F300-Y314 HydrophobicContact CD2-CE1 3.86Å; F300-Y314 AromaticContact CG-CD1 3.73Å; F300-Y314 HydrophobicContact CG-CD1 3.73Å; F300-Y314 AromaticContact CG-CE1 3.86Å; F300-Y314 HydrophobicContact CG-CE1 3.86Å; S309-Y314 VanDerWaalsContact CB-OH 3.29Å; S309-Y314 WeakPolarHBondContact CB-OH 3.35Å; S309-Y314 PolarHBondContact N-OH 2.95Å; D312-Y314 HydrophobicContact CB-CD2 4.2Å; D312-Y314 HydrophobicContact CB-CE2 3.52Å; D312-Y314 WeakPolarHBondContact OD1-CE2 3.27Å; D312-Y314 PolarHBondContact OD1-OH 2.85Å; Y314-T321 WeakPolarHBondContact O-CA 3.28Å; Y314-I322 HydrophobicContact CD2-CB 4.36Å; Y314-I322 HydrophobicContact CD2-CG2 4.48Å; Y314-I322 PolarHBondContact N-O 2.97Å; Y314-I322 PolarHBondContact O-N 3.11Å; Y314-M353 HydrophobicContact CD1-CE 4.33Å; Y314-M353 HydrophobicContact CE1-CE 3.7Å; Y314-N356 VanDerWaalsContact CD1-ND2 3.34Å; Y314-N356 WeakPolarHBondContact CD1-ND2 3.49Å; Y314-N356 WeakPolarHBondContact CD2-ND2 3.2Å; Y314-N356 VanDerWaalsContact CG-ND2 3.27Å; Y314-W381 HydrophobicContact CE2-CH2 4.31Å; Y314-W381 HydrophobicContact CE2-CZ3 4.15Å
315	L	98.6	Very high	98.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.1	166.2	-48.2	173.8	0	0	0	107.6	I298 T299 F313 T321 V533 L541 N542 M543	I298-L315 CarbonylContact C-O 3.49Å; I298-L315 VanDerWaalsContact CA-O 3.28Å; I298-L315 WeakPolarHBondContact CA-O 3.33Å; T299-L315 PolarHBondContact N-O 3.37Å; T299-L315 PolarHBondContact O-N 2.96Å; F313-L315 HydrophobicContact CE1-CD2 4.15Å; L315-T321 HydrophobicContact CD2-CG2 3.84Å; L315-V533 HydrophobicContact CD1-CG1 3.84Å; L315-V533 HydrophobicContact CD2-CB 4.44Å; L315-V533 HydrophobicContact CD2-CG1 3.82Å; L315-V533 HydrophobicContact CD2-CG2 4.04Å; L315-V533 HydrophobicContact CG-CG1 4.4Å; L315-L541 HydrophobicContact CB-CD2 3.97Å; L315-N542 WeakPolarHBondContact CD1-O 3.47Å; L315-M543 HydrophobicContact CD1-CB 4.34Å; L315-M543 HydrophobicContact CD1-CE 3.9Å; L315-M543 HydrophobicContact CG-CE 4.13Å
316	T	98.3	Very high	98.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.2	-178.2	77	0	0	0	0	111.8	A297 I298 A318 N319 L320 I322 N356 L541	A297-T316 CarbonylContact O-C 3.51Å; A297-T316 WeakPolarHBondContact O-CA 3.21Å; I298-T316 HydrophobicContact CG1-CG2 4.29Å; I298-T316 HydrophobicContact CG2-CG2 4.42Å; T316-A318 PolarHBondContact O-N 2.83Å; T316-A318 PolarHBondContact OG1-N 2.87Å; T316-N319 WeakPolarHBondContact O-CA 3.28Å; T316-N319 PolarHBondContact O-N 2.88Å; T316-L320 PolarHBondContact N-O 3.33Å; T316-I322 HydrophobicContact CG2-CD1 3.57Å; T316-N356 HydrophobicContact CG2-CB 4.22Å; T316-L541 WeakPolarHBondContact O-CD2 3.42Å
317	S	96.9	Very high	98.2	Very high	30 Å²	30	5.4 Å²	5.4	21%	0.21	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.4	173.5	51.1	0	0	0	0	114.2	P294 G295 F296 A297 N319	P294-S317 PolarHBondContact O-OG 2.84Å; G295-S317 WeakPolarHBondContact CA-OG 3.13Å; F296-S317 WeakPolarHBondContact CD1-OG 3.44Å; F296-S317 PolarHBondContact N-OG 2.85Å; F296-S317 VanDerWaalsContact N-OG 3.12Å; A297-S317 PolarHBondContact N-OG 2.96Å; A297-S317 PolarHBondContact O-N 2.89Å; A297-S317 PolarHBondContact O-OG 2.92Å; S317-N319 PolarHBondContact O-N 2.96Å
318	A	97.5	Very high	98	Very high	11 Å²	11	8.8 Å²	8.8	9%	0.091	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.3	168	0	0	0	0	0	112.8	P294 T316 L320 A359 K387	P294-A318 HydrophobicContact CB-CB 3.98Å; T316-A318 PolarHBondContact O-N 2.83Å; T316-A318 PolarHBondContact OG1-N 2.87Å; A318-L320 VanDerWaalsContact C-N 3.27Å; A318-L320 HydrophobicContact CB-CG 4.26Å; A318-L320 PolarHBondContact O-N 3.26Å; A318-A359 WeakPolarHBondContact CB-O 3.44Å; A318-K387 WeakPolarHBondContact O-CE 3.41Å; A318-K387 PolarHBondContact O-NZ 2.87Å
319	N	97.9	Very high	98	Very high	45 Å²	45	9.3 Å²	9.3	24%	0.241	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	37.9	-174.5	-60	-16.7	0	0	0	112.7	T316 S317 A386 K387	T316-N319 WeakPolarHBondContact O-CA 3.28Å; T316-N319 PolarHBondContact O-N 2.88Å; S317-N319 PolarHBondContact O-N 2.96Å; N319-A386 HydrophobicContact CB-CB 4.46Å; N319-A386 PolarHBondContact O-N 3.03Å; N319-A386 VanDerWaalsContact O-N 3.17Å; N319-K387 HydrophobicContact CB-CD 4.19Å; N319-K387 HydrophobicContact CB-CG 3.76Å
320	L	98.7	Very high	97.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.3	171	-57.4	-177.9	0	0	0	109.2	T316 A318 I322 A359 I383 F384 D385	T316-L320 PolarHBondContact N-O 3.33Å; A318-L320 VanDerWaalsContact C-N 3.27Å; A318-L320 HydrophobicContact CB-CG 4.26Å; A318-L320 PolarHBondContact O-N 3.26Å; L320-I322 HydrophobicContact CB-CD1 3.55Å; L320-I322 HydrophobicContact CB-CG1 4.26Å; L320-A359 HydrophobicContact CD1-CB 4.2Å; L320-I383 HydrophobicContact CD1-CG2 4.34Å; L320-F384 WeakPolarHBondContact CA-O 3.4Å; L320-D385 HydrophobicContact CD2-CB 3.64Å
321	T	98.8	Very high	97.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.1	163.9	-59.8	0	0	0	0	108	L260 F313 Y314 L315 F384 V533 T538	L260-T321 HydrophobicContact CB-CG2 4.07Å; L260-T321 HydrophobicContact CD2-CG2 3.83Å; L260-T321 HydrophobicContact CG-CG2 4.37Å; F313-T321 HydrophobicContact CE2-CG2 4.36Å; F313-T321 HydrophobicContact CZ-CG2 4.31Å; Y314-T321 WeakPolarHBondContact O-CA 3.28Å; L315-T321 HydrophobicContact CD2-CG2 3.84Å; T321-F384 PolarHBondContact N-O 3.34Å; T321-F384 PolarHBondContact O-N 3.49Å; T321-V533 HydrophobicContact CG2-CG2 4.11Å; T321-T538 WeakPolarHBondContact OG1-CG2 3.32Å; T321-T538 PolarHBondContact OG1-OG1 3.34Å
322	I	98.9	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.7	-174.5	-54.8	96.9	0	0	0	109	F313 Y314 T316 L320 W365 W381 M382 I383	F313-I322 CarbonylContact C-O 3.57Å; F313-I322 WeakPolarHBondContact CA-O 3.31Å; Y314-I322 HydrophobicContact CD2-CB 4.36Å; Y314-I322 HydrophobicContact CD2-CG2 4.48Å; Y314-I322 PolarHBondContact N-O 2.97Å; Y314-I322 PolarHBondContact O-N 3.11Å; T316-I322 HydrophobicContact CG2-CD1 3.57Å; L320-I322 HydrophobicContact CB-CD1 3.55Å; L320-I322 HydrophobicContact CB-CG1 4.26Å; I322-W365 HydrophobicContact CG2-CZ2 3.84Å; I322-W381 HydrophobicContact CG2-CE3 3.53Å; I322-W381 HydrophobicContact CG2-CZ3 3.71Å; I322-M382 WeakPolarHBondContact CA-O 3.48Å; I322-I383 HydrophobicContact CG1-CG2 4.07Å; I322-I383 HydrophobicContact CG2-CG1 4.34Å
323	T	98.9	Very high	97.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	169.5	175.5	-171.7	0	0	0	0	110.5	H262 D312 W381 M382	H262-T323 WeakPolarHBondContact CB-OG1 3.48Å; H262-T323 PolarHBondContact CD2-OG1 3.48Å; H262-T323 VanDerWaalsContact CD2-OG1 3.3Å; H262-T323 VanDerWaalsContact CG-OG1 3.24Å; D312-T323 WeakPolarHBondContact O-CA 3.38Å; D312-T323 VanDerWaalsContact O-CB 3.3Å; D312-T323 WeakPolarHBondContact O-CB 3.38Å; D312-T323 PolarHBondContact O-OG1 3.08Å; T323-W381 CarbonylContact O-C 3.56Å; T323-W381 WeakPolarHBondContact O-CA 3.38Å; T323-M382 HydrophobicContact CG2-CB 4.15Å; T323-M382 HydrophobicContact CG2-CE 3.85Å; T323-M382 HydrophobicContact CG2-SD 4.33Å; T323-M382 PolarHBondContact N-O 3.35Å; T323-M382 PolarHBondContact O-N 3.23Å
324	E	98.8	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.1	-178.1	66.8	84	-162.9	0	0	112.9	H262 D312 T326 Y377 N379 Q380 W381	H262-E324 PolarHBondContact CD2-O 2.8Å; H262-E324 PolarHBondContact NE2-O 3.02Å; D312-E324 HydrophobicContact CB-CG 3.63Å; D312-E324 PolarHBondContact N-OE1 2.85Å; D312-E324 VanDerWaalsContact N-OE1 3.16Å; D312-E324 PolarHBondContact O-N 2.94Å; D312-E324 WeakPolarHBondContact OD2-CG 3.29Å; E324-T326 PolarHBondContact OE2-N 2.52Å; E324-T326 PolarHBondContact OE2-OG1 2.91Å; E324-Y377 PolarHBondContact OE1-OH 2.71Å; E324-N379 HydrophobicContact CB-CB 3.98Å; E324-N379 VanDerWaalsContact CD-ND2 3.3Å; E324-N379 HydrophobicContact CG-CB 4.25Å; E324-N379 WeakPolarHBondContact OE2-CB 3.15Å; E324-N379 PolarHBondContact OE2-ND2 2.84Å; E324-N379 PolarHBondContact OE2-OD1 2.77Å; E324-Q380 CarbonylContact C-O 3.57Å; E324-Q380 WeakPolarHBondContact CA-O 3.49Å; E324-Q380 WeakPolarHBondContact CB-O 3.49Å; E324-W381 HydrophobicContact CB-CD2 3.83Å; E324-W381 HydrophobicContact CB-CE3 3.84Å; E324-W381 HydrophobicContact CB-CG 4.27Å; E324-W381 HydrophobicContact CB-CZ3 4.21Å; E324-W381 HydrophobicContact CG-CD2 4.49Å; E324-W381 HydrophobicContact CG-CE3 4.38Å; E324-W381 HydrophobicContact CG-CH2 4.23Å; E324-W381 HydrophobicContact CG-CZ2 4.34Å; E324-W381 HydrophobicContact CG-CZ3 4.25Å
325	T	98.6	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.8	155.4	78.7	0	0	0	0	110.9	C247 A249 N327 Q380 M382 S423 Y424 N425	C247-T325 HydrophobicContact CB-CG2 3.61Å; A249-T325 HydrophobicContact CB-CG2 3.96Å; T325-N327 PolarHBondContact O-N 3.11Å; T325-Q380 PolarHBondContact N-O 3.31Å; T325-Q380 PolarHBondContact O-N 2.64Å; T325-M382 HydrophobicContact CG2-CE 4.26Å; T325-S423 WeakPolarHBondContact CG2-OG 3.37Å; T325-S423 PolarHBondContact OG1-OG 2.76Å; T325-Y424 PolarHBondContact OG1-N 2.71Å; T325-N425 PolarHBondContact OG1-N 2.89Å; T325-N425 VanDerWaalsContact OG1-N 3.09Å
326	T	98.1	Very high	97.6	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.049	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.4	-173.5	-46	0	0	0	0	113.1	P245 E324 Y377 N379 N425	P245-T326 HydrophobicContact CB-CG2 4.41Å; P245-T326 HydrophobicContact CG-CG2 4.15Å; E324-T326 PolarHBondContact OE2-N 2.52Å; E324-T326 PolarHBondContact OE2-OG1 2.91Å; T326-Y377 HydrophobicContact CG2-CD2 4.14Å; T326-Y377 HydrophobicContact CG2-CE2 4.28Å; T326-Y377 WeakPolarHBondContact OG1-CE2 3.32Å; T326-N379 WeakPolarHBondContact CA-OD1 3.46Å; T326-N379 WeakPolarHBondContact CB-OD1 3.19Å; T326-N379 WeakPolarHBondContact CG2-OD1 3.41Å; T326-N379 PolarHBondContact OG1-OD1 2.85Å; T326-N425 PolarHBondContact N-ND2 3.45Å; T326-N425 VanDerWaalsContact N-ND2 3.18Å; T326-N425 WeakPolarHBondContact O-CA 3.24Å; T326-N425 WeakPolarHBondContact O-CB 3.46Å; T326-N425 PolarHBondContact O-ND2 2.83Å
327	N	97.1	Very high	97.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.011	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-87.5	146.3	169.6	-74.2	-35.9	0	0	0	110.8	T325 N378 L426 P427	T325-N327 PolarHBondContact O-N 3.11Å; N327-N378 CarbonylContact C-O 3.56Å; N327-N378 WeakPolarHBondContact CA-O 3.4Å; N327-N378 WeakPolarHBondContact CB-O 3.42Å; N327-N378 PolarHBondContact N-O 2.83Å; N327-L426 WeakPolarHBondContact OD1-CA 3.4Å; N327-L426 PolarHBondContact OD1-N 3.15Å; N327-P427 HydrophobicContact CB-CG 4.09Å; N327-P427 WeakPolarHBondContact OD1-CD 3.14Å; N327-P427 VanDerWaalsContact OD1-N 3.1Å
328	N	94.3	Very high	97.6	Very high	72 Å²	72	32.1 Å²	32.1	39%	0.385	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-90.9	143.9	175.7	-72.9	-83.6	0	0	0	111.4	Y330	N328-Y330 HydrophobicContact CB-CD2 4.28Å; N328-Y330 HydrophobicContact CB-CE1 4Å; N328-Y330 HydrophobicContact CB-CE2 3.53Å; N328-Y330 WeakPolarHBondContact CB-OH 3.14Å; N328-Y330 PolarHBondContact ND2-OH 3.35Å
329	V	96.5	Very high	97.6	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	18%	0.179	C	C	.	.			trans	-104.1	102.7	172.4	-171.7	0	0	0	0	109.6	L334 W335 N378 L402	V329-L334 HydrophobicContact CG1-CB 4.45Å; V329-L334 HydrophobicContact CG1-CD1 4.04Å; V329-W335 HydrophobicContact CB-CH2 3.43Å; V329-W335 VanDerWaalsContact CB-CH2 3.43Å; V329-W335 HydrophobicContact CB-CZ2 3.53Å; V329-W335 HydrophobicContact CB-CZ3 4.33Å; V329-W335 HydrophobicContact CG1-CH2 3.8Å; V329-W335 HydrophobicContact CG1-CZ2 3.8Å; V329-W335 HydrophobicContact CG1-CZ3 4.33Å; V329-W335 HydrophobicContact CG2-CH2 3.65Å; V329-W335 HydrophobicContact CG2-CZ2 4.28Å; V329-W335 HydrophobicContact CG2-CZ3 4.34Å; V329-N378 HydrophobicContact CG2-CB 3.99Å; V329-N378 WeakPolarHBondContact CG2-ND2 3.48Å; V329-L402 HydrophobicContact CG2-CD2 3.68Å
330	Y	96.5	Very high	97.6	Very high	54 Å²	54	39.7 Å²	39.7	21%	0.212	20%	0.196	C	C	.	.			trans	-90	-19.1	176.6	-58.7	-67.9	0	0	0	113	N328 Y332 S436 M441 Y449	N328-Y330 HydrophobicContact CB-CD2 4.28Å; N328-Y330 HydrophobicContact CB-CE1 4Å; N328-Y330 HydrophobicContact CB-CE2 3.53Å; N328-Y330 WeakPolarHBondContact CB-OH 3.14Å; N328-Y330 PolarHBondContact ND2-OH 3.35Å; Y330-Y332 VanDerWaalsContact O-CD2 3.26Å; Y330-Y332 WeakPolarHBondContact O-CD2 3.4Å; Y330-Y332 PolarHBondContact O-N 2.74Å; Y330-S436 CarbonylContact C-O 3.52Å; Y330-S436 VanDerWaalsContact CA-O 3.31Å; Y330-S436 WeakPolarHBondContact CA-O 3.26Å; Y330-S436 WeakPolarHBondContact CB-O 3.03Å; Y330-S436 PolarHBondContact N-O 2.84Å; Y330-M441 HydrophobicContact CD1-CE 4.23Å; Y330-M441 HydrophobicContact CD1-CG 3.82Å; Y330-M441 HydrophobicContact CD1-SD 4.06Å; Y330-M441 HydrophobicContact CD2-CB 4.46Å; Y330-M441 HydrophobicContact CD2-CG 3.5Å; Y330-M441 HydrophobicContact CE1-CE 4.19Å; Y330-M441 HydrophobicContact CE1-CG 4.22Å; Y330-M441 HydrophobicContact CE2-CG 3.89Å; Y330-M441 HydrophobicContact CG-CG 3.46Å; Y330-M441 VanDerWaalsContact CG-CG 3.46Å; Y330-M441 HydrophobicContact CG-SD 4.16Å; Y330-Y449 HydrophobicContact CE2-CD1 4.22Å; Y330-Y449 HydrophobicContact CE2-CE1 4.04Å; Y330-Y449 AromaticContact CZ-CE1 3.71Å; Y330-Y449 WeakPolarHBondContact OH-CE1 3.5Å
331	N	97.4	Very high	97.6	Very high	51 Å²	51	39.8 Å²	39.8	27%	0.273	20%	0.197	S	C	.	.			trans	-84	88.1	175.7	-176.2	5.6	0	0	0	111.1	S333 L334 L435 S436	N331-S333 PolarHBondContact ND2-OG 3.48Å; N331-S333 PolarHBondContact O-N 2.97Å; N331-S333 WeakPolarHBondContact OD1-CB 3.4Å; N331-S333 PolarHBondContact OD1-N 2.75Å; N331-S333 PolarHBondContact OD1-OG 2.95Å; N331-L334 HydrophobicContact CB-CD1 4.26Å; N331-L334 HydrophobicContact CB-CG 4.33Å; N331-L334 WeakPolarHBondContact O-CB 3.18Å; N331-L334 PolarHBondContact O-N 3.03Å; N331-L334 VanDerWaalsContact O-N 3.13Å; N331-L435 WeakPolarHBondContact CB-O 3.29Å; N331-L435 PolarHBondContact ND2-O 3.1Å; N331-S436 PolarHBondContact N-O 2.75Å
332	Y	95.5	Very high	97.5	Very high	146 Å²	146	40.2 Å²	40.2	57%	0.573	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-62.1	-14	-178	-64.9	-85	0	0	0	114.7	Y330 L334 W335	Y330-Y332 VanDerWaalsContact O-CD2 3.26Å; Y330-Y332 WeakPolarHBondContact O-CD2 3.4Å; Y330-Y332 PolarHBondContact O-N 2.74Å; Y332-L334 PolarHBondContact O-N 3.17Å; Y332-W335 AromaticContact CD1-CD1 3.4Å; Y332-W335 VanDerWaalsContact CD1-CD1 3.4Å; Y332-W335 AromaticContact CD1-NE1 3.08Å; Y332-W335 AromaticContact CE1-NE1 3.68Å; Y332-W335 AromaticContact CG-NE1 3.9Å; Y332-W335 WeakPolarHBondContact O-CB 3.35Å; Y332-W335 PolarHBondContact O-N 3.38Å
333	S	97	Very high	97.5	Very high	76 Å²	76	46.2 Å²	46.2	53%	0.531	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64.6	-27.2	174.7	69.6	0	0	0	0	112.6	N331 W335 N336	N331-S333 PolarHBondContact ND2-OG 3.48Å; N331-S333 PolarHBondContact O-N 2.97Å; N331-S333 WeakPolarHBondContact OD1-CB 3.4Å; N331-S333 PolarHBondContact OD1-N 2.75Å; N331-S333 PolarHBondContact OD1-OG 2.95Å; S333-W335 PolarHBondContact O-N 3.42Å; S333-N336 PolarHBondContact O-N 2.65Å
334	L	97.7	Very high	97.5	Very high	24 Å²	24	50.4 Å²	50.4	13%	0.126	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67	-20.7	177.5	-63.5	-179.1	0	0	0	112.8	V329 N331 Y332 N336 I337 L402 P403	V329-L334 HydrophobicContact CG1-CB 4.45Å; V329-L334 HydrophobicContact CG1-CD1 4.04Å; N331-L334 HydrophobicContact CB-CD1 4.26Å; N331-L334 HydrophobicContact CB-CG 4.33Å; N331-L334 WeakPolarHBondContact O-CB 3.18Å; N331-L334 PolarHBondContact O-N 3.03Å; N331-L334 VanDerWaalsContact O-N 3.13Å; Y332-L334 PolarHBondContact O-N 3.17Å; L334-N336 PolarHBondContact O-N 3.07Å; L334-N336 VanDerWaalsContact O-N 3.16Å; L334-I337 WeakPolarHBondContact O-CB 3.29Å; L334-I337 PolarHBondContact O-N 3.07Å; L334-L402 HydrophobicContact CD1-CB 4.48Å; L334-L402 HydrophobicContact CD1-CD1 4.41Å; L334-P403 HydrophobicContact CB-CB 4.05Å; L334-P403 HydrophobicContact CB-CG 3.96Å; L334-P403 WeakPolarHBondContact O-CB 3.18Å
335	W	97.7	Very high	97.4	Very high	9 Å²	9	50.4 Å²	50.4	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-16.8	-178.9	-65.2	141.5	0	0	0	115	D220 A224 V329 Y332 S333 I337 V338 R339 P403	D220-W335 HydrophobicContact CB-CH2 3.97Å; D220-W335 HydrophobicContact CB-CZ3 4.04Å; D220-W335 VanDerWaalsContact OD1-CH2 3.28Å; D220-W335 WeakPolarHBondContact OD1-CH2 3.4Å; A224-W335 HydrophobicContact CB-CB 3.84Å; A224-W335 HydrophobicContact CB-CD2 4.12Å; A224-W335 HydrophobicContact CB-CE3 4.01Å; A224-W335 HydrophobicContact CB-CG 4.07Å; V329-W335 HydrophobicContact CB-CH2 3.43Å; V329-W335 VanDerWaalsContact CB-CH2 3.43Å; V329-W335 HydrophobicContact CB-CZ2 3.53Å; V329-W335 HydrophobicContact CB-CZ3 4.33Å; V329-W335 HydrophobicContact CG1-CH2 3.8Å; V329-W335 HydrophobicContact CG1-CZ2 3.8Å; V329-W335 HydrophobicContact CG1-CZ3 4.33Å; V329-W335 HydrophobicContact CG2-CH2 3.65Å; V329-W335 HydrophobicContact CG2-CZ2 4.28Å; V329-W335 HydrophobicContact CG2-CZ3 4.34Å; Y332-W335 AromaticContact CD1-CD1 3.4Å; Y332-W335 VanDerWaalsContact CD1-CD1 3.4Å; Y332-W335 AromaticContact CD1-NE1 3.08Å; Y332-W335 AromaticContact CE1-NE1 3.68Å; Y332-W335 AromaticContact CG-NE1 3.9Å; Y332-W335 WeakPolarHBondContact O-CB 3.35Å; Y332-W335 PolarHBondContact O-N 3.38Å; S333-W335 PolarHBondContact O-N 3.42Å; W335-I337 PolarHBondContact O-N 3.42Å; W335-V338 HydrophobicContact CE3-CB 4.35Å; W335-V338 HydrophobicContact CE3-CG2 3.71Å; W335-V338 HydrophobicContact CZ3-CG2 4.01Å; W335-V338 PolarHBondContact O-N 2.56Å; W335-R339 WeakPolarHBondContact O-CB 3.49Å; W335-R339 PolarHBondContact O-N 3.36Å; W335-P403 HydrophobicContact CE3-CG 3.89Å; W335-P403 HydrophobicContact CZ3-CG 3.66Å
336	N	97.5	Very high	97.4	Very high	86 Å²	86	50.4 Å²	50.4	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-30.3	171	-76.1	-12	0	0	0	112	S333 L334 R339 N340	S333-N336 PolarHBondContact O-N 2.65Å; L334-N336 PolarHBondContact O-N 3.07Å; L334-N336 VanDerWaalsContact O-N 3.16Å; N336-R339 PolarHBondContact OD1-NH1 2.86Å; N336-N340 WeakPolarHBondContact O-CB 3.43Å; N336-N340 PolarHBondContact O-N 3.16Å; N336-N340 PolarHBondContact O-ND2 3.35Å; N336-N340 VanDerWaalsContact O-ND2 3.11Å
337	I	98	Very high	97.5	Very high	78 Å²	78	50 Å²	50	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-49.2	177.1	-59.9	170.7	0	0	0	109.5	L334 W335 N340 G341 P403	L334-I337 WeakPolarHBondContact O-CB 3.29Å; L334-I337 PolarHBondContact O-N 3.07Å; W335-I337 PolarHBondContact O-N 3.42Å; I337-N340 CarbonylContact O-C 3.51Å; I337-N340 PolarHBondContact O-N 3.11Å; I337-G341 PolarHBondContact O-N 2.71Å; I337-G341 VanDerWaalsContact O-N 3.14Å; I337-P403 HydrophobicContact CB-CB 3.99Å; I337-P403 HydrophobicContact CD1-CB 4.26Å; I337-P403 WeakPolarHBondContact CD1-O 3.45Å; I337-P403 HydrophobicContact CG2-CB 4.27Å
338	V	98.4	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-43.9	177.5	-176.7	0	0	0	0	111	Y144 L221 A224 W335 N340 G341 G375 T376 P403	Y144-V338 VanDerWaalsContact CE2-O 3.28Å; Y144-V338 WeakPolarHBondContact CE2-O 3.48Å; Y144-V338 PolarHBondContact OH-O 2.75Å; L221-V338 HydrophobicContact CD1-CG1 4.18Å; A224-V338 HydrophobicContact CB-CB 3.61Å; A224-V338 HydrophobicContact CB-CG1 3.61Å; A224-V338 HydrophobicContact CB-CG2 4.46Å; W335-V338 HydrophobicContact CE3-CB 4.35Å; W335-V338 HydrophobicContact CE3-CG2 3.71Å; W335-V338 HydrophobicContact CZ3-CG2 4.01Å; W335-V338 PolarHBondContact O-N 2.56Å; V338-N340 PolarHBondContact O-N 3.29Å; V338-G341 WeakPolarHBondContact O-CA 3.44Å; V338-G341 PolarHBondContact O-N 3.42Å; V338-G375 WeakPolarHBondContact CG2-O 3.39Å; V338-T376 HydrophobicContact CG1-CG2 3.62Å; V338-P403 HydrophobicContact CG2-CB 3.83Å; V338-P403 HydrophobicContact CG2-CG 3.72Å
339	R	97.7	Very high	97.7	Very high	100 Å²	100	46.8 Å²	46.8	38%	0.377	23%	0.229	S	C	.	.	H	α-helix	trans	-58.9	-32.6	179.7	-169.9	-179.4	-59.8	141.3	6.4	112.8	A224 L225 S226 W335 N336	A224-R339 PolarHBondContact O-NE 2.73Å; A224-R339 PolarHBondContact O-NH2 3.29Å; L225-R339 HydrophobicContact CD2-CG 4.28Å; S226-R339 PolarHBondContact OG-NH2 3.31Å; W335-R339 WeakPolarHBondContact O-CB 3.49Å; W335-R339 PolarHBondContact O-N 3.36Å; N336-R339 PolarHBondContact OD1-NH1 2.86Å
340	N	97.4	Very high	97.8	Very high	114 Å²	114	46.3 Å²	46.3	61%	0.61	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	9.5	177.2	-62.3	-31	0	0	0	112.8	N336 I337 V338 N344	N336-N340 WeakPolarHBondContact O-CB 3.43Å; N336-N340 PolarHBondContact O-N 3.16Å; N336-N340 PolarHBondContact O-ND2 3.35Å; N336-N340 VanDerWaalsContact O-ND2 3.11Å; I337-N340 CarbonylContact O-C 3.51Å; I337-N340 PolarHBondContact O-N 3.11Å; V338-N340 PolarHBondContact O-N 3.29Å; N340-N344 PolarHBondContact O-ND2 3.46Å
341	G	98.1	Very high	97.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.021	22%	0.216	C	C	.	.			trans	-85.2	-8.9	-171.2	0	0	0	0	0	115.3	Y144 I337 V338 K343 N344 S345	Y144-G341 WeakPolarHBondContact OH-CA 3.31Å; I337-G341 PolarHBondContact O-N 2.71Å; I337-G341 VanDerWaalsContact O-N 3.14Å; V338-G341 WeakPolarHBondContact O-CA 3.44Å; V338-G341 PolarHBondContact O-N 3.42Å; G341-K343 PolarHBondContact O-N 3.42Å; G341-N344 VanDerWaalsContact CA-OD1 3.31Å; G341-N344 WeakPolarHBondContact CA-OD1 3.45Å; G341-N344 PolarHBondContact O-N 3.15Å; G341-N344 PolarHBondContact O-OD1 2.68Å; G341-S345 WeakPolarHBondContact O-CB 3.23Å; G341-S345 PolarHBondContact O-N 2.98Å; G341-S345 PolarHBondContact O-OG 3.47Å
342	S	98.5	Very high	98	Very high	10 Å²	10	41.4 Å²	41.4	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.8	-171.3	61.4	0	0	0	0	112.5	Y144 E147 N148	Y144-S342 PolarHBondContact OH-N 2.66Å; E147-S342 PolarHBondContact OE2-OG 3.44Å; N148-S342 WeakPolarHBondContact CA-O 3.41Å; N148-S342 WeakPolarHBondContact CB-O 3.21Å; N148-S342 PolarHBondContact N-O 2.68Å; N148-S342 PolarHBondContact ND2-O 2.94Å
343	K	98.3	Very high	98.1	Very high	126 Å²	126	34.4 Å²	34.4	55%	0.548	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	15.7	-174.2	-61.9	175.2	-173.4	172.7	0	114.9	E147 Y151 G341	E147-K343 IonicContact OE1-NZ 2.67Å; E147-K343 PolarHBondContact OE1-NZ 2.91Å; E147-K343 WeakPolarHBondContact OE2-CE 3.43Å; Y151-K343 WeakPolarHBondContact CD2-O 3.42Å; Y151-K343 WeakPolarHBondContact CE2-O 3.11Å; G341-K343 PolarHBondContact O-N 3.42Å
344	N	97.8	Very high	98.2	Very high	90 Å²	90	30.8 Å²	30.8	48%	0.481	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-149.6	7.8	-178.4	62.2	28.4	0	0	0	114.3	N340 G341 N372	N340-N344 PolarHBondContact O-ND2 3.46Å; G341-N344 VanDerWaalsContact CA-OD1 3.31Å; G341-N344 WeakPolarHBondContact CA-OD1 3.45Å; G341-N344 PolarHBondContact O-N 3.15Å; G341-N344 PolarHBondContact O-OD1 2.68Å; N344-N372 PolarHBondContact O-ND2 2.75Å
345	S	98.3	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.			trans	-131.2	159.1	-175.6	68.9	0	0	0	0	113.5	N148 G341 N372	N148-S345 PolarHBondContact ND2-O 3.49Å; G341-S345 WeakPolarHBondContact O-CB 3.23Å; G341-S345 PolarHBondContact O-N 2.98Å; G341-S345 PolarHBondContact O-OG 3.47Å; S345-N372 WeakPolarHBondContact CA-O 3.21Å
346	V	98.7	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-122.6	131.3	173.6	-179.7	0	0	0	0	107.7	M152 F165 W166 V169 M350 R351 N372 S374	M152-V346 HydrophobicContact CG-CG2 4.19Å; M152-V346 HydrophobicContact SD-CB 4.45Å; M152-V346 HydrophobicContact SD-CG1 4.06Å; M152-V346 HydrophobicContact SD-CG2 4.32Å; F165-V346 HydrophobicContact CE1-CG2 4.02Å; F165-V346 HydrophobicContact CZ-CB 4.24Å; F165-V346 HydrophobicContact CZ-CG1 4.35Å; F165-V346 HydrophobicContact CZ-CG2 4.08Å; W166-V346 HydrophobicContact CH2-CG2 3.66Å; W166-V346 HydrophobicContact CZ3-CG2 3.92Å; V169-V346 HydrophobicContact CG2-CG1 4.38Å; V346-M350 HydrophobicContact CG1-CB 3.58Å; V346-M350 HydrophobicContact CG1-SD 4.44Å; V346-R351 HydrophobicContact CB-CG 3.83Å; V346-R351 HydrophobicContact CG1-CG 3.8Å; V346-R351 VanDerWaalsContact O-CD 3.28Å; V346-R351 WeakPolarHBondContact O-CD 3.49Å; V346-R351 PolarHBondContact O-NE 3.09Å; V346-N372 HydrophobicContact CB-CB 4.37Å; V346-N372 HydrophobicContact CG2-CB 3.94Å; V346-N372 PolarHBondContact N-O 3.41Å; V346-S374 WeakPolarHBondContact O-CB 3.41Å; V346-S374 PolarHBondContact O-OG 2.74Å
347	F	98.7	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.			trans	-61.5	154.3	-178.7	-70.8	-62.3	0	0	0	112.9	Y144 L145 N148 Y210 L214 D217 L221 F349 M350 R351 T376	Y144-F347 HydrophobicContact CD1-CZ 4.39Å; Y144-F347 HydrophobicContact CE1-CE1 4.34Å; Y144-F347 AromaticContact CE1-CZ 3.87Å; Y144-F347 HydrophobicContact CE1-CZ 3.87Å; L145-F347 HydrophobicContact CD2-CE2 3.89Å; L145-F347 HydrophobicContact CD2-CZ 3.75Å; N148-F347 HydrophobicContact CB-CE2 4.4Å; N148-F347 WeakPolarHBondContact OD1-CD2 3.05Å; N148-F347 WeakPolarHBondContact OD1-CE2 3.44Å; Y210-F347 WeakPolarHBondContact OH-CD2 3.37Å; L214-F347 HydrophobicContact CD2-CB 4.5Å; L214-F347 HydrophobicContact CD2-CD1 4.39Å; L214-F347 HydrophobicContact CD2-CD2 3.65Å; L214-F347 HydrophobicContact CD2-CE2 3.84Å; L214-F347 HydrophobicContact CD2-CG 3.94Å; L214-F347 HydrophobicContact CD2-CZ 4.31Å; D217-F347 HydrophobicContact CB-CD1 3.96Å; L221-F347 HydrophobicContact CD2-CE1 4.17Å; L221-F347 HydrophobicContact CD2-CZ 4.04Å; F347-F349 VanDerWaalsContact C-N 3.31Å; F347-F349 HydrophobicContact CB-CD1 3.8Å; F347-F349 HydrophobicContact CB-CE1 3.93Å; F347-F349 PolarHBondContact O-N 3.03Å; F347-M350 PolarHBondContact O-N 3.15Å; F347-M350 VanDerWaalsContact O-N 3.12Å; F347-R351 PolarHBondContact O-N 3.29Å; F347-T376 WeakPolarHBondContact CD1-OG1 3.36Å; F347-T376 HydrophobicContact CE1-CG2 4.43Å
348	T	98.6	Very high	98.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-40.2	-173	-71	0	0	0	0	112.4	D217 M350 R351 G352 F369 T376 Y377 W381 Q401	D217-T348 WeakPolarHBondContact OD1-CB 3.45Å; D217-T348 PolarHBondContact OD1-N 3.48Å; T348-M350 PolarHBondContact O-N 3.19Å; T348-R351 PolarHBondContact O-N 3.28Å; T348-R351 PolarHBondContact OG1-NH2 2.75Å; T348-G352 PolarHBondContact O-N 3.42Å; T348-F369 HydrophobicContact CG2-CE2 4.04Å; T348-F369 HydrophobicContact CG2-CZ 4.08Å; T348-T376 PolarHBondContact OG1-O 2.96Å; T348-Y377 HydrophobicContact CG2-CD1 3.88Å; T348-Y377 HydrophobicContact CG2-CG 4.21Å; T348-W381 HydrophobicContact CG2-CZ2 4.02Å; T348-Q401 PolarHBondContact OG1-NE2 3.17Å
349	F	98.2	Very high	98.5	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-34.1	179.7	87.5	-90.6	0	0	0	113.1	L176 Y210 Q213 L214 F347 M353	L176-F349 HydrophobicContact CD1-CE2 4.18Å; L176-F349 HydrophobicContact CD1-CZ 4.1Å; Y210-F349 HydrophobicContact CE2-CE1 4.28Å; Y210-F349 AromaticContact CE2-CZ 3.92Å; Y210-F349 HydrophobicContact CE2-CZ 3.92Å; Q213-F349 HydrophobicContact CB-CD1 4.3Å; Q213-F349 HydrophobicContact CB-CD2 4.13Å; Q213-F349 HydrophobicContact CB-CE1 3.9Å; Q213-F349 HydrophobicContact CB-CE2 3.73Å; Q213-F349 HydrophobicContact CB-CG 4.4Å; Q213-F349 HydrophobicContact CB-CZ 3.57Å; Q213-F349 HydrophobicContact CG-CE2 4.2Å; Q213-F349 HydrophobicContact CG-CZ 4.2Å; L214-F349 HydrophobicContact CD2-CD1 4.43Å; L214-F349 HydrophobicContact CD2-CE1 4.01Å; F347-F349 VanDerWaalsContact C-N 3.31Å; F347-F349 HydrophobicContact CB-CD1 3.8Å; F347-F349 HydrophobicContact CB-CE1 3.93Å; F347-F349 PolarHBondContact O-N 3.03Å; F349-M353 WeakPolarHBondContact O-CB 3.08Å; F349-M353 PolarHBondContact O-N 3.29Å
350	M	98.5	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-75.8	-49.3	174.9	-82.7	-172.1	-93.5	0	0	110.9	M152 V169 Q172 L173 Y210 V346 F347 T348 G352 M353 V354	M152-M350 HydrophobicContact CE-CE 3.4Å; M152-M350 HydrophobicContact CE-SD 4.42Å; M152-M350 HydrophobicContact SD-CE 3.26Å; M152-M350 WeakPolarHBondContact SD-CE 3.35Å; M152-M350 HydrophobicContact SD-SD 3.84Å; V169-M350 HydrophobicContact CG1-SD 4.44Å; Q172-M350 HydrophobicContact CG-CG 4.32Å; Q172-M350 PolarHBondContact OE1-O 3.37Å; L173-M350 HydrophobicContact CD2-SD 4.08Å; Y210-M350 HydrophobicContact CE2-CE 4.4Å; V346-M350 HydrophobicContact CG1-CB 3.58Å; V346-M350 HydrophobicContact CG1-SD 4.44Å; F347-M350 PolarHBondContact O-N 3.15Å; F347-M350 VanDerWaalsContact O-N 3.12Å; T348-M350 PolarHBondContact O-N 3.19Å; M350-G352 VanDerWaalsContact C-N 3.32Å; M350-G352 PolarHBondContact O-N 3.46Å; M350-M353 PolarHBondContact O-N 3.01Å; M350-V354 WeakPolarHBondContact O-CB 3.24Å; M350-V354 VanDerWaalsContact O-CG2 3.27Å; M350-V354 WeakPolarHBondContact O-CG2 3.18Å; M350-V354 PolarHBondContact O-N 3.18Å
351	R	98.8	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-43.1	179.9	-69.7	-173.8	-67.4	108.2	-2.3	112.4	F165 V346 F347 T348 V354 A355 F369 Y371 N373 S374 Q401	F165-R351 HydrophobicContact CE2-CG 4.19Å; F165-R351 HydrophobicContact CZ-CG 4.05Å; V346-R351 HydrophobicContact CB-CG 3.83Å; V346-R351 HydrophobicContact CG1-CG 3.8Å; V346-R351 VanDerWaalsContact O-CD 3.28Å; V346-R351 WeakPolarHBondContact O-CD 3.49Å; V346-R351 PolarHBondContact O-NE 3.09Å; F347-R351 PolarHBondContact O-N 3.29Å; T348-R351 PolarHBondContact O-N 3.28Å; T348-R351 PolarHBondContact OG1-NH2 2.75Å; R351-V354 PolarHBondContact O-N 3.24Å; R351-A355 WeakPolarHBondContact O-CB 3.39Å; R351-A355 PolarHBondContact O-N 3.18Å; R351-F369 HydrophobicContact CB-CD2 3.93Å; R351-F369 HydrophobicContact CB-CE2 4.11Å; R351-F369 WeakPolarHBondContact CD-O 3.43Å; R351-F369 PolarHBondContact NH1-O 3.35Å; R351-Y371 WeakPolarHBondContact CD-O 3.25Å; R351-N373 PolarHBondContact NH2-OD1 2.84Å; R351-S374 PolarHBondContact NH2-OG 2.81Å; R351-Q401 VanDerWaalsContact CZ-OE1 3.22Å; R351-Q401 VanDerWaalsContact NH2-CD 3.34Å
352	G	98.6	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-46	176.6	0	0	0	0	0	112.1	T348 M350 A355 N356	T348-G352 PolarHBondContact O-N 3.42Å; M350-G352 VanDerWaalsContact C-N 3.32Å; M350-G352 PolarHBondContact O-N 3.46Å; G352-A355 PolarHBondContact O-N 2.91Å; G352-N356 WeakPolarHBondContact O-CB 3.38Å; G352-N356 PolarHBondContact O-N 2.83Å; G352-N356 PolarHBondContact O-ND2 2.71Å
353	M	98.7	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-37.7	179.1	-172.1	53.3	74.7	0	0	112.7	I298 F300 T307 Y314 F349 M350 N356 R357	I298-M353 HydrophobicContact CD1-SD 3.66Å; F300-M353 HydrophobicContact CZ-CE 4.37Å; T307-M353 WeakPolarHBondContact O-CE 3.29Å; Y314-M353 HydrophobicContact CD1-CE 4.33Å; Y314-M353 HydrophobicContact CE1-CE 3.7Å; F349-M353 WeakPolarHBondContact O-CB 3.08Å; F349-M353 PolarHBondContact O-N 3.29Å; M350-M353 PolarHBondContact O-N 3.01Å; M353-N356 PolarHBondContact O-N 3.17Å; M353-N356 HydrophobicContact SD-CB 4.33Å; M353-R357 WeakPolarHBondContact O-CB 3.37Å; M353-R357 VanDerWaalsContact O-CG 3.27Å; M353-R357 WeakPolarHBondContact O-CG 3.3Å; M353-R357 PolarHBondContact O-N 2.84Å; M353-R357 HydrophobicContact SD-CG 4.48Å
354	V	98.8	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-45.7	172.4	170.6	0	0	0	0	110.9	F165 Q168 V169 M350 R351 R357 L358	F165-V354 HydrophobicContact CB-CG1 4.45Å; F165-V354 HydrophobicContact CD2-CB 4.43Å; F165-V354 HydrophobicContact CD2-CG1 3.54Å; F165-V354 HydrophobicContact CE2-CB 4.46Å; F165-V354 HydrophobicContact CE2-CG1 4.03Å; F165-V354 HydrophobicContact CG-CG1 4.14Å; Q168-V354 HydrophobicContact CB-CB 4.31Å; Q168-V354 HydrophobicContact CB-CG1 3.94Å; Q168-V354 HydrophobicContact CB-CG2 3.8Å; Q168-V354 HydrophobicContact CG-CG1 4.49Å; V169-V354 HydrophobicContact CG2-CG2 3.91Å; M350-V354 WeakPolarHBondContact O-CB 3.24Å; M350-V354 VanDerWaalsContact O-CG2 3.27Å; M350-V354 WeakPolarHBondContact O-CG2 3.18Å; M350-V354 PolarHBondContact O-N 3.18Å; R351-V354 PolarHBondContact O-N 3.24Å; V354-R357 PolarHBondContact O-N 2.69Å; V354-L358 HydrophobicContact CG1-CD1 3.67Å; V354-L358 HydrophobicContact CG1-CG 4.45Å; V354-L358 WeakPolarHBondContact O-CB 3.17Å; V354-L358 WeakPolarHBondContact O-CG 3.12Å; V354-L358 PolarHBondContact O-N 3.24Å
355	A	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.5	-43.3	176.6	0	0	0	0	0	112	R351 G352 R357 L358 A359 W365 F369	R351-A355 WeakPolarHBondContact O-CB 3.39Å; R351-A355 PolarHBondContact O-N 3.18Å; G352-A355 PolarHBondContact O-N 2.91Å; A355-R357 VanDerWaalsContact C-N 3.26Å; A355-R357 PolarHBondContact O-N 2.71Å; A355-L358 PolarHBondContact O-N 3.39Å; A355-A359 WeakPolarHBondContact O-CB 3.37Å; A355-A359 PolarHBondContact O-N 3.38Å; A355-W365 HydrophobicContact CB-CD2 3.78Å; A355-W365 HydrophobicContact CB-CG 3.9Å; A355-W365 HydrophobicContact CB-CZ2 4.02Å; A355-W365 WeakPolarHBondContact CB-O 3.49Å; A355-F369 HydrophobicContact CB-CB 4.14Å
356	N	98.9	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-37.5	175.2	-72.7	-19.5	0	0	0	112.7	I298 Y314 T316 G352 M353 W365	I298-N356 HydrophobicContact CD1-CB 3.96Å; Y314-N356 VanDerWaalsContact CD1-ND2 3.34Å; Y314-N356 WeakPolarHBondContact CD1-ND2 3.49Å; Y314-N356 WeakPolarHBondContact CD2-ND2 3.2Å; Y314-N356 VanDerWaalsContact CG-ND2 3.27Å; T316-N356 HydrophobicContact CG2-CB 4.22Å; G352-N356 WeakPolarHBondContact O-CB 3.38Å; G352-N356 PolarHBondContact O-N 2.83Å; G352-N356 PolarHBondContact O-ND2 2.71Å; M353-N356 PolarHBondContact O-N 3.17Å; M353-N356 HydrophobicContact SD-CB 4.33Å; N356-W365 PolarHBondContact OD1-NE1 3.49Å
357	R	98.7	Very high	98.6	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-71.9	-46.8	178.3	-74.3	171.9	-174.2	152.8	-0.5	111.9	I293 P294 G295 I298 M353 V354 A355	I293-R357 WeakPolarHBondContact CB-O 3.42Å; I293-R357 HydrophobicContact CD1-CB 3.65Å; I293-R357 HydrophobicContact CD1-CG 3.74Å; P294-R357 WeakPolarHBondContact CD-O 3.24Å; G295-R357 WeakPolarHBondContact CA-O 3.47Å; G295-R357 PolarHBondContact N-O 2.98Å; I298-R357 HydrophobicContact CD1-CG 4Å; M353-R357 WeakPolarHBondContact O-CB 3.37Å; M353-R357 VanDerWaalsContact O-CG 3.27Å; M353-R357 WeakPolarHBondContact O-CG 3.3Å; M353-R357 PolarHBondContact O-N 2.84Å; M353-R357 HydrophobicContact SD-CG 4.48Å; V354-R357 PolarHBondContact O-N 2.69Å; A355-R357 VanDerWaalsContact C-N 3.26Å; A355-R357 PolarHBondContact O-N 2.71Å
358	L	98.7	Very high	98.6	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-88.1	-30.9	-167.6	-68.1	174.6	0	0	0	114.9	P164 Q168 T284 I293 P294 V354 A355 Y368	P164-L358 HydrophobicContact CB-CD1 3.9Å; P164-L358 HydrophobicContact CB-CD2 3.98Å; Q168-L358 HydrophobicContact CG-CD1 3.91Å; Q168-L358 HydrophobicContact CG-CD2 3.73Å; Q168-L358 HydrophobicContact CG-CG 3.78Å; T284-L358 HydrophobicContact CG2-CD2 4.04Å; I293-L358 HydrophobicContact CG2-CD2 3.94Å; P294-L358 WeakPolarHBondContact CD-O 3.42Å; P294-L358 WeakPolarHBondContact CG-O 3.3Å; V354-L358 HydrophobicContact CG1-CD1 3.67Å; V354-L358 HydrophobicContact CG1-CG 4.45Å; V354-L358 WeakPolarHBondContact O-CB 3.17Å; V354-L358 WeakPolarHBondContact O-CG 3.12Å; V354-L358 PolarHBondContact O-N 3.24Å; A355-L358 PolarHBondContact O-N 3.39Å; L358-Y368 HydrophobicContact CB-CD1 4.46Å; L358-Y368 HydrophobicContact CB-CD2 3.69Å; L358-Y368 HydrophobicContact CB-CE1 4.3Å; L358-Y368 HydrophobicContact CB-CE2 3.48Å; L358-Y368 VanDerWaalsContact CB-CE2 3.48Å; L358-Y368 HydrophobicContact CB-CG 4.19Å; L358-Y368 HydrophobicContact CD1-CD1 3.78Å; L358-Y368 HydrophobicContact CD1-CD2 4.48Å; L358-Y368 HydrophobicContact CD1-CE1 3.71Å; L358-Y368 HydrophobicContact CD1-CE2 4.42Å; L358-Y368 HydrophobicContact CD1-CG 4.18Å
359	A	98.7	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.			trans	-78.3	139.9	-168	0	0	0	0	0	113.8	A318 L320 A355 E364 W365 Y368	A318-A359 WeakPolarHBondContact CB-O 3.44Å; L320-A359 HydrophobicContact CD1-CB 4.2Å; A355-A359 WeakPolarHBondContact O-CB 3.37Å; A355-A359 PolarHBondContact O-N 3.38Å; A359-E364 HydrophobicContact CB-CB 4.12Å; A359-W365 VanDerWaalsContact CB-CA 3.42Å; A359-W365 HydrophobicContact CB-CB 3.6Å; A359-W365 HydrophobicContact CB-CG 4.2Å; A359-Y368 HydrophobicContact CB-CD2 4.38Å
360	K	98.3	Very high	98.6	Very high	104 Å²	104	26.5 Å²	26.5	45%	0.452	12%	0.124	S	C	.	.	S	Bend	trans	-99.9	-22.8	169.2	-58.6	174.5	-178.4	171.9	0	112.6	P294 E364 K387	P294-K360 HydrophobicContact CB-CG 3.84Å; P294-K360 HydrophobicContact CG-CD 4.22Å; P294-K360 HydrophobicContact CG-CG 3.5Å; K360-E364 VanDerWaalsContact CB-OE2 3.28Å; K360-E364 WeakPolarHBondContact CB-OE2 3.22Å; K360-E364 PolarHBondContact N-OE2 3Å; K360-K387 WeakPolarHBondContact O-CE 3.31Å; K360-K387 PolarHBondContact O-NZ 3.18Å
361	T	98.5	Very high	98.6	Very high	34 Å²	34	31.1 Å²	31.1	21%	0.209	14%	0.142	C	C	.	.	S	Bend	trans	-135.9	165.9	-176.3	66.1	0	0	0	0	110.9	D363 E364 W365	T361-D363 PolarHBondContact O-N 3.39Å; T361-E364 PolarHBondContact O-N 2.87Å; T361-E364 WeakPolarHBondContact OG1-CG 3.11Å; T361-E364 PolarHBondContact OG1-N 2.88Å; T361-W365 PolarHBondContact O-N 3.26Å
362	G	98.4	Very high	98.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-40.4	175.6	0	0	0	0	0	113.9	W365 I366	G362-W365 WeakPolarHBondContact O-CB 3.35Å; G362-W365 PolarHBondContact O-N 3.38Å; G362-I366 VanDerWaalsContact O-CG1 3.3Å; G362-I366 WeakPolarHBondContact O-CG1 3.3Å; G362-I366 PolarHBondContact O-N 3.33Å; G362-I366 VanDerWaalsContact O-N 3.15Å
363	D	98	Very high	98.5	Very high	79 Å²	79	33.8 Å²	33.8	42%	0.422	16%	0.156	S	C	.	.	H	α-helix	trans	-62.9	-47.4	177.1	-72.8	-34.8	0	0	0	111.3	T361 W365 I366 E367 M397	T361-D363 PolarHBondContact O-N 3.39Å; D363-W365 VanDerWaalsContact C-N 3.3Å; D363-W365 PolarHBondContact O-N 3.49Å; D363-I366 PolarHBondContact O-N 3Å; D363-E367 WeakPolarHBondContact O-CG 3.33Å; D363-E367 PolarHBondContact O-N 3.36Å; D363-M397 WeakPolarHBondContact OD1-CE 3.22Å
364	E	98.5	Very high	98.5	Very high	71 Å²	71	34 Å²	34	33%	0.332	16%	0.157	S	C	.	.	H	α-helix	trans	-60.1	-40.2	176.5	-73.8	177.3	-171.2	0	0	112.1	A359 K360 T361 I366 E367 Y368	A359-E364 HydrophobicContact CB-CB 4.12Å; K360-E364 VanDerWaalsContact CB-OE2 3.28Å; K360-E364 WeakPolarHBondContact CB-OE2 3.22Å; K360-E364 PolarHBondContact N-OE2 3Å; T361-E364 PolarHBondContact O-N 2.87Å; T361-E364 WeakPolarHBondContact OG1-CG 3.11Å; T361-E364 PolarHBondContact OG1-N 2.88Å; E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 3Å; E364-E367 PolarHBondContact O-N 2.95Å; E364-Y368 HydrophobicContact CB-CE2 4.47Å; E364-Y368 WeakPolarHBondContact O-CD2 3.45Å; E364-Y368 PolarHBondContact O-N 3.38Å
365	W	98.8	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-45.5	177.5	-169.5	101	0	0	0	111	I322 A355 N356 A359 T361 G362 D363 Y368 F369 W381 I383	I322-W365 HydrophobicContact CG2-CZ2 3.84Å; A355-W365 HydrophobicContact CB-CD2 3.78Å; A355-W365 HydrophobicContact CB-CG 3.9Å; A355-W365 HydrophobicContact CB-CZ2 4.02Å; A355-W365 WeakPolarHBondContact CB-O 3.49Å; N356-W365 PolarHBondContact OD1-NE1 3.49Å; A359-W365 VanDerWaalsContact CB-CA 3.42Å; A359-W365 HydrophobicContact CB-CB 3.6Å; A359-W365 HydrophobicContact CB-CG 4.2Å; T361-W365 PolarHBondContact O-N 3.26Å; G362-W365 WeakPolarHBondContact O-CB 3.35Å; G362-W365 PolarHBondContact O-N 3.38Å; D363-W365 VanDerWaalsContact C-N 3.3Å; D363-W365 PolarHBondContact O-N 3.49Å; W365-Y368 PolarHBondContact O-N 3.06Å; W365-F369 HydrophobicContact CD2-CB 4.48Å; W365-F369 HydrophobicContact CE3-CB 3.79Å; W365-F369 HydrophobicContact CE3-CG 4.31Å; W365-F369 HydrophobicContact CH2-CB 3.78Å; W365-F369 HydrophobicContact CH2-CD1 4.12Å; W365-F369 AromaticContact CH2-CD2 3.42Å; W365-F369 HydrophobicContact CH2-CD2 3.42Å; W365-F369 VanDerWaalsContact CH2-CD2 3.42Å; W365-F369 HydrophobicContact CH2-CE2 4.02Å; W365-F369 AromaticContact CH2-CG 3.49Å; W365-F369 HydrophobicContact CH2-CG 3.49Å; W365-F369 VanDerWaalsContact CH2-CG 3.49Å; W365-F369 HydrophobicContact CZ2-CD2 4.15Å; W365-F369 HydrophobicContact CZ2-CG 4.45Å; W365-F369 HydrophobicContact CZ3-CB 3.39Å; W365-F369 AromaticContact CZ3-CD1 3.84Å; W365-F369 HydrophobicContact CZ3-CD1 3.84Å; W365-F369 AromaticContact CZ3-CD2 3.89Å; W365-F369 HydrophobicContact CZ3-CD2 3.89Å; W365-F369 AromaticContact CZ3-CG 3.41Å; W365-F369 HydrophobicContact CZ3-CG 3.41Å; W365-F369 VanDerWaalsContact CZ3-CG 3.41Å; W365-F369 VanDerWaalsContact O-CB 3.3Å; W365-F369 WeakPolarHBondContact O-CB 3.14Å; W365-F369 PolarHBondContact O-N 3.31Å; W365-W381 HydrophobicContact CH2-CB 4.11Å; W365-W381 AromaticContact CH2-CD2 3.31Å; W365-W381 HydrophobicContact CH2-CD2 3.31Å; W365-W381 AromaticContact CH2-CE2 3.78Å; W365-W381 AromaticContact CH2-CE3 3.48Å; W365-W381 HydrophobicContact CH2-CE3 3.48Å; W365-W381 VanDerWaalsContact CH2-CE3 3.48Å; W365-W381 AromaticContact CH2-CG 3.6Å; W365-W381 HydrophobicContact CH2-CG 3.6Å; W365-W381 HydrophobicContact CH2-CH2 4.45Å; W365-W381 HydrophobicContact CH2-CZ2 4.33Å; W365-W381 HydrophobicContact CH2-CZ3 4.06Å; W365-W381 HydrophobicContact CZ2-CD2 4.03Å; W365-W381 AromaticContact CZ2-CE3 3.7Å; W365-W381 HydrophobicContact CZ2-CE3 3.7Å; W365-W381 HydrophobicContact CZ2-CH2 4.44Å; W365-W381 AromaticContact CZ2-CZ3 3.92Å; W365-W381 HydrophobicContact CZ2-CZ3 3.92Å; W365-W381 HydrophobicContact CZ3-CB 3.96Å; W365-W381 HydrophobicContact CZ3-CD2 4.07Å; W365-W381 HydrophobicContact CZ3-CE3 4.42Å; W365-W381 AromaticContact CZ3-CG 3.86Å; W365-W381 HydrophobicContact CZ3-CG 3.86Å; W365-I383 HydrophobicContact CB-CG1 4.29Å; W365-I383 HydrophobicContact CB-CG2 4.19Å; W365-I383 HydrophobicContact CD2-CD1 4.26Å; W365-I383 HydrophobicContact CD2-CG1 3.69Å; W365-I383 HydrophobicContact CE3-CD1 3.65Å; W365-I383 HydrophobicContact CE3-CG1 3.61Å; W365-I383 HydrophobicContact CG-CG1 3.97Å; W365-I383 HydrophobicContact CG-CG2 4.3Å; W365-I383 HydrophobicContact CZ3-CD1 4.01Å; W365-I383 HydrophobicContact CZ3-CG1 4.28Å
366	I	98.8	Very high	98.4	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-40.2	-180	-66	171.5	0	0	0	111.1	G362 D363 E364 Y368 F369 K370 I383 M397 A399	G362-I366 VanDerWaalsContact O-CG1 3.3Å; G362-I366 WeakPolarHBondContact O-CG1 3.3Å; G362-I366 PolarHBondContact O-N 3.33Å; G362-I366 VanDerWaalsContact O-N 3.15Å; D363-I366 PolarHBondContact O-N 3Å; E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 3Å; I366-Y368 PolarHBondContact O-N 3.46Å; I366-F369 PolarHBondContact O-N 3Å; I366-K370 WeakPolarHBondContact O-CB 3.4Å; I366-K370 WeakPolarHBondContact O-CG 3.33Å; I366-K370 PolarHBondContact O-N 3.24Å; I366-I383 HydrophobicContact CD1-CD1 4.21Å; I366-I383 HydrophobicContact CG1-CD1 3.97Å; I366-M397 HydrophobicContact CD1-CB 3.75Å; I366-M397 HydrophobicContact CD1-CE 4.06Å; I366-A399 HydrophobicContact CB-CB 4.5Å; I366-A399 HydrophobicContact CD1-CB 3.92Å; I366-A399 HydrophobicContact CG1-CB 3.76Å; I366-A399 HydrophobicContact CG2-CB 4.06Å
367	E	98.5	Very high	98.4	Very high	102 Å²	102	34.1 Å²	34.1	48%	0.477	16%	0.158	S	C	.	.	H	α-helix	trans	-62	-41.3	176.8	-70.5	-59.1	117.7	0	0	112.5	D363 E364 K370	D363-E367 WeakPolarHBondContact O-CG 3.33Å; D363-E367 PolarHBondContact O-N 3.36Å; E364-E367 PolarHBondContact O-N 2.95Å; E367-K370 VanDerWaalsContact CD-CE 3.47Å; E367-K370 WeakPolarHBondContact O-CG 3.29Å; E367-K370 WeakPolarHBondContact OE1-CE 3.44Å; E367-K370 IonicContact OE1-NZ 2.68Å; E367-K370 PolarHBondContact OE1-NZ 2.81Å; E367-K370 WeakPolarHBondContact OE2-CE 3.47Å; E367-K370 IonicContact OE2-NZ 3.07Å; E367-K370 PolarHBondContact OE2-NZ 3.01Å
368	Y	98.6	Very high	98.4	Very high	64 Å²	64	34 Å²	34	25%	0.251	16%	0.157	S	C	.	.	H	α-helix	trans	-70.3	-41.6	173.8	-70.7	-58.2	0	0	0	112.1	L358 A359 E364 W365 I366 K370 Y371	L358-Y368 HydrophobicContact CB-CD1 4.46Å; L358-Y368 HydrophobicContact CB-CD2 3.69Å; L358-Y368 HydrophobicContact CB-CE1 4.3Å; L358-Y368 HydrophobicContact CB-CE2 3.48Å; L358-Y368 VanDerWaalsContact CB-CE2 3.48Å; L358-Y368 HydrophobicContact CB-CG 4.19Å; L358-Y368 HydrophobicContact CD1-CD1 3.78Å; L358-Y368 HydrophobicContact CD1-CD2 4.48Å; L358-Y368 HydrophobicContact CD1-CE1 3.71Å; L358-Y368 HydrophobicContact CD1-CE2 4.42Å; L358-Y368 HydrophobicContact CD1-CG 4.18Å; A359-Y368 HydrophobicContact CB-CD2 4.38Å; E364-Y368 HydrophobicContact CB-CE2 4.47Å; E364-Y368 WeakPolarHBondContact O-CD2 3.45Å; E364-Y368 PolarHBondContact O-N 3.38Å; W365-Y368 PolarHBondContact O-N 3.06Å; I366-Y368 PolarHBondContact O-N 3.46Å; Y368-K370 PolarHBondContact O-N 2.75Å; Y368-Y371 WeakPolarHBondContact O-CB 3.39Å; Y368-Y371 PolarHBondContact O-N 3.34Å
369	F	98.8	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-37.5	-176.7	-179.4	-102.2	0	0	0	113	T348 R351 A355 W365 I366 Y371 W381 Q401 V406	T348-F369 HydrophobicContact CG2-CE2 4.04Å; T348-F369 HydrophobicContact CG2-CZ 4.08Å; R351-F369 HydrophobicContact CB-CD2 3.93Å; R351-F369 HydrophobicContact CB-CE2 4.11Å; R351-F369 WeakPolarHBondContact CD-O 3.43Å; R351-F369 PolarHBondContact NH1-O 3.35Å; A355-F369 HydrophobicContact CB-CB 4.14Å; W365-F369 HydrophobicContact CD2-CB 4.48Å; W365-F369 HydrophobicContact CE3-CB 3.79Å; W365-F369 HydrophobicContact CE3-CG 4.31Å; W365-F369 HydrophobicContact CH2-CB 3.78Å; W365-F369 HydrophobicContact CH2-CD1 4.12Å; W365-F369 AromaticContact CH2-CD2 3.42Å; W365-F369 HydrophobicContact CH2-CD2 3.42Å; W365-F369 VanDerWaalsContact CH2-CD2 3.42Å; W365-F369 HydrophobicContact CH2-CE2 4.02Å; W365-F369 AromaticContact CH2-CG 3.49Å; W365-F369 HydrophobicContact CH2-CG 3.49Å; W365-F369 VanDerWaalsContact CH2-CG 3.49Å; W365-F369 HydrophobicContact CZ2-CD2 4.15Å; W365-F369 HydrophobicContact CZ2-CG 4.45Å; W365-F369 HydrophobicContact CZ3-CB 3.39Å; W365-F369 AromaticContact CZ3-CD1 3.84Å; W365-F369 HydrophobicContact CZ3-CD1 3.84Å; W365-F369 AromaticContact CZ3-CD2 3.89Å; W365-F369 HydrophobicContact CZ3-CD2 3.89Å; W365-F369 AromaticContact CZ3-CG 3.41Å; W365-F369 HydrophobicContact CZ3-CG 3.41Å; W365-F369 VanDerWaalsContact CZ3-CG 3.41Å; W365-F369 VanDerWaalsContact O-CB 3.3Å; W365-F369 WeakPolarHBondContact O-CB 3.14Å; W365-F369 PolarHBondContact O-N 3.31Å; I366-F369 PolarHBondContact O-N 3Å; F369-Y371 PolarHBondContact O-N 2.85Å; F369-W381 AromaticContact CE1-CD1 3.66Å; F369-W381 AromaticContact CE1-NE1 3.52Å; F369-W381 AromaticContact CE2-CE2 3.84Å; F369-W381 AromaticContact CE2-CZ2 3.97Å; F369-W381 HydrophobicContact CE2-CZ2 3.97Å; F369-W381 AromaticContact CE2-NE1 3.61Å; F369-W381 AromaticContact CZ-CD1 3.72Å; F369-W381 AromaticContact CZ-CE2 3.79Å; F369-W381 HydrophobicContact CZ-CZ2 4.25Å; F369-W381 AromaticContact CZ-NE1 3.06Å; F369-Q401 HydrophobicContact CE1-CB 4.34Å; F369-V406 HydrophobicContact CD1-CG1 4.49Å
370	K	98.2	Very high	98.4	Very high	86 Å²	86	33.7 Å²	33.7	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-71.5	-19.8	-178.7	74.1	-177.5	-171.7	-172.2	0	113.7	I366 E367 Y368 N372 N373 V406	I366-K370 WeakPolarHBondContact O-CB 3.4Å; I366-K370 WeakPolarHBondContact O-CG 3.33Å; I366-K370 PolarHBondContact O-N 3.24Å; E367-K370 VanDerWaalsContact CD-CE 3.47Å; E367-K370 WeakPolarHBondContact O-CG 3.29Å; E367-K370 WeakPolarHBondContact OE1-CE 3.44Å; E367-K370 IonicContact OE1-NZ 2.68Å; E367-K370 PolarHBondContact OE1-NZ 2.81Å; E367-K370 WeakPolarHBondContact OE2-CE 3.47Å; E367-K370 IonicContact OE2-NZ 3.07Å; E367-K370 PolarHBondContact OE2-NZ 3.01Å; Y368-K370 PolarHBondContact O-N 2.75Å; K370-N372 PolarHBondContact O-N 3.08Å; K370-N373 PolarHBondContact O-N 3.19Å; K370-V406 HydrophobicContact CB-CB 3.77Å; K370-V406 HydrophobicContact CB-CG1 4.08Å; K370-V406 HydrophobicContact CB-CG2 3.94Å
371	Y	97.6	Very high	98.4	Very high	97 Å²	97	28.8 Å²	28.8	38%	0.38	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	129.7	-177.7	-166.6	-109.2	0	0	0	110.3	F165 W166 R351 Y368 F369 N373	F165-Y371 HydrophobicContact CB-CD1 4.2Å; F165-Y371 HydrophobicContact CB-CE1 4.46Å; F165-Y371 AromaticContact CD1-CD1 3.38Å; F165-Y371 HydrophobicContact CD1-CD1 3.38Å; F165-Y371 AromaticContact CD1-CE1 3.63Å; F165-Y371 HydrophobicContact CD1-CE1 3.63Å; F165-Y371 AromaticContact CD2-CD1 3.84Å; F165-Y371 HydrophobicContact CD2-CD1 3.84Å; F165-Y371 HydrophobicContact CD2-CG 4.46Å; F165-Y371 AromaticContact CE1-CD1 3.55Å; F165-Y371 HydrophobicContact CE1-CD1 3.55Å; F165-Y371 HydrophobicContact CE1-CE1 4Å; F165-Y371 AromaticContact CE2-CD1 3.99Å; F165-Y371 HydrophobicContact CE2-CD1 3.99Å; F165-Y371 AromaticContact CG-CD1 3.54Å; F165-Y371 HydrophobicContact CG-CD1 3.54Å; F165-Y371 HydrophobicContact CG-CE1 4.06Å; F165-Y371 HydrophobicContact CG-CG 4.48Å; F165-Y371 AromaticContact CZ-CD1 3.86Å; F165-Y371 HydrophobicContact CZ-CD1 3.86Å; W166-Y371 HydrophobicContact CZ2-CE1 4.44Å; W166-Y371 AromaticContact NE1-CE1 3.62Å; R351-Y371 WeakPolarHBondContact CD-O 3.25Å; Y368-Y371 WeakPolarHBondContact O-CB 3.39Å; Y368-Y371 PolarHBondContact O-N 3.34Å; F369-Y371 PolarHBondContact O-N 2.85Å; Y371-N373 VanDerWaalsContact C-N 3.26Å; Y371-N373 PolarHBondContact O-N 2.74Å
372	N	97.7	Very high	98.4	Very high	32 Å²	32	27.2 Å²	27.2	17%	0.171	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	39.6	-176.8	-72.4	76.8	0	0	0	114.8	Y151 N344 S345 V346 K370 S374	Y151-N372 PolarHBondContact OH-ND2 2.81Å; N344-N372 PolarHBondContact O-ND2 2.75Å; S345-N372 WeakPolarHBondContact CA-O 3.21Å; V346-N372 HydrophobicContact CB-CB 4.37Å; V346-N372 HydrophobicContact CG2-CB 3.94Å; V346-N372 PolarHBondContact N-O 3.41Å; K370-N372 PolarHBondContact O-N 3.08Å; N372-S374 PolarHBondContact O-N 2.85Å
373	N	98.6	Very high	98.4	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-47.3	124.1	176.2	175.2	22.5	0	0	0	112.8	R351 K370 Y371 G375 Q401 L402 I405 V406	R351-N373 PolarHBondContact NH2-OD1 2.84Å; K370-N373 PolarHBondContact O-N 3.19Å; Y371-N373 VanDerWaalsContact C-N 3.26Å; Y371-N373 PolarHBondContact O-N 2.74Å; N373-G375 PolarHBondContact OD1-N 2.85Å; N373-Q401 VanDerWaalsContact OD1-CG 3.29Å; N373-Q401 WeakPolarHBondContact OD1-CG 2.99Å; N373-Q401 PolarHBondContact OD1-NE2 2.72Å; N373-Q401 PolarHBondContact OD1-OE1 3.34Å; N373-L402 PolarHBondContact ND2-O 2.52Å; N373-I405 PolarHBondContact ND2-N 3.38Å; N373-I405 PolarHBondContact ND2-O 3.49Å; N373-V406 HydrophobicContact CB-CG2 4.23Å
374	S	98.6	Very high	98.5	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.021	10%	0.104	C	C	.	.			trans	-82.2	-20.3	178.4	56.6	0	0	0	0	114.9	V346 R351 N372 T376	V346-S374 WeakPolarHBondContact O-CB 3.41Å; V346-S374 PolarHBondContact O-OG 2.74Å; R351-S374 PolarHBondContact NH2-OG 2.81Å; N372-S374 PolarHBondContact O-N 2.85Å; S374-T376 VanDerWaalsContact CB-OG1 3.31Å; S374-T376 WeakPolarHBondContact CB-OG1 3.37Å; S374-T376 PolarHBondContact O-N 3.42Å; S374-T376 PolarHBondContact OG-N 3.23Å; S374-T376 PolarHBondContact OG-OG1 3.05Å
375	G	98.2	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	67.1	20.4	-171	0	0	0	0	0	114.1	V338 N373 N378 P403	V338-G375 WeakPolarHBondContact CG2-O 3.39Å; N373-G375 PolarHBondContact OD1-N 2.85Å; G375-N378 VanDerWaalsContact C-OD1 3.3Å; G375-N378 PolarHBondContact O-ND2 3.27Å; G375-N378 PolarHBondContact O-OD1 3.36Å; G375-P403 VanDerWaalsContact CA-CA 3.47Å; G375-P403 WeakPolarHBondContact O-CG 3.37Å
376	T	98.2	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.			trans	-117.1	149.8	176.8	52.7	0	0	0	0	109.3	D217 D220 L221 V338 F347 T348 S374 Q401	D217-T376 VanDerWaalsContact OD1-CB 3.26Å; D217-T376 WeakPolarHBondContact OD1-CB 3.47Å; D217-T376 PolarHBondContact OD1-OG1 3.13Å; D220-T376 HydrophobicContact CB-CG2 4.09Å; L221-T376 HydrophobicContact CB-CG2 4.35Å; V338-T376 HydrophobicContact CG1-CG2 3.62Å; F347-T376 WeakPolarHBondContact CD1-OG1 3.36Å; F347-T376 HydrophobicContact CE1-CG2 4.43Å; T348-T376 PolarHBondContact OG1-O 2.96Å; S374-T376 VanDerWaalsContact CB-OG1 3.31Å; S374-T376 WeakPolarHBondContact CB-OG1 3.37Å; S374-T376 PolarHBondContact O-N 3.42Å; S374-T376 PolarHBondContact OG-N 3.23Å; S374-T376 PolarHBondContact OG-OG1 3.05Å; T376-Q401 PolarHBondContact O-NE2 3.35Å
377	Y	97.8	Very high	98.3	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.016	11%	0.112	C	C	.	.	S	Bend	trans	52	61.7	-172.1	-157.4	-171.6	0	0	0	111.6	G216 D220 P245 V310 E324 T326 T348 N379	G216-Y377 VanDerWaalsContact C-CG 3.43Å; G216-Y377 WeakPolarHBondContact O-CB 3.44Å; D220-Y377 WeakPolarHBondContact OD2-CA 3.48Å; D220-Y377 PolarHBondContact OD2-N 3.45Å; P245-Y377 HydrophobicContact CB-CE2 3.96Å; P245-Y377 HydrophobicContact CG-CD2 4.44Å; P245-Y377 HydrophobicContact CG-CE2 4.17Å; V310-Y377 PolarHBondContact O-OH 3.05Å; E324-Y377 PolarHBondContact OE1-OH 2.71Å; T326-Y377 HydrophobicContact CG2-CD2 4.14Å; T326-Y377 HydrophobicContact CG2-CE2 4.28Å; T326-Y377 WeakPolarHBondContact OG1-CE2 3.32Å; T348-Y377 HydrophobicContact CG2-CD1 3.88Å; T348-Y377 HydrophobicContact CG2-CG 4.21Å; Y377-N379 WeakPolarHBondContact CD2-OD1 3.44Å; Y377-N379 WeakPolarHBondContact CE2-OD1 3.34Å; Y377-N379 VanDerWaalsContact O-CG 3.27Å; Y377-N379 PolarHBondContact O-N 3.31Å; Y377-N379 PolarHBondContact O-ND2 3.05Å; Y377-N379 PolarHBondContact O-OD1 3.09Å
378	N	98.2	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.			trans	-78.1	106	-169.3	-66.9	-69.6	0	0	0	111.1	D220 N327 V329 G375 Q401 L402	D220-N378 PolarHBondContact OD2-N 3.26Å; D220-N378 PolarHBondContact OD2-ND2 3.43Å; N327-N378 CarbonylContact C-O 3.56Å; N327-N378 WeakPolarHBondContact CA-O 3.4Å; N327-N378 WeakPolarHBondContact CB-O 3.42Å; N327-N378 PolarHBondContact N-O 2.83Å; V329-N378 HydrophobicContact CG2-CB 3.99Å; V329-N378 WeakPolarHBondContact CG2-ND2 3.48Å; G375-N378 VanDerWaalsContact C-OD1 3.3Å; G375-N378 PolarHBondContact O-ND2 3.27Å; G375-N378 PolarHBondContact O-OD1 3.36Å; N378-Q401 WeakPolarHBondContact CB-O 3.34Å; N378-Q401 PolarHBondContact OD1-NE2 2.72Å; N378-L402 VanDerWaalsContact OD1-CA 3.27Å; N378-L402 WeakPolarHBondContact OD1-CA 3.02Å
379	N	98.5	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	160.1	-167.7	-58.4	-19.9	0	0	0	113	E324 T326 Y377 E400 Q401	E324-N379 HydrophobicContact CB-CB 3.98Å; E324-N379 VanDerWaalsContact CD-ND2 3.3Å; E324-N379 HydrophobicContact CG-CB 4.25Å; E324-N379 WeakPolarHBondContact OE2-CB 3.15Å; E324-N379 PolarHBondContact OE2-ND2 2.84Å; E324-N379 PolarHBondContact OE2-OD1 2.77Å; T326-N379 WeakPolarHBondContact CA-OD1 3.46Å; T326-N379 WeakPolarHBondContact CB-OD1 3.19Å; T326-N379 WeakPolarHBondContact CG2-OD1 3.41Å; T326-N379 PolarHBondContact OG1-OD1 2.85Å; Y377-N379 WeakPolarHBondContact CD2-OD1 3.44Å; Y377-N379 WeakPolarHBondContact CE2-OD1 3.34Å; Y377-N379 VanDerWaalsContact O-CG 3.27Å; Y377-N379 PolarHBondContact O-N 3.31Å; Y377-N379 PolarHBondContact O-ND2 3.05Å; Y377-N379 PolarHBondContact O-OD1 3.09Å; N379-E400 WeakPolarHBondContact O-CA 3.33Å; N379-Q401 PolarHBondContact O-N 2.89Å; N379-Q401 VanDerWaalsContact O-N 3.09Å
380	Q	98.8	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.1	153.7	179.1	-172.4	97.9	0	0	108.3	E324 T325 A399 E400 S423	E324-Q380 CarbonylContact C-O 3.57Å; E324-Q380 WeakPolarHBondContact CA-O 3.49Å; E324-Q380 WeakPolarHBondContact CB-O 3.49Å; T325-Q380 PolarHBondContact N-O 3.31Å; T325-Q380 PolarHBondContact O-N 2.64Å; Q380-A399 CarbonylContact C-O 3.45Å; Q380-A399 WeakPolarHBondContact CA-O 3.43Å; Q380-E400 HydrophobicContact CB-CG 3.9Å; Q380-E400 HydrophobicContact CG-CG 3.82Å; Q380-E400 PolarHBondContact NE2-OE1 2.79Å; Q380-S423 VanDerWaalsContact OE1-CB 3.26Å; Q380-S423 PolarHBondContact OE1-OG 3.15Å
381	W	98.9	Very high	97.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.6	170.7	-68.6	89.8	0	0	0	110.8	D312 Y314 I322 T323 E324 T348 W365 F369 I383 I398 A399	D312-W381 HydrophobicContact CB-CH2 3.97Å; D312-W381 HydrophobicContact CB-CZ3 4Å; D312-W381 VanDerWaalsContact OD2-CH2 3.26Å; D312-W381 WeakPolarHBondContact OD2-CH2 3.48Å; Y314-W381 HydrophobicContact CE2-CH2 4.31Å; Y314-W381 HydrophobicContact CE2-CZ3 4.15Å; I322-W381 HydrophobicContact CG2-CE3 3.53Å; I322-W381 HydrophobicContact CG2-CZ3 3.71Å; T323-W381 CarbonylContact O-C 3.56Å; T323-W381 WeakPolarHBondContact O-CA 3.38Å; E324-W381 HydrophobicContact CB-CD2 3.83Å; E324-W381 HydrophobicContact CB-CE3 3.84Å; E324-W381 HydrophobicContact CB-CG 4.27Å; E324-W381 HydrophobicContact CB-CZ3 4.21Å; E324-W381 HydrophobicContact CG-CD2 4.49Å; E324-W381 HydrophobicContact CG-CE3 4.38Å; E324-W381 HydrophobicContact CG-CH2 4.23Å; E324-W381 HydrophobicContact CG-CZ2 4.34Å; E324-W381 HydrophobicContact CG-CZ3 4.25Å; T348-W381 HydrophobicContact CG2-CZ2 4.02Å; W365-W381 HydrophobicContact CH2-CB 4.11Å; W365-W381 AromaticContact CH2-CD2 3.31Å; W365-W381 HydrophobicContact CH2-CD2 3.31Å; W365-W381 AromaticContact CH2-CE2 3.78Å; W365-W381 AromaticContact CH2-CE3 3.48Å; W365-W381 HydrophobicContact CH2-CE3 3.48Å; W365-W381 VanDerWaalsContact CH2-CE3 3.48Å; W365-W381 AromaticContact CH2-CG 3.6Å; W365-W381 HydrophobicContact CH2-CG 3.6Å; W365-W381 HydrophobicContact CH2-CH2 4.45Å; W365-W381 HydrophobicContact CH2-CZ2 4.33Å; W365-W381 HydrophobicContact CH2-CZ3 4.06Å; W365-W381 HydrophobicContact CZ2-CD2 4.03Å; W365-W381 AromaticContact CZ2-CE3 3.7Å; W365-W381 HydrophobicContact CZ2-CE3 3.7Å; W365-W381 HydrophobicContact CZ2-CH2 4.44Å; W365-W381 AromaticContact CZ2-CZ3 3.92Å; W365-W381 HydrophobicContact CZ2-CZ3 3.92Å; W365-W381 HydrophobicContact CZ3-CB 3.96Å; W365-W381 HydrophobicContact CZ3-CD2 4.07Å; W365-W381 HydrophobicContact CZ3-CE3 4.42Å; W365-W381 AromaticContact CZ3-CG 3.86Å; W365-W381 HydrophobicContact CZ3-CG 3.86Å; F369-W381 AromaticContact CE1-CD1 3.66Å; F369-W381 AromaticContact CE1-NE1 3.52Å; F369-W381 AromaticContact CE2-CE2 3.84Å; F369-W381 AromaticContact CE2-CZ2 3.97Å; F369-W381 HydrophobicContact CE2-CZ2 3.97Å; F369-W381 AromaticContact CE2-NE1 3.61Å; F369-W381 AromaticContact CZ-CD1 3.72Å; F369-W381 AromaticContact CZ-CE2 3.79Å; F369-W381 HydrophobicContact CZ-CZ2 4.25Å; F369-W381 AromaticContact CZ-NE1 3.06Å; W381-I383 HydrophobicContact CB-CD1 3.91Å; W381-I398 CarbonylContact O-C 3.45Å; W381-I398 WeakPolarHBondContact O-CA 3.47Å; W381-I398 WeakPolarHBondContact O-CB 3.48Å; W381-A399 HydrophobicContact CB-CB 4.47Å; W381-A399 PolarHBondContact N-O 3.28Å; W381-A399 PolarHBondContact O-N 2.87Å
382	M	98.9	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.5	172.8	-67.9	151.1	-77.7	0	0	107.7	A249 I251 I322 T323 T325 L396 I398 S423	A249-M382 HydrophobicContact CB-CE 3.8Å; A249-M382 HydrophobicContact CB-SD 3.98Å; I251-M382 HydrophobicContact CD1-CB 4.28Å; I322-M382 WeakPolarHBondContact CA-O 3.48Å; T323-M382 HydrophobicContact CG2-CB 4.15Å; T323-M382 HydrophobicContact CG2-CE 3.85Å; T323-M382 HydrophobicContact CG2-SD 4.33Å; T323-M382 PolarHBondContact N-O 3.35Å; T323-M382 PolarHBondContact O-N 3.23Å; T325-M382 HydrophobicContact CG2-CE 4.26Å; M382-L396 HydrophobicContact CB-CD1 4.22Å; M382-I398 HydrophobicContact CG-CG2 4.01Å; M382-S423 VanDerWaalsContact SD-CB 3.56Å
383	I	98.9	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	101.5	-177.8	-52	83.2	0	0	0	107.5	L320 I322 W365 I366 W381 M397	L320-I383 HydrophobicContact CD1-CG2 4.34Å; I322-I383 HydrophobicContact CG1-CG2 4.07Å; I322-I383 HydrophobicContact CG2-CG1 4.34Å; W365-I383 HydrophobicContact CB-CG1 4.29Å; W365-I383 HydrophobicContact CB-CG2 4.19Å; W365-I383 HydrophobicContact CD2-CD1 4.26Å; W365-I383 HydrophobicContact CD2-CG1 3.69Å; W365-I383 HydrophobicContact CE3-CD1 3.65Å; W365-I383 HydrophobicContact CE3-CG1 3.61Å; W365-I383 HydrophobicContact CG-CG1 3.97Å; W365-I383 HydrophobicContact CG-CG2 4.3Å; W365-I383 HydrophobicContact CZ3-CD1 4.01Å; W365-I383 HydrophobicContact CZ3-CG1 4.28Å; I366-I383 HydrophobicContact CD1-CD1 4.21Å; I366-I383 HydrophobicContact CG1-CD1 3.97Å; W381-I383 HydrophobicContact CB-CD1 3.91Å; I383-M397 HydrophobicContact CB-CB 4.44Å; I383-M397 PolarHBondContact N-O 3.07Å; I383-M397 PolarHBondContact O-N 3.15Å
384	F	98.8	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.3	177.6	-173.5	-94.6	0	0	0	110.4	I251 V258 L260 L320 T321 A386 W389 S395 L396 L415 L535	I251-F384 HydrophobicContact CG2-CD2 4.47Å; V258-F384 HydrophobicContact CB-CZ 3.97Å; V258-F384 HydrophobicContact CG1-CE2 3.97Å; V258-F384 HydrophobicContact CG1-CZ 3.88Å; V258-F384 HydrophobicContact CG2-CE2 4.46Å; V258-F384 HydrophobicContact CG2-CZ 3.94Å; L260-F384 HydrophobicContact CD1-CD1 4.1Å; L260-F384 HydrophobicContact CD1-CE1 4.33Å; L260-F384 HydrophobicContact CD2-CB 3.35Å; L260-F384 HydrophobicContact CD2-CD1 3.84Å; L260-F384 HydrophobicContact CD2-CD2 4.12Å; L260-F384 HydrophobicContact CD2-CG 3.51Å; L320-F384 WeakPolarHBondContact CA-O 3.4Å; T321-F384 PolarHBondContact N-O 3.34Å; T321-F384 PolarHBondContact O-N 3.49Å; F384-A386 HydrophobicContact CE1-CB 4.21Å; F384-W389 HydrophobicContact CE1-CB 4.39Å; F384-W389 HydrophobicContact CE2-CD2 4.35Å; F384-W389 HydrophobicContact CE2-CE3 4.07Å; F384-W389 HydrophobicContact CZ-CB 3.8Å; F384-W389 HydrophobicContact CZ-CD2 4.03Å; F384-W389 HydrophobicContact CZ-CE3 4.2Å; F384-W389 AromaticContact CZ-CG 3.86Å; F384-W389 HydrophobicContact CZ-CG 3.86Å; F384-S395 CarbonylContact C-O 3.59Å; F384-S395 VanDerWaalsContact CA-O 3.27Å; F384-S395 WeakPolarHBondContact CA-O 3.45Å; F384-S395 WeakPolarHBondContact CD2-O 3.3Å; F384-L396 HydrophobicContact CB-CD1 4.18Å; F384-L396 HydrophobicContact CD2-CB 4.22Å; F384-L396 HydrophobicContact CD2-CD1 4.34Å; F384-L415 HydrophobicContact CD2-CD2 4.49Å; F384-L415 HydrophobicContact CE2-CD2 4.07Å; F384-L535 HydrophobicContact CE1-CD2 3.62Å; F384-L535 HydrophobicContact CZ-CD2 4.07Å
385	D	98.4	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	100.9	177.1	-171.1	-19.6	0	0	0	110.3	L320 K387 Q388 W389 S395	L320-D385 HydrophobicContact CD2-CB 3.64Å; D385-K387 PolarHBondContact O-N 3.21Å; D385-K387 WeakPolarHBondContact OD1-CA 3.48Å; D385-K387 WeakPolarHBondContact OD1-CB 3.47Å; D385-K387 WeakPolarHBondContact OD1-CG 3.31Å; D385-K387 PolarHBondContact OD1-N 3.16Å; D385-K387 IonicContact OD1-NZ 2.86Å; D385-K387 PolarHBondContact OD1-NZ 3.34Å; D385-K387 IonicContact OD2-NZ 2.72Å; D385-K387 PolarHBondContact OD2-NZ 2.88Å; D385-K387 VanDerWaalsContact OD2-NZ 3.07Å; D385-Q388 HydrophobicContact CB-CB 4.09Å; D385-Q388 HydrophobicContact CB-CG 3.89Å; D385-Q388 VanDerWaalsContact CG-CG 3.42Å; D385-Q388 PolarHBondContact O-N 3.48Å; D385-Q388 PolarHBondContact OD1-N 2.97Å; D385-Q388 VanDerWaalsContact OD2-CG 3.29Å; D385-Q388 WeakPolarHBondContact OD2-CG 3.49Å; D385-W389 PolarHBondContact O-N 3.49Å; D385-S395 PolarHBondContact N-O 3.12Å
386	A	97.3	Very high	96.7	Very high	17 Å²	17	34.8 Å²	34.8	14%	0.14	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.3	-179.5	0	0	0	0	0	112.8	N319 F384 Q388 L535 T538	N319-A386 HydrophobicContact CB-CB 4.46Å; N319-A386 PolarHBondContact O-N 3.03Å; N319-A386 VanDerWaalsContact O-N 3.17Å; F384-A386 HydrophobicContact CE1-CB 4.21Å; A386-Q388 VanDerWaalsContact C-N 3.28Å; A386-Q388 PolarHBondContact O-N 3.11Å; A386-L535 HydrophobicContact CB-CD2 4.04Å; A386-T538 HydrophobicContact CB-CG2 4.17Å
387	K	96.6	Very high	96.7	Very high	88 Å²	88	35 Å²	35	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.3	177	-48.5	178.7	-59.3	-57.8	0	111.9	A318 N319 K360 D385	A318-K387 WeakPolarHBondContact O-CE 3.41Å; A318-K387 PolarHBondContact O-NZ 2.87Å; N319-K387 HydrophobicContact CB-CD 4.19Å; N319-K387 HydrophobicContact CB-CG 3.76Å; K360-K387 WeakPolarHBondContact O-CE 3.31Å; K360-K387 PolarHBondContact O-NZ 3.18Å; D385-K387 PolarHBondContact O-N 3.21Å; D385-K387 WeakPolarHBondContact OD1-CA 3.48Å; D385-K387 WeakPolarHBondContact OD1-CB 3.47Å; D385-K387 WeakPolarHBondContact OD1-CG 3.31Å; D385-K387 PolarHBondContact OD1-N 3.16Å; D385-K387 IonicContact OD1-NZ 2.86Å; D385-K387 PolarHBondContact OD1-NZ 3.34Å; D385-K387 IonicContact OD2-NZ 2.72Å; D385-K387 PolarHBondContact OD2-NZ 2.88Å; D385-K387 VanDerWaalsContact OD2-NZ 3.07Å
388	Q	96.2	Very high	96.8	Very high	43 Å²	43	34.8 Å²	34.8	20%	0.201	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-11.1	-178.4	-60.2	-78.7	24.9	0	0	111.8	D385 A386 R391 S395	D385-Q388 HydrophobicContact CB-CB 4.09Å; D385-Q388 HydrophobicContact CB-CG 3.89Å; D385-Q388 VanDerWaalsContact CG-CG 3.42Å; D385-Q388 PolarHBondContact O-N 3.48Å; D385-Q388 PolarHBondContact OD1-N 2.97Å; D385-Q388 VanDerWaalsContact OD2-CG 3.29Å; D385-Q388 WeakPolarHBondContact OD2-CG 3.49Å; A386-Q388 VanDerWaalsContact C-N 3.28Å; A386-Q388 PolarHBondContact O-N 3.11Å; Q388-R391 WeakPolarHBondContact O-CA 3.26Å; Q388-R391 WeakPolarHBondContact O-CB 3.36Å; Q388-R391 WeakPolarHBondContact O-CG 3.16Å; Q388-R391 PolarHBondContact O-N 2.86Å; Q388-S395 PolarHBondContact O-OG 2.72Å
389	W	95.1	Very high	96.8	Very high	39 Å²	39	34.8 Å²	34.8	15%	0.148	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	139.3	176.2	-174.6	-103.4	0	0	0	111.2	I253 V258 F384 D385 L415	I253-W389 HydrophobicContact CD1-CH2 3.34Å; I253-W389 HydrophobicContact CD1-CZ2 3.68Å; I253-W389 HydrophobicContact CD1-CZ3 4.45Å; I253-W389 HydrophobicContact CG1-CH2 3.83Å; I253-W389 HydrophobicContact CG1-CZ2 3.82Å; I253-W389 HydrophobicContact CG2-CZ2 4.21Å; V258-W389 HydrophobicContact CG2-CD2 3.81Å; V258-W389 HydrophobicContact CG2-CG 4.1Å; V258-W389 HydrophobicContact CG2-CZ2 3.77Å; V258-W389 VanDerWaalsContact CG2-NE1 3.26Å; F384-W389 HydrophobicContact CE1-CB 4.39Å; F384-W389 HydrophobicContact CE2-CD2 4.35Å; F384-W389 HydrophobicContact CE2-CE3 4.07Å; F384-W389 HydrophobicContact CZ-CB 3.8Å; F384-W389 HydrophobicContact CZ-CD2 4.03Å; F384-W389 HydrophobicContact CZ-CE3 4.2Å; F384-W389 AromaticContact CZ-CG 3.86Å; F384-W389 HydrophobicContact CZ-CG 3.86Å; D385-W389 PolarHBondContact O-N 3.49Å; W389-L415 HydrophobicContact CE3-CD2 4.49Å; W389-L415 HydrophobicContact CH2-CD2 4.39Å; W389-L415 HydrophobicContact CH2-CG 4.48Å; W389-L415 HydrophobicContact CZ3-CD2 3.89Å; W389-L415 HydrophobicContact CZ3-CG 4.34Å
390	P	94	Very high	96.8	Very high	95 Å²	95	34.8 Å²	34.8	62%	0.617	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	cis	-98.6	46.3	-0.7	39.6	-35.9	0	0	0	113.3
391	R	90.6	Very high	96.8	Very high	156 Å²	156	34.8 Å²	34.8	59%	0.589	17%	0.169	S	C	*	.	S	Bend	trans	-66.1	158.3	176.3	-59.6	171.7	-178.7	-168.4	-4.3	110.2	Q388 K393 S395 T412	Q388-R391 WeakPolarHBondContact O-CA 3.26Å; Q388-R391 WeakPolarHBondContact O-CB 3.36Å; Q388-R391 WeakPolarHBondContact O-CG 3.16Å; Q388-R391 PolarHBondContact O-N 2.86Å; R391-K393 PolarHBondContact O-N 3.24Å; R391-S395 PolarHBondContact O-OG 3.48Å; R391-T412 WeakPolarHBondContact O-CG2 3.36Å
392	N	86.3	Confident	96.8	Very high	128 Å²	128	34.7 Å²	34.7	68%	0.684	17%	0.168	S	C	*	.	S	Bend	trans	-78.5	5.2	-178.4	-66.5	-29.5	0	0	0	114.5
393	K	95.7	Very high	96.7	Very high	148 Å²	148	34.9 Å²	34.9	64%	0.643	17%	0.169	S	C	*	.	S	Bend	trans	-155.9	142	-175.6	-164.1	-175.7	176.9	-174.9	0	110.4	R391 S395 D410	R391-K393 PolarHBondContact O-N 3.24Å; K393-S395 VanDerWaalsContact C-N 3.27Å; K393-S395 PolarHBondContact O-N 3.39Å; K393-D410 WeakPolarHBondContact CA-OD2 3.43Å; K393-D410 WeakPolarHBondContact CG-OD2 3.28Å
394	G	97.1	Very high	96.6	Very high	10 Å²	10	37.5 Å²	37.5	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	76.6	2.6	170.6	0	0	0	0	0	115.5	D410 T412	G394-D410 PolarHBondContact N-OD2 3.41Å; G394-T412 PolarHBondContact N-OG1 2.97Å
395	S	97.8	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-78.7	-34	177.6	-42.3	0	0	0	0	112.2	F384 D385 Q388 R391 K393 T412	F384-S395 CarbonylContact C-O 3.59Å; F384-S395 VanDerWaalsContact CA-O 3.27Å; F384-S395 WeakPolarHBondContact CA-O 3.45Å; F384-S395 WeakPolarHBondContact CD2-O 3.3Å; D385-S395 PolarHBondContact N-O 3.12Å; Q388-S395 PolarHBondContact O-OG 2.72Å; R391-S395 PolarHBondContact O-OG 3.48Å; K393-S395 VanDerWaalsContact C-N 3.27Å; K393-S395 PolarHBondContact O-N 3.39Å; S395-T412 PolarHBondContact N-OG1 3.22Å
396	L	98.7	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	109.1	172.3	-177.9	59	0	0	0	110.5	I251 M382 F384 V411 T412 L415 W421	I251-L396 HydrophobicContact CD1-CD1 3.54Å; I251-L396 HydrophobicContact CD1-CD2 3.72Å; I251-L396 HydrophobicContact CD1-CG 4.3Å; M382-L396 HydrophobicContact CB-CD1 4.22Å; F384-L396 HydrophobicContact CB-CD1 4.18Å; F384-L396 HydrophobicContact CD2-CB 4.22Å; F384-L396 HydrophobicContact CD2-CD1 4.34Å; L396-V411 HydrophobicContact CB-CG2 4.2Å; L396-V411 HydrophobicContact CD2-CG2 3.7Å; L396-V411 HydrophobicContact CG-CG2 3.6Å; L396-V411 WeakPolarHBondContact O-CG2 3.47Å; L396-V411 PolarHBondContact O-N 3.41Å; L396-T412 PolarHBondContact N-OG1 3.09Å; L396-T412 PolarHBondContact O-N 2.84Å; L396-L415 HydrophobicContact CB-CD2 4.13Å; L396-L415 HydrophobicContact CD2-CB 4.32Å; L396-L415 HydrophobicContact CD2-CD2 3.95Å; L396-W421 HydrophobicContact CD2-CB 3.72Å; L396-W421 HydrophobicContact CD2-CD2 4.28Å; L396-W421 HydrophobicContact CD2-CG 3.77Å
397	M	98.7	Very high	96.7	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.9	171.1	-62.3	-60.7	-56.2	0	0	109.7	D363 I366 I383 D410	D363-M397 WeakPolarHBondContact OD1-CE 3.22Å; I366-M397 HydrophobicContact CD1-CB 3.75Å; I366-M397 HydrophobicContact CD1-CE 4.06Å; I383-M397 HydrophobicContact CB-CB 4.44Å; I383-M397 PolarHBondContact N-O 3.07Å; I383-M397 PolarHBondContact O-N 3.15Å; M397-D410 HydrophobicContact CE-CB 4.06Å; M397-D410 HydrophobicContact SD-CB 3.54Å; M397-D410 VanDerWaalsContact SD-CB 3.54Å
398	I	98.8	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.6	166	63	164	0	0	0	111.1	W381 M382 S408 L409 V411 W421 F428 I429	W381-I398 CarbonylContact O-C 3.45Å; W381-I398 WeakPolarHBondContact O-CA 3.47Å; W381-I398 WeakPolarHBondContact O-CB 3.48Å; M382-I398 HydrophobicContact CG-CG2 4.01Å; I398-S408 CarbonylContact O-C 3.55Å; I398-S408 WeakPolarHBondContact O-CA 3.36Å; I398-S408 VanDerWaalsContact O-CB 3.28Å; I398-S408 WeakPolarHBondContact O-CB 3.28Å; I398-L409 HydrophobicContact CD1-CB 4.18Å; I398-L409 HydrophobicContact CG1-CB 3.87Å; I398-L409 WeakPolarHBondContact CG1-O 3.38Å; I398-L409 PolarHBondContact N-O 3.4Å; I398-L409 PolarHBondContact O-N 3.42Å; I398-V411 HydrophobicContact CD1-CG1 3.88Å; I398-V411 HydrophobicContact CG1-CG1 3.86Å; I398-V411 HydrophobicContact CG2-CG2 3.76Å; I398-W421 HydrophobicContact CD1-CH2 3.79Å; I398-W421 HydrophobicContact CD1-CZ2 3.83Å; I398-W421 HydrophobicContact CG2-CH2 4.39Å; I398-W421 HydrophobicContact CG2-CZ2 3.72Å; I398-F428 HydrophobicContact CD1-CB 4.29Å; I398-F428 HydrophobicContact CD1-CD1 3.79Å; I398-F428 HydrophobicContact CD1-CG 4.3Å; I398-I429 HydrophobicContact CD1-CD1 4.37Å; I398-I429 HydrophobicContact CD1-CG1 4.14Å
399	A	98.8	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136	168.1	0	0	0	0	0	111	I366 Q380 W381 V406 S407	I366-A399 HydrophobicContact CB-CB 4.5Å; I366-A399 HydrophobicContact CD1-CB 3.92Å; I366-A399 HydrophobicContact CG1-CB 3.76Å; I366-A399 HydrophobicContact CG2-CB 4.06Å; Q380-A399 CarbonylContact C-O 3.45Å; Q380-A399 WeakPolarHBondContact CA-O 3.43Å; W381-A399 HydrophobicContact CB-CB 4.47Å; W381-A399 PolarHBondContact N-O 3.28Å; W381-A399 PolarHBondContact O-N 2.87Å; A399-V406 HydrophobicContact CB-CG1 4.15Å; A399-S407 CarbonylContact C-O 3.57Å; A399-S407 VanDerWaalsContact CA-O 3.26Å; A399-S407 WeakPolarHBondContact CA-O 3.12Å
400	E	98.9	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.9	-179.6	-65.4	-168.3	146.9	0	0	110.5	N379 Q380 V406 S407 P427 F428 I429 I432	N379-E400 WeakPolarHBondContact O-CA 3.33Å; Q380-E400 HydrophobicContact CB-CG 3.9Å; Q380-E400 HydrophobicContact CG-CG 3.82Å; Q380-E400 PolarHBondContact NE2-OE1 2.79Å; E400-V406 WeakPolarHBondContact O-CA 3.36Å; E400-S407 PolarHBondContact N-O 2.64Å; E400-S407 PolarHBondContact O-N 2.78Å; E400-P427 VanDerWaalsContact OE1-CA 3.23Å; E400-P427 WeakPolarHBondContact OE1-CA 3.41Å; E400-F428 PolarHBondContact OE1-N 3.17Å; E400-F428 PolarHBondContact OE2-N 2.76Å; E400-I429 HydrophobicContact CB-CD1 4.2Å; E400-I429 HydrophobicContact CG-CD1 4.11Å; E400-I429 HydrophobicContact CG-CG1 4.3Å; E400-I429 WeakPolarHBondContact OE2-CB 3.39Å; E400-I429 WeakPolarHBondContact OE2-CG1 3.37Å; E400-I429 PolarHBondContact OE2-N 2.99Å; E400-I432 HydrophobicContact CB-CB 4.3Å; E400-I432 HydrophobicContact CB-CG1 3.85Å; E400-I432 HydrophobicContact CB-CG2 4.04Å
401	Q	98.4	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.6	-175.9	-179.9	-175.6	-69.6	0	0	111.8	T348 R351 F369 N373 T376 N378 N379 V406	T348-Q401 PolarHBondContact OG1-NE2 3.17Å; R351-Q401 VanDerWaalsContact CZ-OE1 3.22Å; R351-Q401 VanDerWaalsContact NH2-CD 3.34Å; F369-Q401 HydrophobicContact CE1-CB 4.34Å; N373-Q401 VanDerWaalsContact OD1-CG 3.29Å; N373-Q401 WeakPolarHBondContact OD1-CG 2.99Å; N373-Q401 PolarHBondContact OD1-NE2 2.72Å; N373-Q401 PolarHBondContact OD1-OE1 3.34Å; T376-Q401 PolarHBondContact O-NE2 3.35Å; N378-Q401 WeakPolarHBondContact CB-O 3.34Å; N378-Q401 PolarHBondContact OD1-NE2 2.72Å; N379-Q401 PolarHBondContact O-N 2.89Å; N379-Q401 VanDerWaalsContact O-N 3.09Å; Q401-V406 HydrophobicContact CB-CG2 4.16Å; Q401-V406 HydrophobicContact CG-CG2 4.02Å
402	L	98.3	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	171.6	160.4	-66.3	174.4	0	0	0	109.1	V329 L334 N373 N378 G404 I405 I432 L435	V329-L402 HydrophobicContact CG2-CD2 3.68Å; L334-L402 HydrophobicContact CD1-CB 4.48Å; L334-L402 HydrophobicContact CD1-CD1 4.41Å; N373-L402 PolarHBondContact ND2-O 2.52Å; N378-L402 VanDerWaalsContact OD1-CA 3.27Å; N378-L402 WeakPolarHBondContact OD1-CA 3.02Å; L402-G404 PolarHBondContact O-N 3.4Å; L402-G404 VanDerWaalsContact O-N 3.09Å; L402-I405 HydrophobicContact CB-CG2 3.78Å; L402-I405 HydrophobicContact CD1-CG2 4.45Å; L402-I405 PolarHBondContact N-O 2.75Å; L402-I405 PolarHBondContact O-N 2.87Å; L402-I432 HydrophobicContact CD1-CB 4.39Å; L402-I432 HydrophobicContact CD1-CD1 4.05Å; L402-I432 HydrophobicContact CD1-CG2 3.77Å; L402-I432 HydrophobicContact CD2-CG2 4.37Å; L402-I432 HydrophobicContact CG-CD1 4.29Å; L402-I432 HydrophobicContact CG-CG2 3.87Å; L402-L435 HydrophobicContact CD1-CB 3.86Å
403	P	98.3	Very high	98.1	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.019	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	120.1	166.9	-21.3	29.3	0	0	0	112	L334 W335 I337 V338 G375	L334-P403 HydrophobicContact CB-CB 4.05Å; L334-P403 HydrophobicContact CB-CG 3.96Å; L334-P403 WeakPolarHBondContact O-CB 3.18Å; W335-P403 HydrophobicContact CE3-CG 3.89Å; W335-P403 HydrophobicContact CZ3-CG 3.66Å; I337-P403 HydrophobicContact CB-CB 3.99Å; I337-P403 HydrophobicContact CD1-CB 4.26Å; I337-P403 WeakPolarHBondContact CD1-O 3.45Å; I337-P403 HydrophobicContact CG2-CB 4.27Å; V338-P403 HydrophobicContact CG2-CB 3.83Å; V338-P403 HydrophobicContact CG2-CG 3.72Å; G375-P403 VanDerWaalsContact CA-CA 3.47Å; G375-P403 WeakPolarHBondContact O-CG 3.37Å
404	G	96.7	Very high	98.2	Very high	56 Å²	56	25.9 Å²	25.9	58%	0.577	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-4.4	176.9	0	0	0	0	0	116.3	L402	L402-G404 PolarHBondContact O-N 3.4Å; L402-G404 VanDerWaalsContact O-N 3.09Å
405	I	97.9	Very high	98.2	Very high	54 Å²	54	25.4 Å²	25.4	28%	0.277	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.3	-178.4	-171.9	168.5	0	0	0	112.2	N373 L402 I432 L435	N373-I405 PolarHBondContact ND2-N 3.38Å; N373-I405 PolarHBondContact ND2-O 3.49Å; L402-I405 HydrophobicContact CB-CG2 3.78Å; L402-I405 HydrophobicContact CD1-CG2 4.45Å; L402-I405 PolarHBondContact N-O 2.75Å; L402-I405 PolarHBondContact O-N 2.87Å; I405-I432 HydrophobicContact CD1-CD1 4.45Å; I405-I432 HydrophobicContact CG1-CD1 4.43Å; I405-I432 HydrophobicContact CG2-CD1 3.94Å; I405-L435 HydrophobicContact CD1-CD1 4.28Å
406	V	98.5	Very high	98.1	Very high	28 Å²	28	27.9 Å²	27.9	17%	0.17	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.9	162.3	-179.3	0	0	0	0	106.6	F369 K370 N373 A399 E400 Q401	F369-V406 HydrophobicContact CD1-CG1 4.49Å; K370-V406 HydrophobicContact CB-CB 3.77Å; K370-V406 HydrophobicContact CB-CG1 4.08Å; K370-V406 HydrophobicContact CB-CG2 3.94Å; N373-V406 HydrophobicContact CB-CG2 4.23Å; A399-V406 HydrophobicContact CB-CG1 4.15Å; E400-V406 WeakPolarHBondContact O-CA 3.36Å; Q401-V406 HydrophobicContact CB-CG2 4.16Å; Q401-V406 HydrophobicContact CG-CG2 4.02Å
407	S	98.4	Very high	98	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.5	174.2	-63.4	0	0	0	0	109.6	A399 E400 I429	A399-S407 CarbonylContact C-O 3.57Å; A399-S407 VanDerWaalsContact CA-O 3.26Å; A399-S407 WeakPolarHBondContact CA-O 3.12Å; E400-S407 PolarHBondContact N-O 2.64Å; E400-S407 PolarHBondContact O-N 2.78Å; S407-I429 WeakPolarHBondContact O-CD1 3.36Å
408	S	98.6	Very high	97.9	Very high	60 Å²	60	39.4 Å²	39.4	42%	0.42	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157	-180	56.8	0	0	0	0	112.8	I398	I398-S408 CarbonylContact O-C 3.55Å; I398-S408 WeakPolarHBondContact O-CA 3.36Å; I398-S408 VanDerWaalsContact O-CB 3.28Å; I398-S408 WeakPolarHBondContact O-CB 3.28Å
409	L	98.3	Very high	97.9	Very high	73 Å²	73	40.2 Å²	40.2	38%	0.382	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.2	177.8	-172.6	65.5	0	0	0	110.6	I398 V411 F428 I429	I398-L409 HydrophobicContact CD1-CB 4.18Å; I398-L409 HydrophobicContact CG1-CB 3.87Å; I398-L409 WeakPolarHBondContact CG1-O 3.38Å; I398-L409 PolarHBondContact N-O 3.4Å; I398-L409 PolarHBondContact O-N 3.42Å; L409-V411 HydrophobicContact CB-CG1 4.24Å; L409-V411 HydrophobicContact CD2-CG1 3.76Å; L409-V411 HydrophobicContact CG-CG1 3.9Å; L409-F428 HydrophobicContact CD2-CD1 4.19Å; L409-F428 HydrophobicContact CD2-CE1 3.63Å; L409-I429 HydrophobicContact CB-CD1 4.38Å
410	D	98.6	Very high	97.8	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.9	165.9	-173.4	-24.7	0	0	0	109.3	K393 G394 M397 T412	K393-D410 WeakPolarHBondContact CA-OD2 3.43Å; K393-D410 WeakPolarHBondContact CG-OD2 3.28Å; G394-D410 PolarHBondContact N-OD2 3.41Å; M397-D410 HydrophobicContact CE-CB 4.06Å; M397-D410 HydrophobicContact SD-CB 3.54Å; M397-D410 VanDerWaalsContact SD-CB 3.54Å; D410-T412 WeakPolarHBondContact OD1-CB 3.43Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 3.06Å
411	V	98.3	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.			trans	-107.8	15.3	-177.1	-61.2	0	0	0	0	112.2	L396 I398 L409 K413 I414 L415 W421	L396-V411 HydrophobicContact CB-CG2 4.2Å; L396-V411 HydrophobicContact CD2-CG2 3.7Å; L396-V411 HydrophobicContact CG-CG2 3.6Å; L396-V411 WeakPolarHBondContact O-CG2 3.47Å; L396-V411 PolarHBondContact O-N 3.41Å; I398-V411 HydrophobicContact CD1-CG1 3.88Å; I398-V411 HydrophobicContact CG1-CG1 3.86Å; I398-V411 HydrophobicContact CG2-CG2 3.76Å; L409-V411 HydrophobicContact CB-CG1 4.24Å; L409-V411 HydrophobicContact CD2-CG1 3.76Å; L409-V411 HydrophobicContact CG-CG1 3.9Å; V411-K413 VanDerWaalsContact C-N 3.27Å; V411-K413 PolarHBondContact O-N 2.98Å; V411-I414 HydrophobicContact CB-CB 4.39Å; V411-I414 HydrophobicContact CB-CD1 4.27Å; V411-I414 HydrophobicContact CG1-CD1 4.15Å; V411-I414 WeakPolarHBondContact O-CB 2.94Å; V411-I414 PolarHBondContact O-N 2.93Å; V411-L415 PolarHBondContact O-N 3.48Å; V411-W421 HydrophobicContact CB-CE3 3.85Å; V411-W421 HydrophobicContact CB-CH2 4.09Å; V411-W421 HydrophobicContact CB-CZ3 3.54Å; V411-W421 HydrophobicContact CG1-CE3 4.34Å; V411-W421 HydrophobicContact CG1-CH2 3.67Å; V411-W421 HydrophobicContact CG1-CZ3 3.55Å; V411-W421 HydrophobicContact CG2-CD2 4.05Å; V411-W421 HydrophobicContact CG2-CE3 3.75Å; V411-W421 HydrophobicContact CG2-CH2 4.16Å; V411-W421 HydrophobicContact CG2-CZ2 4.44Å; V411-W421 HydrophobicContact CG2-CZ3 3.8Å
412	T	98.4	Very high	97.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-54.2	-43.2	179.4	-55.2	0	0	0	0	112	R391 G394 S395 L396 D410 I414 L415 A416	R391-T412 WeakPolarHBondContact O-CG2 3.36Å; G394-T412 PolarHBondContact N-OG1 2.97Å; S395-T412 PolarHBondContact N-OG1 3.22Å; L396-T412 PolarHBondContact N-OG1 3.09Å; L396-T412 PolarHBondContact O-N 2.84Å; D410-T412 WeakPolarHBondContact OD1-CB 3.43Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 3.06Å; T412-I414 VanDerWaalsContact C-N 3.34Å; T412-I414 PolarHBondContact O-N 3.21Å; T412-L415 PolarHBondContact O-N 3.24Å; T412-A416 WeakPolarHBondContact O-CB 3.46Å; T412-A416 PolarHBondContact O-N 3.13Å
413	K	97.3	Very high	97.9	Very high	145 Å²	145	42.2 Å²	42.2	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-65.1	-36.6	177.1	-70.2	-174.8	178.9	179.2	0	112.8	V411 A416 I417	V411-K413 VanDerWaalsContact C-N 3.27Å; V411-K413 PolarHBondContact O-N 2.98Å; K413-A416 PolarHBondContact O-N 2.87Å; K413-I417 WeakPolarHBondContact O-CB 3.37Å; K413-I417 WeakPolarHBondContact O-CD1 3.5Å; K413-I417 VanDerWaalsContact O-CG1 3.23Å; K413-I417 WeakPolarHBondContact O-CG1 3.43Å; K413-I417 PolarHBondContact O-N 2.87Å
414	I	97.2	Very high	97.9	Very high	45 Å²	45	42.7 Å²	42.7	23%	0.231	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-48.6	177.9	-60.7	178.9	0	0	0	109.1	V411 T412 A416 I417 Q418 W421 F428	V411-I414 HydrophobicContact CB-CB 4.39Å; V411-I414 HydrophobicContact CB-CD1 4.27Å; V411-I414 HydrophobicContact CG1-CD1 4.15Å; V411-I414 WeakPolarHBondContact O-CB 2.94Å; V411-I414 PolarHBondContact O-N 2.93Å; T412-I414 VanDerWaalsContact C-N 3.34Å; T412-I414 PolarHBondContact O-N 3.21Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.25Å; I414-I417 PolarHBondContact O-N 3.32Å; I414-Q418 HydrophobicContact CG2-CG 4.17Å; I414-Q418 WeakPolarHBondContact O-CB 3.34Å; I414-Q418 WeakPolarHBondContact O-CG 3.08Å; I414-Q418 PolarHBondContact O-N 2.86Å; I414-W421 HydrophobicContact CB-CZ3 4.5Å; I414-W421 HydrophobicContact CD1-CZ3 4.21Å; I414-W421 HydrophobicContact CG2-CE3 4.17Å; I414-W421 HydrophobicContact CG2-CZ3 4.17Å; I414-F428 HydrophobicContact CD1-CE1 4.31Å; I414-F428 HydrophobicContact CD1-CZ 3.75Å
415	L	97.8	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-48.1	175.8	174.4	60.3	0	0	0	111.4	I251 I253 F384 W389 L396 V411 T412 G419 Y420 W421	I251-L415 HydrophobicContact CG2-CD1 3.99Å; I251-L415 HydrophobicContact CG2-CD2 4.03Å; I253-L415 HydrophobicContact CD1-CD1 4.25Å; I253-L415 HydrophobicContact CD1-CG 4.07Å; I253-L415 WeakPolarHBondContact CD1-O 3.3Å; I253-L415 HydrophobicContact CG1-CD1 4.01Å; I253-L415 HydrophobicContact CG1-CG 4.21Å; F384-L415 HydrophobicContact CD2-CD2 4.49Å; F384-L415 HydrophobicContact CE2-CD2 4.07Å; W389-L415 HydrophobicContact CE3-CD2 4.49Å; W389-L415 HydrophobicContact CH2-CD2 4.39Å; W389-L415 HydrophobicContact CH2-CG 4.48Å; W389-L415 HydrophobicContact CZ3-CD2 3.89Å; W389-L415 HydrophobicContact CZ3-CG 4.34Å; L396-L415 HydrophobicContact CB-CD2 4.13Å; L396-L415 HydrophobicContact CD2-CB 4.32Å; L396-L415 HydrophobicContact CD2-CD2 3.95Å; V411-L415 PolarHBondContact O-N 3.48Å; T412-L415 PolarHBondContact O-N 3.24Å; L415-G419 VanDerWaalsContact O-CA 3.3Å; L415-G419 WeakPolarHBondContact O-CA 3.15Å; L415-G419 PolarHBondContact O-N 3.31Å; L415-Y420 PolarHBondContact O-N 3.08Å; L415-W421 HydrophobicContact CD1-CB 4.26Å
416	A	96.3	Very high	97.9	Very high	51 Å²	51	38.2 Å²	38.2	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-42	-179.6	0	0	0	0	0	113.2	T412 K413 I414	T412-A416 WeakPolarHBondContact O-CB 3.46Å; T412-A416 PolarHBondContact O-N 3.13Å; K413-A416 PolarHBondContact O-N 2.87Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.25Å
417	I	96.2	Very high	97.9	Very high	147 Å²	147	37 Å²	37	75%	0.754	20%	0.201	S	C	*	.	H	α-helix	trans	-75.3	-43.1	-177.8	-68.6	166.8	0	0	0	111.6	K413 I414	K413-I417 WeakPolarHBondContact O-CB 3.37Å; K413-I417 WeakPolarHBondContact O-CD1 3.5Å; K413-I417 VanDerWaalsContact O-CG1 3.23Å; K413-I417 WeakPolarHBondContact O-CG1 3.43Å; K413-I417 PolarHBondContact O-N 2.87Å; I414-I417 PolarHBondContact O-N 3.32Å
418	Q	96.5	Very high	97.9	Very high	101 Å²	101	38.8 Å²	38.8	47%	0.472	21%	0.206	S	C	.	.	H	α-helix	trans	-82.7	-20.2	-176.7	-63.3	-175	1.8	0	0	112.5	I414 Y420	I414-Q418 HydrophobicContact CG2-CG 4.17Å; I414-Q418 WeakPolarHBondContact O-CB 3.34Å; I414-Q418 WeakPolarHBondContact O-CG 3.08Å; I414-Q418 PolarHBondContact O-N 2.86Å; Q418-Y420 HydrophobicContact CB-CD1 4.07Å; Q418-Y420 HydrophobicContact CB-CE1 4.23Å; Q418-Y420 PolarHBondContact O-N 2.86Å
419	G	97.4	Very high	97.9	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	19%	0.192	C	C	.	.	S	Bend	trans	75.9	3.6	-172.6	0	0	0	0	0	113.8	K252 I253 L415	K252-G419 WeakPolarHBondContact CD-O 3.29Å; K252-G419 PolarHBondContact NZ-O 3.38Å; K252-G419 VanDerWaalsContact NZ-O 3.13Å; I253-G419 PolarHBondContact N-O 3.15Å; I253-G419 VanDerWaalsContact N-O 3.08Å; L415-G419 VanDerWaalsContact O-CA 3.3Å; L415-G419 WeakPolarHBondContact O-CA 3.15Å; L415-G419 PolarHBondContact O-N 3.31Å
420	Y	98.5	Very high	97.8	Very high	26 Å²	26	39.4 Å²	39.4	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	162.4	175.6	80.7	-75.3	0	0	0	113.1	L250 I251 L415 Q418 A422 F460 H464	L250-Y420 HydrophobicContact CD1-CD2 3.66Å; L250-Y420 HydrophobicContact CD1-CG 4.3Å; I251-Y420 CarbonylContact O-C 3.46Å; I251-Y420 WeakPolarHBondContact O-CA 3.15Å; I251-Y420 WeakPolarHBondContact O-CB 3.07Å; L415-Y420 PolarHBondContact O-N 3.08Å; Q418-Y420 HydrophobicContact CB-CD1 4.07Å; Q418-Y420 HydrophobicContact CB-CE1 4.23Å; Q418-Y420 PolarHBondContact O-N 2.86Å; Y420-A422 HydrophobicContact CD2-CB 3.93Å; Y420-A422 HydrophobicContact CE2-CB 3.74Å; Y420-F460 HydrophobicContact CE2-CB 4.25Å; Y420-H464 HydrophobicContact CD1-CB 4.35Å; Y420-H464 AromaticContact CD1-CD2 3.79Å; Y420-H464 AromaticContact CD1-CE1 3.4Å; Y420-H464 WeakPolarHBondContact CD1-CE1 3.28Å; Y420-H464 AromaticContact CD1-CG 3.57Å; Y420-H464 AromaticContact CD1-ND1 3.31Å; Y420-H464 VanDerWaalsContact CD1-ND1 3.31Å; Y420-H464 WeakPolarHBondContact CD1-ND1 3.41Å; Y420-H464 AromaticContact CD1-NE2 3.7Å; Y420-H464 HydrophobicContact CD2-CB 4.34Å; Y420-H464 AromaticContact CE1-CD2 3.63Å; Y420-H464 AromaticContact CE1-CE1 3.77Å; Y420-H464 AromaticContact CE1-CG 3.88Å; Y420-H464 AromaticContact CE1-ND1 3.96Å; Y420-H464 AromaticContact CE1-NE2 3.57Å; Y420-H464 HydrophobicContact CG-CB 4.13Å; Y420-H464 AromaticContact CG-CG 3.83Å; Y420-H464 AromaticContact CG-ND1 3.74Å
421	W	98.8	Very high	97.8	Very high	6 Å²	6	42.1 Å²	42.1	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132	162.9	175.9	-89.7	0	0	0	108.6	L250 I251 L396 I398 V411 I414 L415 F428	L250-W421 WeakPolarHBondContact CA-O 3.37Å; I251-W421 HydrophobicContact CB-CB 4.24Å; I251-W421 PolarHBondContact N-O 3.45Å; I251-W421 PolarHBondContact O-N 3.4Å; L396-W421 HydrophobicContact CD2-CB 3.72Å; L396-W421 HydrophobicContact CD2-CD2 4.28Å; L396-W421 HydrophobicContact CD2-CG 3.77Å; I398-W421 HydrophobicContact CD1-CH2 3.79Å; I398-W421 HydrophobicContact CD1-CZ2 3.83Å; I398-W421 HydrophobicContact CG2-CH2 4.39Å; I398-W421 HydrophobicContact CG2-CZ2 3.72Å; V411-W421 HydrophobicContact CB-CE3 3.85Å; V411-W421 HydrophobicContact CB-CH2 4.09Å; V411-W421 HydrophobicContact CB-CZ3 3.54Å; V411-W421 HydrophobicContact CG1-CE3 4.34Å; V411-W421 HydrophobicContact CG1-CH2 3.67Å; V411-W421 HydrophobicContact CG1-CZ3 3.55Å; V411-W421 HydrophobicContact CG2-CD2 4.05Å; V411-W421 HydrophobicContact CG2-CE3 3.75Å; V411-W421 HydrophobicContact CG2-CH2 4.16Å; V411-W421 HydrophobicContact CG2-CZ2 4.44Å; V411-W421 HydrophobicContact CG2-CZ3 3.8Å; I414-W421 HydrophobicContact CB-CZ3 4.5Å; I414-W421 HydrophobicContact CD1-CZ3 4.21Å; I414-W421 HydrophobicContact CG2-CE3 4.17Å; I414-W421 HydrophobicContact CG2-CZ3 4.17Å; L415-W421 HydrophobicContact CD1-CB 4.26Å; W421-F428 HydrophobicContact CH2-CB 4.28Å; W421-F428 AromaticContact CH2-CD1 3.8Å; W421-F428 HydrophobicContact CH2-CD1 3.8Å; W421-F428 AromaticContact CH2-CD2 3.62Å; W421-F428 HydrophobicContact CH2-CD2 3.62Å; W421-F428 HydrophobicContact CH2-CE1 4.02Å; W421-F428 AromaticContact CH2-CE2 3.84Å; W421-F428 HydrophobicContact CH2-CE2 3.84Å; W421-F428 AromaticContact CH2-CG 3.61Å; W421-F428 HydrophobicContact CH2-CG 3.61Å; W421-F428 HydrophobicContact CH2-CZ 4.04Å; W421-F428 HydrophobicContact CZ2-CB 4.45Å; W421-F428 HydrophobicContact CZ2-CD2 4.38Å; W421-F428 HydrophobicContact CZ2-CG 4.25Å; W421-F428 HydrophobicContact CZ3-CD2 4.27Å; W421-F428 HydrophobicContact CZ3-CE1 4.46Å; W421-F428 HydrophobicContact CZ3-CE2 4.05Å; W421-F428 HydrophobicContact CZ3-CZ 4.16Å
422	A	98.7	Very high	97.8	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.4	179.7	0	0	0	0	0	111.4	A249 L250 Y420 Y424 F460	A249-A422 WeakPolarHBondContact O-CA 3.38Å; L250-A422 HydrophobicContact CD1-CB 4.14Å; Y420-A422 HydrophobicContact CD2-CB 3.93Å; Y420-A422 HydrophobicContact CE2-CB 3.74Å; A422-Y424 HydrophobicContact CB-CD1 4.18Å; A422-Y424 HydrophobicContact CB-CE1 3.93Å; A422-F460 HydrophobicContact CB-CB 4.01Å; A422-F460 HydrophobicContact CB-CD1 4.42Å; A422-F460 HydrophobicContact CB-CD2 3.57Å; A422-F460 HydrophobicContact CB-CE2 4.05Å; A422-F460 HydrophobicContact CB-CG 3.77Å
423	S	98.8	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.8	179.5	-164.6	0	0	0	0	110.7	S248 A249 T325 Q380 M382	S248-S423 WeakPolarHBondContact CA-O 3.32Å; A249-S423 PolarHBondContact N-O 2.96Å; A249-S423 PolarHBondContact O-N 3.21Å; T325-S423 WeakPolarHBondContact CG2-OG 3.37Å; T325-S423 PolarHBondContact OG1-OG 2.76Å; Q380-S423 VanDerWaalsContact OE1-CB 3.26Å; Q380-S423 PolarHBondContact OE1-OG 3.15Å; M382-S423 VanDerWaalsContact SD-CB 3.56Å
424	Y	98	Very high	97.8	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.055	21%	0.214	C	C	.	.			trans	-162.1	46.6	-166.6	39.4	-104.8	0	0	0	113.3	T325 A422 L426 H451 T454 R456 A457 F460	T325-Y424 PolarHBondContact OG1-N 2.71Å; A422-Y424 HydrophobicContact CB-CD1 4.18Å; A422-Y424 HydrophobicContact CB-CE1 3.93Å; Y424-L426 VanDerWaalsContact C-N 3.3Å; Y424-L426 HydrophobicContact CD2-CB 4.44Å; Y424-L426 HydrophobicContact CD2-CD1 4.48Å; Y424-L426 PolarHBondContact O-N 3.25Å; Y424-H451 AromaticContact CE2-NE2 3.78Å; Y424-H451 WeakPolarHBondContact CE2-O 3.25Å; Y424-H451 AromaticContact CZ-CE1 3.74Å; Y424-H451 AromaticContact CZ-NE2 3.89Å; Y424-H451 PolarHBondContact OH-CE1 2.93Å; Y424-H451 PolarHBondContact OH-ND1 2.96Å; Y424-H451 PolarHBondContact OH-O 3.48Å; Y424-T454 HydrophobicContact CD2-CG2 3.54Å; Y424-T454 HydrophobicContact CE2-CG2 3.66Å; Y424-T454 HydrophobicContact CG-CG2 4.32Å; Y424-R456 HydrophobicContact CD1-CB 4.35Å; Y424-R456 HydrophobicContact CG-CB 4.05Å; Y424-R456 PolarHBondContact O-NH2 2.69Å; Y424-A457 HydrophobicContact CE1-CB 3.81Å; Y424-A457 HydrophobicContact CE2-CB 3.88Å; Y424-A457 VanDerWaalsContact CZ-CB 3.42Å; Y424-A457 VanDerWaalsContact OH-CB 3.31Å; Y424-A457 WeakPolarHBondContact OH-CB 3.16Å; Y424-F460 AromaticContact CD1-CD2 3.81Å; Y424-F460 HydrophobicContact CD1-CD2 3.81Å; Y424-F460 HydrophobicContact CD1-CE2 4Å; Y424-F460 HydrophobicContact CE1-CD2 4.3Å
425	N	97.3	Very high	97.9	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.221	C	C	.	.	S	Bend	trans	63.8	23.8	172.4	-49	109.8	0	0	0	116.3	S246 C247 T325 T326 R456	S246-N425 WeakPolarHBondContact CA-ND2 3.5Å; S246-N425 PolarHBondContact OG-OD1 2.79Å; C247-N425 PolarHBondContact N-ND2 2.93Å; C247-N425 PolarHBondContact N-OD1 2.89Å; C247-N425 PolarHBondContact O-OD1 3.21Å; T325-N425 PolarHBondContact OG1-N 2.89Å; T325-N425 VanDerWaalsContact OG1-N 3.09Å; T326-N425 PolarHBondContact N-ND2 3.45Å; T326-N425 VanDerWaalsContact N-ND2 3.18Å; T326-N425 WeakPolarHBondContact O-CA 3.24Å; T326-N425 WeakPolarHBondContact O-CB 3.46Å; T326-N425 PolarHBondContact O-ND2 2.83Å; N425-R456 PolarHBondContact OD1-NH1 2.87Å; N425-R456 PolarHBondContact OD1-NH2 3.33Å
426	L	97.8	Very high	97.9	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	22%	0.221	C	C	.	.	S	Bend	trans	-125.8	134.8	171.4	-68.1	176.2	0	0	0	108.8	N327 Y424 F428 T438 Y449 H451 T454	N327-L426 WeakPolarHBondContact OD1-CA 3.4Å; N327-L426 PolarHBondContact OD1-N 3.15Å; Y424-L426 VanDerWaalsContact C-N 3.3Å; Y424-L426 HydrophobicContact CD2-CB 4.44Å; Y424-L426 HydrophobicContact CD2-CD1 4.48Å; Y424-L426 PolarHBondContact O-N 3.25Å; L426-F428 PolarHBondContact O-N 2.81Å; L426-T438 HydrophobicContact CD2-CG2 3.68Å; L426-Y449 HydrophobicContact CD2-CD1 4.33Å; L426-H451 PolarHBondContact O-CD2 3.36Å; L426-T454 HydrophobicContact CD1-CG2 3.71Å
427	P	98.2	Very high	98	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.203	C	C	.	.			trans	-62.8	136.6	176.3	-20.5	30.2	0	0	0	111.9	N327 E400 I432 H451	N327-P427 HydrophobicContact CB-CG 4.09Å; N327-P427 WeakPolarHBondContact OD1-CD 3.14Å; N327-P427 VanDerWaalsContact OD1-N 3.1Å; E400-P427 VanDerWaalsContact OE1-CA 3.23Å; E400-P427 WeakPolarHBondContact OE1-CA 3.41Å; P427-I432 HydrophobicContact CB-CB 4Å; P427-I432 HydrophobicContact CB-CG2 3.55Å; P427-I432 HydrophobicContact CG-CG2 3.81Å; P427-H451 PolarHBondContact O-CD2 2.94Å
428	F	98.5	Very high	98.1	Very high	60 Å²	60	32.5 Å²	32.5	26%	0.263	17%	0.167	S	C	.	.			trans	-88.2	-38.1	173.4	178.8	-90	0	0	0	111.7	I398 E400 L409 I414 W421 L426 D430 H451	I398-F428 HydrophobicContact CD1-CB 4.29Å; I398-F428 HydrophobicContact CD1-CD1 3.79Å; I398-F428 HydrophobicContact CD1-CG 4.3Å; E400-F428 PolarHBondContact OE1-N 3.17Å; E400-F428 PolarHBondContact OE2-N 2.76Å; L409-F428 HydrophobicContact CD2-CD1 4.19Å; L409-F428 HydrophobicContact CD2-CE1 3.63Å; I414-F428 HydrophobicContact CD1-CE1 4.31Å; I414-F428 HydrophobicContact CD1-CZ 3.75Å; W421-F428 HydrophobicContact CH2-CB 4.28Å; W421-F428 AromaticContact CH2-CD1 3.8Å; W421-F428 HydrophobicContact CH2-CD1 3.8Å; W421-F428 AromaticContact CH2-CD2 3.62Å; W421-F428 HydrophobicContact CH2-CD2 3.62Å; W421-F428 HydrophobicContact CH2-CE1 4.02Å; W421-F428 AromaticContact CH2-CE2 3.84Å; W421-F428 HydrophobicContact CH2-CE2 3.84Å; W421-F428 AromaticContact CH2-CG 3.61Å; W421-F428 HydrophobicContact CH2-CG 3.61Å; W421-F428 HydrophobicContact CH2-CZ 4.04Å; W421-F428 HydrophobicContact CZ2-CB 4.45Å; W421-F428 HydrophobicContact CZ2-CD2 4.38Å; W421-F428 HydrophobicContact CZ2-CG 4.25Å; W421-F428 HydrophobicContact CZ3-CD2 4.27Å; W421-F428 HydrophobicContact CZ3-CE1 4.46Å; W421-F428 HydrophobicContact CZ3-CE2 4.05Å; W421-F428 HydrophobicContact CZ3-CZ 4.16Å; L426-F428 PolarHBondContact O-N 2.81Å; F428-D430 PolarHBondContact O-N 2.86Å; F428-H451 AromaticContact CD2-CE1 3.57Å; F428-H451 AromaticContact CD2-NE2 3.95Å
429	I	98.6	Very high	98.1	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.128	17%	0.165	C	C	.	.	S	Bend	trans	-75.5	122.4	-177.2	-57.6	177.1	0	0	0	108.3	I398 E400 S407 L409 D431 I432 Y433	I398-I429 HydrophobicContact CD1-CD1 4.37Å; I398-I429 HydrophobicContact CD1-CG1 4.14Å; E400-I429 HydrophobicContact CB-CD1 4.2Å; E400-I429 HydrophobicContact CG-CD1 4.11Å; E400-I429 HydrophobicContact CG-CG1 4.3Å; E400-I429 WeakPolarHBondContact OE2-CB 3.39Å; E400-I429 WeakPolarHBondContact OE2-CG1 3.37Å; E400-I429 PolarHBondContact OE2-N 2.99Å; S407-I429 WeakPolarHBondContact O-CD1 3.36Å; L409-I429 HydrophobicContact CB-CD1 4.38Å; I429-D431 VanDerWaalsContact C-N 3.29Å; I429-D431 PolarHBondContact O-N 2.81Å; I429-I432 HydrophobicContact CB-CB 4.39Å; I429-I432 HydrophobicContact CB-CG1 4.09Å; I429-I432 HydrophobicContact CG2-CG1 4.3Å; I429-I432 WeakPolarHBondContact O-CA 3.32Å; I429-I432 WeakPolarHBondContact O-CB 3.42Å; I429-I432 PolarHBondContact O-N 2.7Å; I429-Y433 PolarHBondContact O-N 3.27Å
430	D	97.7	Very high	98.2	Very high	121 Å²	121	35.8 Å²	35.8	65%	0.647	18%	0.18	S	C	*	.	H	α-helix	trans	-52.9	-43.4	-171.6	-82.2	-20.9	0	0	0	113.3	F428 I432 Y433 I434	F428-D430 PolarHBondContact O-N 2.86Å; D430-I432 VanDerWaalsContact C-N 3.33Å; D430-I432 PolarHBondContact O-N 3.18Å; D430-Y433 WeakPolarHBondContact O-CB 3.03Å; D430-Y433 PolarHBondContact O-N 2.79Å; D430-I434 VanDerWaalsContact O-CG1 3.26Å; D430-I434 WeakPolarHBondContact O-CG1 3.3Å; D430-I434 PolarHBondContact O-N 2.89Å
431	D	97	Very high	98.1	Very high	99 Å²	99	36.1 Å²	36.1	53%	0.529	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-41.3	178.9	-73.1	-16.3	0	0	0	111.7	I429 I434 L435	I429-D431 VanDerWaalsContact C-N 3.29Å; I429-D431 PolarHBondContact O-N 2.81Å; D431-I434 PolarHBondContact O-N 3.44Å; D431-L435 VanDerWaalsContact O-CB 3.25Å; D431-L435 WeakPolarHBondContact O-CB 3.38Å; D431-L435 WeakPolarHBondContact O-CG 3.34Å; D431-L435 PolarHBondContact O-N 3.02Å
432	I	98.6	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-43.6	176.8	-58.1	-59.3	0	0	0	110.2	E400 L402 I405 P427 I429 D430 I434 L435 S436	E400-I432 HydrophobicContact CB-CB 4.3Å; E400-I432 HydrophobicContact CB-CG1 3.85Å; E400-I432 HydrophobicContact CB-CG2 4.04Å; L402-I432 HydrophobicContact CD1-CB 4.39Å; L402-I432 HydrophobicContact CD1-CD1 4.05Å; L402-I432 HydrophobicContact CD1-CG2 3.77Å; L402-I432 HydrophobicContact CD2-CG2 4.37Å; L402-I432 HydrophobicContact CG-CD1 4.29Å; L402-I432 HydrophobicContact CG-CG2 3.87Å; I405-I432 HydrophobicContact CD1-CD1 4.45Å; I405-I432 HydrophobicContact CG1-CD1 4.43Å; I405-I432 HydrophobicContact CG2-CD1 3.94Å; P427-I432 HydrophobicContact CB-CB 4Å; P427-I432 HydrophobicContact CB-CG2 3.55Å; P427-I432 HydrophobicContact CG-CG2 3.81Å; I429-I432 HydrophobicContact CB-CB 4.39Å; I429-I432 HydrophobicContact CB-CG1 4.09Å; I429-I432 HydrophobicContact CG2-CG1 4.3Å; I429-I432 WeakPolarHBondContact O-CA 3.32Å; I429-I432 WeakPolarHBondContact O-CB 3.42Å; I429-I432 PolarHBondContact O-N 2.7Å; D430-I432 VanDerWaalsContact C-N 3.33Å; D430-I432 PolarHBondContact O-N 3.18Å; I432-I434 PolarHBondContact O-N 3.14Å; I432-L435 PolarHBondContact O-N 3.11Å; I432-S436 WeakPolarHBondContact O-CB 3.47Å; I432-S436 PolarHBondContact O-N 2.99Å; I432-S436 PolarHBondContact O-OG 3.36Å
433	Y	98.5	Very high	98	Very high	29 Å²	29	43.4 Å²	43.4	11%	0.114	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-35.1	176.6	-178.3	-101.9	0	0	0	113	I429 D430 S436 T438 K439 A442 Y449	I429-Y433 PolarHBondContact O-N 3.27Å; D430-Y433 WeakPolarHBondContact O-CB 3.03Å; D430-Y433 PolarHBondContact O-N 2.79Å; Y433-S436 PolarHBondContact O-OG 3.24Å; Y433-T438 HydrophobicContact CD2-CG2 3.69Å; Y433-T438 HydrophobicContact CE2-CG2 3.29Å; Y433-T438 PolarHBondContact O-N 3.36Å; Y433-K439 HydrophobicContact CD1-CB 3.8Å; Y433-K439 HydrophobicContact CD1-CG 4.4Å; Y433-K439 VanDerWaalsContact CE1-CA 3.47Å; Y433-K439 HydrophobicContact CE1-CB 3.46Å; Y433-K439 VanDerWaalsContact CE1-CB 3.46Å; Y433-K439 HydrophobicContact CE1-CD 4.4Å; Y433-K439 HydrophobicContact CE1-CG 3.86Å; Y433-K439 PolarHBondContact O-N 3.34Å; Y433-A442 VanDerWaalsContact OH-CB 3.25Å; Y433-A442 WeakPolarHBondContact OH-CB 3.38Å; Y433-Y449 WeakPolarHBondContact CE2-O 3.38Å; Y433-Y449 PolarHBondContact OH-O 2.83Å
434	I	98.3	Very high	97.8	Very high	81 Å²	81	49.1 Å²	49.1	42%	0.415	25%	0.245	S	C	.	.	H	α-helix	trans	-77.7	-54.7	176.2	-67.4	165	0	0	0	110.8	D430 D431 I432 S436 G437 K439	D430-I434 VanDerWaalsContact O-CG1 3.26Å; D430-I434 WeakPolarHBondContact O-CG1 3.3Å; D430-I434 PolarHBondContact O-N 2.89Å; D431-I434 PolarHBondContact O-N 3.44Å; I432-I434 PolarHBondContact O-N 3.14Å; I434-S436 VanDerWaalsContact C-N 3.33Å; I434-S436 PolarHBondContact O-N 3.17Å; I434-G437 PolarHBondContact O-N 2.9Å; I434-K439 HydrophobicContact CG1-CD 3.78Å
435	L	98.2	Very high	97.6	Very high	71 Å²	71	52.3 Å²	52.3	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-35.1	-172.8	-72.5	173	0	0	0	112.7	N331 L402 I405 D431 I432 G437	N331-L435 WeakPolarHBondContact CB-O 3.29Å; N331-L435 PolarHBondContact ND2-O 3.1Å; L402-L435 HydrophobicContact CD1-CB 3.86Å; I405-L435 HydrophobicContact CD1-CD1 4.28Å; D431-L435 VanDerWaalsContact O-CB 3.25Å; D431-L435 WeakPolarHBondContact O-CB 3.38Å; D431-L435 WeakPolarHBondContact O-CG 3.34Å; D431-L435 PolarHBondContact O-N 3.02Å; I432-L435 PolarHBondContact O-N 3.11Å; L435-G437 PolarHBondContact O-N 2.96Å
436	S	98.2	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.6	174.6	71.9	0	0	0	0	112.5	Y330 N331 I432 Y433 I434 T438	Y330-S436 CarbonylContact C-O 3.52Å; Y330-S436 VanDerWaalsContact CA-O 3.31Å; Y330-S436 WeakPolarHBondContact CA-O 3.26Å; Y330-S436 WeakPolarHBondContact CB-O 3.03Å; Y330-S436 PolarHBondContact N-O 2.84Å; N331-S436 PolarHBondContact N-O 2.75Å; I432-S436 WeakPolarHBondContact O-CB 3.47Å; I432-S436 PolarHBondContact O-N 2.99Å; I432-S436 PolarHBondContact O-OG 3.36Å; Y433-S436 PolarHBondContact O-OG 3.24Å; I434-S436 VanDerWaalsContact C-N 3.33Å; I434-S436 PolarHBondContact O-N 3.17Å; S436-T438 VanDerWaalsContact C-N 3.33Å; S436-T438 WeakPolarHBondContact OG-CB 3.37Å; S436-T438 PolarHBondContact OG-N 3.03Å; S436-T438 VanDerWaalsContact OG-N 3.08Å; S436-T438 PolarHBondContact OG-OG1 3.17Å
437	G	98.3	Very high	97.4	Very high	5 Å²	5	56.6 Å²	56.6	5%	0.052	29%	0.29	C	S	.	.	S	Bend	trans	82.9	3.4	-171.2	0	0	0	0	0	114.3	I434 L435 K439 N440 M441	I434-G437 PolarHBondContact O-N 2.9Å; L435-G437 PolarHBondContact O-N 2.96Å; G437-K439 VanDerWaalsContact C-N 3.29Å; G437-K439 PolarHBondContact O-N 2.7Å; G437-N440 WeakPolarHBondContact O-CB 3.07Å; G437-N440 PolarHBondContact O-N 3Å; G437-M441 PolarHBondContact O-N 3.44Å; G437-M441 VanDerWaalsContact O-N 3.14Å
438	T	97.8	Very high	97.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-38	178.9	-56.9	0	0	0	0	111.7	L426 Y433 S436 N440 M441 A442 Y449	L426-T438 HydrophobicContact CD2-CG2 3.68Å; Y433-T438 HydrophobicContact CD2-CG2 3.69Å; Y433-T438 HydrophobicContact CE2-CG2 3.29Å; Y433-T438 PolarHBondContact O-N 3.36Å; S436-T438 VanDerWaalsContact C-N 3.33Å; S436-T438 WeakPolarHBondContact OG-CB 3.37Å; S436-T438 PolarHBondContact OG-N 3.03Å; S436-T438 VanDerWaalsContact OG-N 3.08Å; S436-T438 PolarHBondContact OG-OG1 3.17Å; T438-N440 PolarHBondContact O-N 3.35Å; T438-M441 WeakPolarHBondContact O-CB 3.23Å; T438-M441 PolarHBondContact O-N 3.06Å; T438-M441 VanDerWaalsContact O-N 3.07Å; T438-A442 PolarHBondContact O-N 3.42Å; T438-Y449 HydrophobicContact CG2-CD1 4.43Å
439	K	97.9	Very high	97.2	Very high	96 Å²	96	55.7 Å²	55.7	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-56.5	-35.5	172.5	-172	169.9	-176.5	172	0	113.4	Y433 I434 G437 K443	Y433-K439 HydrophobicContact CD1-CB 3.8Å; Y433-K439 HydrophobicContact CD1-CG 4.4Å; Y433-K439 VanDerWaalsContact CE1-CA 3.47Å; Y433-K439 HydrophobicContact CE1-CB 3.46Å; Y433-K439 VanDerWaalsContact CE1-CB 3.46Å; Y433-K439 HydrophobicContact CE1-CD 4.4Å; Y433-K439 HydrophobicContact CE1-CG 3.86Å; Y433-K439 PolarHBondContact O-N 3.34Å; I434-K439 HydrophobicContact CG1-CD 3.78Å; G437-K439 VanDerWaalsContact C-N 3.29Å; G437-K439 PolarHBondContact O-N 2.7Å; K439-K443 PolarHBondContact O-N 3.01Å
440	N	98	Very high	97.2	Very high	91 Å²	91	56.5 Å²	56.5	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-74.2	-38.4	176.6	-70.7	-22	0	0	0	111.2	G437 T438 A442 K443 I444	G437-N440 WeakPolarHBondContact O-CB 3.07Å; G437-N440 PolarHBondContact O-N 3Å; T438-N440 PolarHBondContact O-N 3.35Å; N440-A442 VanDerWaalsContact C-N 3.26Å; N440-A442 PolarHBondContact O-N 3.14Å; N440-K443 WeakPolarHBondContact O-CB 3.41Å; N440-K443 PolarHBondContact O-N 3.21Å; N440-K443 VanDerWaalsContact O-N 3.13Å; N440-I444 WeakPolarHBondContact O-CG1 3.14Å; N440-I444 PolarHBondContact O-N 2.88Å
441	M	97.3	Very high	97.1	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.158	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-37.9	172.7	-65.2	-57.1	-71.6	0	0	112	Y330 G437 T438 K443 I444 H445 Y449	Y330-M441 HydrophobicContact CD1-CE 4.23Å; Y330-M441 HydrophobicContact CD1-CG 3.82Å; Y330-M441 HydrophobicContact CD1-SD 4.06Å; Y330-M441 HydrophobicContact CD2-CB 4.46Å; Y330-M441 HydrophobicContact CD2-CG 3.5Å; Y330-M441 HydrophobicContact CE1-CE 4.19Å; Y330-M441 HydrophobicContact CE1-CG 4.22Å; Y330-M441 HydrophobicContact CE2-CG 3.89Å; Y330-M441 HydrophobicContact CG-CG 3.46Å; Y330-M441 VanDerWaalsContact CG-CG 3.46Å; Y330-M441 HydrophobicContact CG-SD 4.16Å; G437-M441 PolarHBondContact O-N 3.44Å; G437-M441 VanDerWaalsContact O-N 3.14Å; T438-M441 WeakPolarHBondContact O-CB 3.23Å; T438-M441 PolarHBondContact O-N 3.06Å; T438-M441 VanDerWaalsContact O-N 3.07Å; M441-K443 VanDerWaalsContact C-N 3.34Å; M441-K443 PolarHBondContact O-N 2.99Å; M441-I444 PolarHBondContact O-N 3.26Å; M441-H445 WeakPolarHBondContact CE-CD2 3.37Å; M441-H445 WeakPolarHBondContact O-CB 3.45Å; M441-H445 PolarHBondContact O-N 3.43Å; M441-Y449 HydrophobicContact CB-CD1 3.68Å; M441-Y449 HydrophobicContact CB-CD2 3.81Å; M441-Y449 HydrophobicContact CB-CE1 4.05Å; M441-Y449 HydrophobicContact CB-CE2 4.13Å; M441-Y449 HydrophobicContact CB-CG 3.55Å; M441-Y449 HydrophobicContact CE-CE1 4.27Å; M441-Y449 HydrophobicContact CE-CE2 4.01Å; M441-Y449 HydrophobicContact CG-CD1 4.44Å; M441-Y449 HydrophobicContact CG-CE1 4.45Å
442	A	97.3	Very high	97.1	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-37.4	174.5	0	0	0	0	0	113.5	Y433 T438 N440 I444 G446 V450	Y433-A442 VanDerWaalsContact OH-CB 3.25Å; Y433-A442 WeakPolarHBondContact OH-CB 3.38Å; T438-A442 PolarHBondContact O-N 3.42Å; N440-A442 VanDerWaalsContact C-N 3.26Å; N440-A442 PolarHBondContact O-N 3.14Å; A442-I444 VanDerWaalsContact C-N 3.29Å; A442-I444 PolarHBondContact O-N 3.4Å; A442-G446 WeakPolarHBondContact O-CA 3.38Å; A442-G446 PolarHBondContact O-N 2.76Å; A442-V450 HydrophobicContact CB-CG2 3.73Å
443	K	97.3	Very high	97.1	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-34	174.9	-66.1	172.6	-176.7	171.8	0	112.5	K439 N440 M441	K439-K443 PolarHBondContact O-N 3.01Å; N440-K443 WeakPolarHBondContact O-CB 3.41Å; N440-K443 PolarHBondContact O-N 3.21Å; N440-K443 VanDerWaalsContact O-N 3.13Å; M441-K443 VanDerWaalsContact C-N 3.34Å; M441-K443 PolarHBondContact O-N 2.99Å
444	I	95.4	Very high	97	Very high	120 Å²	120	53.6 Å²	53.6	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-86.4	-41.8	-174.6	-61.2	166.4	0	0	0	111.5	N440 M441 A442	N440-I444 WeakPolarHBondContact O-CG1 3.14Å; N440-I444 PolarHBondContact O-N 2.88Å; M441-I444 PolarHBondContact O-N 3.26Å; A442-I444 VanDerWaalsContact C-N 3.29Å; A442-I444 PolarHBondContact O-N 3.4Å
445	H	94.3	Very high	96.9	Very high	81 Å²	81	50.1 Å²	50.1	38%	0.375	26%	0.257	S	S	.	.	H	α-helix	trans	-117.5	0.1	-169.6	-63.6	-75	0	0	0	113.9	M441 Y449 I517	M441-H445 WeakPolarHBondContact CE-CD2 3.37Å; M441-H445 WeakPolarHBondContact O-CB 3.45Å; M441-H445 PolarHBondContact O-N 3.43Å; H445-Y449 HydrophobicContact CB-CD2 3.58Å; H445-Y449 HydrophobicContact CB-CE2 3.43Å; H445-Y449 VanDerWaalsContact CB-CE2 3.43Å; H445-Y449 AromaticContact CD2-CE2 3.79Å; H445-Y449 AromaticContact CG-CE2 3.78Å; H445-I517 HydrophobicContact CB-CD1 4.32Å
446	G	94.9	Very high	96.9	Very high	29 Å²	29	47.1 Å²	47.1	30%	0.299	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	74.7	-150.9	173.3	0	0	0	0	0	114.8	A442 W448 Y449	A442-G446 WeakPolarHBondContact O-CA 3.38Å; A442-G446 PolarHBondContact O-N 2.76Å; G446-W448 PolarHBondContact O-N 3.36Å; G446-Y449 PolarHBondContact O-N 3.44Å
447	D	95.8	Very high	97	Very high	76 Å²	76	47.1 Å²	47.1	41%	0.406	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-46.4	-28.7	-171	-84.1	19.2	0	0	0	115.6	Y449 V450 M453 T454 K458	D447-Y449 PolarHBondContact O-N 3.3Å; D447-Y449 VanDerWaalsContact O-N 3.17Å; D447-V450 PolarHBondContact O-N 3.13Å; D447-V450 VanDerWaalsContact O-N 3.1Å; D447-M453 HydrophobicContact CB-CB 3.93Å; D447-M453 CarbonylContact O-C 3.44Å; D447-M453 VanDerWaalsContact O-C 3.31Å; D447-T454 WeakPolarHBondContact O-CA 3.34Å; D447-T454 PolarHBondContact O-N 3.25Å; D447-T454 VanDerWaalsContact O-N 3.11Å; D447-K458 IonicContact OD2-NZ 3.96Å; D447-K458 PolarHBondContact OD2-NZ 3.02Å
448	W	95.4	Very high	97	Very high	27 Å²	27	49.4 Å²	49.4	10%	0.102	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31.7	179.7	-177.3	-111.5	0	0	0	113.2	G446 T454 K500 I517 W520	G446-W448 PolarHBondContact O-N 3.36Å; W448-T454 WeakPolarHBondContact O-CB 3.2Å; W448-T454 PolarHBondContact O-OG1 3.36Å; W448-K500 HydrophobicContact CE3-CG 4.36Å; W448-K500 HydrophobicContact CH2-CG 4.21Å; W448-K500 HydrophobicContact CZ3-CG 3.71Å; W448-I517 HydrophobicContact CB-CD1 4.03Å; W448-I517 HydrophobicContact CG-CD1 3.74Å; W448-W520 HydrophobicContact CB-CZ2 3.99Å; W448-W520 AromaticContact CD2-CE2 3.95Å; W448-W520 AromaticContact CD2-CZ2 3.6Å; W448-W520 HydrophobicContact CD2-CZ2 3.6Å; W448-W520 AromaticContact CD2-NE1 3.66Å; W448-W520 AromaticContact CE2-NE1 3.28Å; W448-W520 VanDerWaalsContact CE2-NE1 3.28Å; W448-W520 AromaticContact CE3-CZ2 3.89Å; W448-W520 HydrophobicContact CE3-CZ2 3.89Å; W448-W520 AromaticContact CG-CZ2 3.64Å; W448-W520 HydrophobicContact CG-CZ2 3.64Å; W448-W520 AromaticContact CH2-NE1 3.71Å; W448-W520 AromaticContact CZ2-NE1 3.31Å; W448-W520 VanDerWaalsContact CZ2-NE1 3.31Å; W448-W520 AromaticContact NE1-NE1 3.75Å
449	Y	96.8	Very high	97	Very high	16 Å²	16	49.4 Å²	49.4	6%	0.063	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-106.8	6.6	179.4	-62.2	-81.4	0	0	0	113.2	Y330 L426 Y433 T438 M441 H445 G446 D447 I517	Y330-Y449 HydrophobicContact CE2-CD1 4.22Å; Y330-Y449 HydrophobicContact CE2-CE1 4.04Å; Y330-Y449 AromaticContact CZ-CE1 3.71Å; Y330-Y449 WeakPolarHBondContact OH-CE1 3.5Å; L426-Y449 HydrophobicContact CD2-CD1 4.33Å; Y433-Y449 WeakPolarHBondContact CE2-O 3.38Å; Y433-Y449 PolarHBondContact OH-O 2.83Å; T438-Y449 HydrophobicContact CG2-CD1 4.43Å; M441-Y449 HydrophobicContact CB-CD1 3.68Å; M441-Y449 HydrophobicContact CB-CD2 3.81Å; M441-Y449 HydrophobicContact CB-CE1 4.05Å; M441-Y449 HydrophobicContact CB-CE2 4.13Å; M441-Y449 HydrophobicContact CB-CG 3.55Å; M441-Y449 HydrophobicContact CE-CE1 4.27Å; M441-Y449 HydrophobicContact CE-CE2 4.01Å; M441-Y449 HydrophobicContact CG-CD1 4.44Å; M441-Y449 HydrophobicContact CG-CE1 4.45Å; H445-Y449 HydrophobicContact CB-CD2 3.58Å; H445-Y449 HydrophobicContact CB-CE2 3.43Å; H445-Y449 VanDerWaalsContact CB-CE2 3.43Å; H445-Y449 AromaticContact CD2-CE2 3.79Å; H445-Y449 AromaticContact CG-CE2 3.78Å; G446-Y449 PolarHBondContact O-N 3.44Å; D447-Y449 PolarHBondContact O-N 3.3Å; D447-Y449 VanDerWaalsContact O-N 3.17Å; Y449-I517 HydrophobicContact CE2-CD1 3.83Å
450	V	97.7	Very high	97.1	Very high	42 Å²	42	44.8 Å²	44.8	26%	0.255	23%	0.23	S	C	.	.	S	Bend	trans	-91.1	119.4	172.1	176	0	0	0	0	107.5	A442 D447 N452 M453 T454	A442-V450 HydrophobicContact CB-CG2 3.73Å; D447-V450 PolarHBondContact O-N 3.13Å; D447-V450 VanDerWaalsContact O-N 3.1Å; V450-N452 VanDerWaalsContact C-N 3.32Å; V450-N452 WeakPolarHBondContact CG1-OD1 3.38Å; V450-N452 PolarHBondContact O-N 3.07Å; V450-N452 VanDerWaalsContact O-N 3.15Å; V450-M453 HydrophobicContact CB-CB 3.97Å; V450-M453 HydrophobicContact CB-CG 4.3Å; V450-M453 HydrophobicContact CG1-CB 3.93Å; V450-M453 HydrophobicContact CG1-CG 3.72Å; V450-M453 PolarHBondContact O-N 3.14Å; V450-T454 PolarHBondContact O-N 3.25Å
451	H	97.3	Very high	97.1	Very high	34 Å²	34	45.7 Å²	45.7	16%	0.157	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-48.1	-167.8	-179	-85.9	0	0	0	113.6	Y424 L426 P427 F428 A457	Y424-H451 AromaticContact CE2-NE2 3.78Å; Y424-H451 WeakPolarHBondContact CE2-O 3.25Å; Y424-H451 AromaticContact CZ-CE1 3.74Å; Y424-H451 AromaticContact CZ-NE2 3.89Å; Y424-H451 PolarHBondContact OH-CE1 2.93Å; Y424-H451 PolarHBondContact OH-ND1 2.96Å; Y424-H451 PolarHBondContact OH-O 3.48Å; L426-H451 PolarHBondContact O-CD2 3.36Å; P427-H451 PolarHBondContact O-CD2 2.94Å; F428-H451 AromaticContact CD2-CE1 3.57Å; F428-H451 AromaticContact CD2-NE2 3.95Å; H451-A457 WeakPolarHBondContact O-CB 3.33Å
452	N	96.4	Very high	97.1	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.4	-178.9	64.7	-15	0	0	0	114.4	V450 R461	V450-N452 VanDerWaalsContact C-N 3.32Å; V450-N452 WeakPolarHBondContact CG1-OD1 3.38Å; V450-N452 PolarHBondContact O-N 3.07Å; V450-N452 VanDerWaalsContact O-N 3.15Å; N452-R461 PolarHBondContact O-NH1 3.47Å; N452-R461 PolarHBondContact O-NH2 2.91Å
453	M	97.6	Very high	97.2	Very high	65 Å²	65	47.6 Å²	47.6	32%	0.32	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.6	-176.4	-57.6	-63.6	-75.8	0	0	114.4	D447 V450 K458	D447-M453 HydrophobicContact CB-CB 3.93Å; D447-M453 CarbonylContact O-C 3.44Å; D447-M453 VanDerWaalsContact O-C 3.31Å; V450-M453 HydrophobicContact CB-CB 3.97Å; V450-M453 HydrophobicContact CB-CG 4.3Å; V450-M453 HydrophobicContact CG1-CB 3.93Å; V450-M453 HydrophobicContact CG1-CG 3.72Å; V450-M453 PolarHBondContact O-N 3.14Å; M453-K458 WeakPolarHBondContact O-CD 3.16Å; M453-K458 WeakPolarHBondContact O-CE 3.49Å; M453-K458 PolarHBondContact O-NZ 3.2Å
454	T	96.8	Very high	97.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	20%	0.203	C	C	.	.	S	Bend	trans	-59.2	154	171.7	-168.7	0	0	0	0	111.1	Y424 L426 D447 W448 V450 R456 A457 K458	Y424-T454 HydrophobicContact CD2-CG2 3.54Å; Y424-T454 HydrophobicContact CE2-CG2 3.66Å; Y424-T454 HydrophobicContact CG-CG2 4.32Å; L426-T454 HydrophobicContact CD1-CG2 3.71Å; D447-T454 WeakPolarHBondContact O-CA 3.34Å; D447-T454 PolarHBondContact O-N 3.25Å; D447-T454 VanDerWaalsContact O-N 3.11Å; W448-T454 WeakPolarHBondContact O-CB 3.2Å; W448-T454 PolarHBondContact O-OG1 3.36Å; V450-T454 PolarHBondContact O-N 3.25Å; T454-R456 VanDerWaalsContact C-N 3.28Å; T454-R456 PolarHBondContact O-N 3Å; T454-A457 HydrophobicContact CG2-CB 3.71Å; T454-A457 WeakPolarHBondContact O-CB 3.2Å; T454-A457 PolarHBondContact O-N 3.04Å; T454-A457 VanDerWaalsContact O-N 3.15Å; T454-K458 PolarHBondContact O-N 3.03Å; T454-K458 VanDerWaalsContact O-N 3.08Å
455	T	97.4	Very high	97.4	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-55.3	-44.2	-175.2	-68.2	0	0	0	0	111.7	A457 K458 I459 L487 K500	T455-A457 PolarHBondContact O-N 3.33Å; T455-K458 WeakPolarHBondContact O-CB 3.19Å; T455-K458 PolarHBondContact O-N 2.94Å; T455-K458 VanDerWaalsContact O-N 3.15Å; T455-I459 HydrophobicContact CG2-CD1 3.54Å; T455-I459 HydrophobicContact CG2-CG1 4.1Å; T455-I459 WeakPolarHBondContact O-CG1 3.38Å; T455-I459 PolarHBondContact O-N 3.15Å; T455-L487 HydrophobicContact CG2-CB 4.07Å; T455-L487 WeakPolarHBondContact CG2-O 3.43Å; T455-L487 PolarHBondContact OG1-O 3.35Å; T455-K500 HydrophobicContact CG2-CB 3.92Å; T455-K500 WeakPolarHBondContact CG2-O 3.12Å; T455-K500 WeakPolarHBondContact OG1-CD 3.5Å
456	R	98.1	Very high	97.6	Very high	8 Å²	8	43.4 Å²	43.4	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-40.4	-179.5	-74	-177.4	-73.7	175.8	-1	112.8	C247 S248 Y424 N425 T454 K458 I459 F460 A501 I502	C247-R456 PolarHBondContact O-NH1 2.75Å; S248-R456 VanDerWaalsContact OG-CD 3.3Å; S248-R456 WeakPolarHBondContact OG-CD 3.46Å; S248-R456 PolarHBondContact OG-NH1 3.3Å; Y424-R456 HydrophobicContact CD1-CB 4.35Å; Y424-R456 HydrophobicContact CG-CB 4.05Å; Y424-R456 PolarHBondContact O-NH2 2.69Å; N425-R456 PolarHBondContact OD1-NH1 2.87Å; N425-R456 PolarHBondContact OD1-NH2 3.33Å; T454-R456 VanDerWaalsContact C-N 3.28Å; T454-R456 PolarHBondContact O-N 3Å; R456-K458 VanDerWaalsContact C-N 3.3Å; R456-K458 PolarHBondContact O-N 2.88Å; R456-I459 PolarHBondContact O-N 2.86Å; R456-F460 HydrophobicContact CB-CD2 4.47Å; R456-F460 HydrophobicContact CB-CE2 4.47Å; R456-F460 WeakPolarHBondContact O-CB 3.29Å; R456-F460 WeakPolarHBondContact O-CD2 3.41Å; R456-F460 PolarHBondContact O-N 3.21Å; R456-A501 VanDerWaalsContact CD-O 3.29Å; R456-A501 WeakPolarHBondContact CD-O 3.34Å; R456-A501 WeakPolarHBondContact CG-O 3.45Å; R456-I502 HydrophobicContact CB-CD1 4.23Å; R456-I502 HydrophobicContact CG-CD1 4.12Å
457	A	98.5	Very high	97.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-42	173.4	0	0	0	0	0	111.8	Y424 H451 T454 T455 R461	Y424-A457 HydrophobicContact CE1-CB 3.81Å; Y424-A457 HydrophobicContact CE2-CB 3.88Å; Y424-A457 VanDerWaalsContact CZ-CB 3.42Å; Y424-A457 VanDerWaalsContact OH-CB 3.31Å; Y424-A457 WeakPolarHBondContact OH-CB 3.16Å; H451-A457 WeakPolarHBondContact O-CB 3.33Å; T454-A457 HydrophobicContact CG2-CB 3.71Å; T454-A457 WeakPolarHBondContact O-CB 3.2Å; T454-A457 PolarHBondContact O-N 3.04Å; T454-A457 VanDerWaalsContact O-N 3.15Å; T455-A457 PolarHBondContact O-N 3.33Å; A457-R461 VanDerWaalsContact O-CB 3.29Å; A457-R461 WeakPolarHBondContact O-CB 3.42Å; A457-R461 PolarHBondContact O-N 2.91Å
458	K	98.7	Very high	97.8	Very high	53 Å²	53	42.8 Å²	42.8	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-43.1	177.6	-69.8	173.6	173.1	156.3	0	111.8	D447 M453 T454 T455 R456 R461 R462 L487	D447-K458 IonicContact OD2-NZ 3.96Å; D447-K458 PolarHBondContact OD2-NZ 3.02Å; M453-K458 WeakPolarHBondContact O-CD 3.16Å; M453-K458 WeakPolarHBondContact O-CE 3.49Å; M453-K458 PolarHBondContact O-NZ 3.2Å; T454-K458 PolarHBondContact O-N 3.03Å; T454-K458 VanDerWaalsContact O-N 3.08Å; T455-K458 WeakPolarHBondContact O-CB 3.19Å; T455-K458 PolarHBondContact O-N 2.94Å; T455-K458 VanDerWaalsContact O-N 3.15Å; R456-K458 VanDerWaalsContact C-N 3.3Å; R456-K458 PolarHBondContact O-N 2.88Å; K458-R461 PolarHBondContact O-N 2.89Å; K458-R462 WeakPolarHBondContact O-CB 3.44Å; K458-R462 PolarHBondContact O-N 3.33Å; K458-L487 HydrophobicContact CB-CD1 3.83Å; K458-L487 HydrophobicContact CB-CD2 4.06Å; K458-L487 HydrophobicContact CD-CD2 4.15Å
459	I	98.7	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-49.9	176.3	-66.7	168.4	0	0	0	110.2	T455 R456 R461 R462 D463 L476 Y479 L487 I502	T455-I459 HydrophobicContact CG2-CD1 3.54Å; T455-I459 HydrophobicContact CG2-CG1 4.1Å; T455-I459 WeakPolarHBondContact O-CG1 3.38Å; T455-I459 PolarHBondContact O-N 3.15Å; R456-I459 PolarHBondContact O-N 2.86Å; I459-R461 PolarHBondContact O-N 3.3Å; I459-R462 PolarHBondContact O-N 3.35Å; I459-R462 VanDerWaalsContact O-N 3.11Å; I459-D463 WeakPolarHBondContact O-CB 3.28Å; I459-D463 PolarHBondContact O-N 3.41Å; I459-L476 HydrophobicContact CG2-CD1 4.44Å; I459-Y479 HydrophobicContact CD1-CE1 4.27Å; I459-Y479 HydrophobicContact CG2-CD1 3.97Å; I459-Y479 HydrophobicContact CG2-CE1 4.1Å; I459-L487 HydrophobicContact CB-CD1 4.44Å; I459-L487 HydrophobicContact CG1-CB 4.11Å; I459-L487 HydrophobicContact CG1-CD1 3.66Å; I459-I502 HydrophobicContact CB-CD1 3.94Å; I459-I502 HydrophobicContact CB-CG1 4.44Å; I459-I502 HydrophobicContact CG2-CD1 3.71Å; I459-I502 HydrophobicContact CG2-CG1 3.71Å
460	F	98.8	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-47.4	177.2	-77.4	-54.4	0	0	0	111.8	L250 Y420 A422 Y424 R456 R462 D463 H464 L476 M477 I502	L250-F460 HydrophobicContact CB-CD1 4.48Å; L250-F460 HydrophobicContact CB-CE1 3.87Å; L250-F460 HydrophobicContact CB-CZ 4.36Å; L250-F460 HydrophobicContact CD1-CD1 4.02Å; L250-F460 HydrophobicContact CD1-CE1 4.27Å; L250-F460 HydrophobicContact CD2-CD1 4.13Å; L250-F460 HydrophobicContact CD2-CE1 4.06Å; L250-F460 HydrophobicContact CG-CD1 4.46Å; L250-F460 HydrophobicContact CG-CE1 4.3Å; Y420-F460 HydrophobicContact CE2-CB 4.25Å; A422-F460 HydrophobicContact CB-CB 4.01Å; A422-F460 HydrophobicContact CB-CD1 4.42Å; A422-F460 HydrophobicContact CB-CD2 3.57Å; A422-F460 HydrophobicContact CB-CE2 4.05Å; A422-F460 HydrophobicContact CB-CG 3.77Å; Y424-F460 AromaticContact CD1-CD2 3.81Å; Y424-F460 HydrophobicContact CD1-CD2 3.81Å; Y424-F460 HydrophobicContact CD1-CE2 4Å; Y424-F460 HydrophobicContact CE1-CD2 4.3Å; R456-F460 HydrophobicContact CB-CD2 4.47Å; R456-F460 HydrophobicContact CB-CE2 4.47Å; R456-F460 WeakPolarHBondContact O-CB 3.29Å; R456-F460 WeakPolarHBondContact O-CD2 3.41Å; R456-F460 PolarHBondContact O-N 3.21Å; F460-R462 VanDerWaalsContact C-N 3.28Å; F460-R462 PolarHBondContact O-N 3.13Å; F460-D463 PolarHBondContact O-N 2.94Å; F460-H464 WeakPolarHBondContact O-CB 3.48Å; F460-H464 PolarHBondContact O-CD2 2.79Å; F460-H464 PolarHBondContact O-N 3.45Å; F460-L476 HydrophobicContact CD1-CD2 4.35Å; F460-M477 HydrophobicContact CE1-SD 3.94Å; F460-M477 HydrophobicContact CZ-SD 4.23Å; F460-I502 HydrophobicContact CD1-CD1 4.01Å; F460-I502 HydrophobicContact CD2-CD1 3.87Å; F460-I502 HydrophobicContact CE1-CD1 3.78Å; F460-I502 HydrophobicContact CE1-CG1 4.28Å; F460-I502 HydrophobicContact CE1-CG2 4.11Å; F460-I502 HydrophobicContact CE2-CD1 3.65Å; F460-I502 HydrophobicContact CG-CD1 4.06Å; F460-I502 HydrophobicContact CZ-CD1 3.61Å; F460-I502 HydrophobicContact CZ-CG1 4.36Å; F460-I502 HydrophobicContact CZ-CG2 3.83Å
461	R	98.5	Very high	97.8	Very high	110 Å²	110	44.3 Å²	44.3	42%	0.415	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-39.2	176.3	-173.1	-175.5	-55.9	121.9	11.8	112.6	N452 A457 K458 I459 H464	N452-R461 PolarHBondContact O-NH1 3.47Å; N452-R461 PolarHBondContact O-NH2 2.91Å; A457-R461 VanDerWaalsContact O-CB 3.29Å; A457-R461 WeakPolarHBondContact O-CB 3.42Å; A457-R461 PolarHBondContact O-N 2.91Å; K458-R461 PolarHBondContact O-N 2.89Å; I459-R461 PolarHBondContact O-N 3.3Å; R461-H464 PolarHBondContact O-CD2 3.13Å
462	R	98.5	Very high	97.9	Very high	82 Å²	82	43.9 Å²	43.9	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-68.7	-43.3	178	-174.5	-171.6	65.9	-156.3	-6.1	111.4	K458 I459 F460 H465 Y479 D485	K458-R462 WeakPolarHBondContact O-CB 3.44Å; K458-R462 PolarHBondContact O-N 3.33Å; I459-R462 PolarHBondContact O-N 3.35Å; I459-R462 VanDerWaalsContact O-N 3.11Å; F460-R462 VanDerWaalsContact C-N 3.28Å; F460-R462 PolarHBondContact O-N 3.13Å; R462-H465 PolarHBondContact O-CE1 3.16Å; R462-H465 PolarHBondContact O-ND1 3.36Å; R462-Y479 PolarHBondContact NH2-OH 3.3Å; R462-D485 IonicContact CZ-OD1 3.55Å; R462-D485 IonicContact CZ-OD2 3.25Å; R462-D485 VanDerWaalsContact NH1-CG 3.34Å; R462-D485 IonicContact NH1-OD1 3.82Å; R462-D485 PolarHBondContact NH1-OD1 2.9Å; R462-D485 IonicContact NH1-OD2 2.67Å; R462-D485 PolarHBondContact NH1-OD2 3.49Å; R462-D485 VanDerWaalsContact NH1-OD2 3.1Å; R462-D485 IonicContact NH2-OD1 2.71Å; R462-D485 IonicContact NH2-OD2 3.02Å; R462-D485 PolarHBondContact NH2-OD2 3.25Å
463	D	98.6	Very high	98	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-114.5	-10.8	-160.3	-64.7	-32.2	0	0	0	115.3	I459 F460 H465 K466 L476	I459-D463 WeakPolarHBondContact O-CB 3.28Å; I459-D463 PolarHBondContact O-N 3.41Å; F460-D463 PolarHBondContact O-N 2.94Å; D463-H465 PolarHBondContact O-N 2.85Å; D463-K466 HydrophobicContact CB-CD 4.16Å; D463-K466 VanDerWaalsContact O-CB 3.29Å; D463-K466 WeakPolarHBondContact O-CB 3.39Å; D463-K466 PolarHBondContact O-N 2.81Å; D463-K466 WeakPolarHBondContact OD1-CE 3.43Å; D463-K466 IonicContact OD1-NZ 2.94Å; D463-K466 PolarHBondContact OD1-NZ 3.14Å; D463-L476 HydrophobicContact CB-CD1 3.78Å
464	H	98.3	Very high	98	Very high	30 Å²	30	37.1 Å²	37.1	14%	0.139	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.4	-176.3	75.3	96.9	0	0	0	113	K252 Y420 F460 R461 K466 V467	K252-H464 HydrophobicContact CD-CB 4.36Å; K252-H464 WeakPolarHBondContact CD-O 3.47Å; K252-H464 WeakPolarHBondContact CE-O 3.47Å; Y420-H464 HydrophobicContact CD1-CB 4.35Å; Y420-H464 AromaticContact CD1-CD2 3.79Å; Y420-H464 AromaticContact CD1-CE1 3.4Å; Y420-H464 WeakPolarHBondContact CD1-CE1 3.28Å; Y420-H464 AromaticContact CD1-CG 3.57Å; Y420-H464 AromaticContact CD1-ND1 3.31Å; Y420-H464 VanDerWaalsContact CD1-ND1 3.31Å; Y420-H464 WeakPolarHBondContact CD1-ND1 3.41Å; Y420-H464 AromaticContact CD1-NE2 3.7Å; Y420-H464 HydrophobicContact CD2-CB 4.34Å; Y420-H464 AromaticContact CE1-CD2 3.63Å; Y420-H464 AromaticContact CE1-CE1 3.77Å; Y420-H464 AromaticContact CE1-CG 3.88Å; Y420-H464 AromaticContact CE1-ND1 3.96Å; Y420-H464 AromaticContact CE1-NE2 3.57Å; Y420-H464 HydrophobicContact CG-CB 4.13Å; Y420-H464 AromaticContact CG-CG 3.83Å; Y420-H464 AromaticContact CG-ND1 3.74Å; F460-H464 WeakPolarHBondContact O-CB 3.48Å; F460-H464 PolarHBondContact O-CD2 2.79Å; F460-H464 PolarHBondContact O-N 3.45Å; R461-H464 PolarHBondContact O-CD2 3.13Å; H464-K466 PolarHBondContact O-N 2.86Å; H464-V467 WeakPolarHBondContact O-CB 3.48Å; H464-V467 PolarHBondContact O-N 3.35Å
465	H	98	Very high	98	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.537	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.7	179	70.8	-92	0	0	0	113.6	R462 D463 V467	R462-H465 PolarHBondContact O-CE1 3.16Å; R462-H465 PolarHBondContact O-ND1 3.36Å; D463-H465 PolarHBondContact O-N 2.85Å; H465-V467 PolarHBondContact O-N 2.87Å
466	K	98.5	Very high	98.1	Very high	122 Å²	122	40.5 Å²	40.5	53%	0.53	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-75.3	-14.7	175.3	-60.6	174.1	176.7	167.1	0	112.3	D463 H464 V468 S472	D463-K466 HydrophobicContact CB-CD 4.16Å; D463-K466 VanDerWaalsContact O-CB 3.29Å; D463-K466 WeakPolarHBondContact O-CB 3.39Å; D463-K466 PolarHBondContact O-N 2.81Å; D463-K466 WeakPolarHBondContact OD1-CE 3.43Å; D463-K466 IonicContact OD1-NZ 2.94Å; D463-K466 PolarHBondContact OD1-NZ 3.14Å; H464-K466 PolarHBondContact O-N 2.86Å; K466-V468 PolarHBondContact O-N 3.16Å; K466-S472 WeakPolarHBondContact O-CB 3.33Å
467	V	98.5	Very high	98.1	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.198	C	C	.	.			trans	-79	113.6	176.2	179.2	0	0	0	0	109.4	L250 K252 V254 H464 H465 S472 M473 L476	L250-V467 HydrophobicContact CD2-CG2 4.4Å; K252-V467 HydrophobicContact CB-CG1 4.41Å; K252-V467 HydrophobicContact CD-CB 4.46Å; K252-V467 HydrophobicContact CG-CB 4.07Å; K252-V467 HydrophobicContact CG-CG1 3.96Å; V254-V467 HydrophobicContact CG2-CG1 4.47Å; V254-V467 WeakPolarHBondContact CG2-O 3.26Å; H464-V467 WeakPolarHBondContact O-CB 3.48Å; H464-V467 PolarHBondContact O-N 3.35Å; H465-V467 PolarHBondContact O-N 2.87Å; V467-S472 WeakPolarHBondContact CA-OG 3.35Å; V467-M473 HydrophobicContact CG1-CB 3.67Å; V467-M473 HydrophobicContact CG1-CG 4.25Å; V467-M473 HydrophobicContact CG1-SD 3.81Å; V467-M473 HydrophobicContact CG2-SD 4.15Å; V467-L476 HydrophobicContact CG2-CB 4.05Å; V467-L476 HydrophobicContact CG2-CD2 3.58Å; V467-L476 HydrophobicContact CG2-CG 4.47Å
468	V	97.5	Very high	98.1	Very high	89 Å²	89	40.1 Å²	40.1	54%	0.539	20%	0.198	S	C	.	.			trans	-129.3	-9.3	-179.9	-61.9	0	0	0	0	113.1	V254 K466 S472	V254-V468 WeakPolarHBondContact CG1-O 3.21Å; K466-V468 PolarHBondContact O-N 3.16Å; V468-S472 PolarHBondContact N-OG 3.36Å
469	D	96.7	Very high	98.1	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	20%	0.195	S	C	.	.	S	Bend	trans	-162.8	-178.4	-176.8	55.2	24.8	0	0	0	110.9	P471 S472 M473	D469-P471 WeakPolarHBondContact OD1-CD 3.44Å; D469-S472 PolarHBondContact N-OG 2.75Å; D469-S472 PolarHBondContact O-OG 3.26Å; D469-S472 VanDerWaalsContact O-OG 3.06Å; D469-S472 WeakPolarHBondContact OD1-CB 3.46Å; D469-S472 PolarHBondContact OD1-N 3.1Å; D469-S472 PolarHBondContact OD1-OG 3.21Å; D469-M473 WeakPolarHBondContact O-CB 3.36Å; D469-M473 PolarHBondContact O-N 3.18Å
470	F	96.5	Very high	98.1	Very high	14 Å²	14	39.7 Å²	39.7	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-45.9	176.7	-77	-71.7	0	0	0	113.6	Y259 S472 M473 M474 I532 D534 M537 I544 L604	Y259-F470 AromaticContact CD1-CD1 3.93Å; Y259-F470 HydrophobicContact CD1-CD1 3.93Å; Y259-F470 AromaticContact CD1-CE1 3.86Å; Y259-F470 HydrophobicContact CD1-CE1 3.86Å; Y259-F470 HydrophobicContact CD1-CG 4.39Å; Y259-F470 HydrophobicContact CD1-CZ 4.26Å; Y259-F470 AromaticContact CE1-CD1 3.77Å; Y259-F470 HydrophobicContact CE1-CD1 3.77Å; Y259-F470 AromaticContact CE1-CD2 3.81Å; Y259-F470 HydrophobicContact CE1-CD2 3.81Å; Y259-F470 AromaticContact CE1-CE1 3.81Å; Y259-F470 HydrophobicContact CE1-CE1 3.81Å; Y259-F470 AromaticContact CE1-CE2 3.85Å; Y259-F470 HydrophobicContact CE1-CE2 3.85Å; Y259-F470 AromaticContact CE1-CG 3.79Å; Y259-F470 HydrophobicContact CE1-CG 3.79Å; Y259-F470 AromaticContact CE1-CZ 3.86Å; Y259-F470 HydrophobicContact CE1-CZ 3.86Å; F470-S472 PolarHBondContact O-N 2.61Å; F470-M473 PolarHBondContact O-N 2.62Å; F470-M474 WeakPolarHBondContact O-CB 3.42Å; F470-M474 PolarHBondContact O-N 2.87Å; F470-I532 HydrophobicContact CD1-CB 4.29Å; F470-I532 HydrophobicContact CD1-CG2 3.69Å; F470-I532 HydrophobicContact CE1-CB 4.45Å; F470-I532 HydrophobicContact CE1-CG2 3.83Å; F470-D534 HydrophobicContact CE1-CB 4.35Å; F470-D534 HydrophobicContact CE2-CB 4.33Å; F470-D534 HydrophobicContact CZ-CB 3.66Å; F470-M537 HydrophobicContact CE1-SD 4.01Å; F470-M537 HydrophobicContact CZ-CG 4.45Å; F470-M537 HydrophobicContact CZ-SD 3.69Å; F470-I544 HydrophobicContact CB-CD1 3.92Å; F470-I544 HydrophobicContact CD1-CD1 3.41Å; F470-I544 VanDerWaalsContact CD1-CD1 3.41Å; F470-I544 HydrophobicContact CD1-CG1 4.26Å; F470-I544 HydrophobicContact CD2-CD1 4.13Å; F470-I544 HydrophobicContact CE1-CD1 3.8Å; F470-I544 HydrophobicContact CE1-CG1 4.27Å; F470-I544 HydrophobicContact CE2-CD1 4.46Å; F470-I544 HydrophobicContact CG-CD1 3.57Å; F470-I544 HydrophobicContact CZ-CD1 4.3Å; F470-L604 HydrophobicContact CD2-CD2 3.34Å; F470-L604 HydrophobicContact CE2-CD2 3.66Å; F470-L604 HydrophobicContact CG-CD2 4.23Å
471	P	96.7	Very high	98.1	Very high	40 Å²	40	41.5 Å²	41.5	26%	0.26	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-46.3	176.6	-27	33.5	0	0	0	113.9	D469 M474 S475 L604 F605	D469-P471 WeakPolarHBondContact OD1-CD 3.44Å; P471-M474 PolarHBondContact O-N 3.23Å; P471-S475 WeakPolarHBondContact O-CB 3.37Å; P471-S475 PolarHBondContact O-N 2.92Å; P471-L604 WeakPolarHBondContact CD-O 3.48Å; P471-L604 WeakPolarHBondContact CG-O 3.01Å; P471-F605 HydrophobicContact CB-CD1 3.72Å; P471-F605 HydrophobicContact CB-CE1 3.96Å; P471-F605 HydrophobicContact CG-CB 4.38Å; P471-F605 HydrophobicContact CG-CD1 3.55Å; P471-F605 HydrophobicContact CG-CE1 4Å; P471-F605 HydrophobicContact CG-CG 4.03Å
472	S	98	Very high	98.1	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-69.9	-35.6	179	56.7	0	0	0	0	112.6	K466 V467 V468 D469 F470 S475 L476	K466-S472 WeakPolarHBondContact O-CB 3.33Å; V467-S472 WeakPolarHBondContact CA-OG 3.35Å; V468-S472 PolarHBondContact N-OG 3.36Å; D469-S472 PolarHBondContact N-OG 2.75Å; D469-S472 PolarHBondContact O-OG 3.26Å; D469-S472 VanDerWaalsContact O-OG 3.06Å; D469-S472 WeakPolarHBondContact OD1-CB 3.46Å; D469-S472 PolarHBondContact OD1-N 3.1Å; D469-S472 PolarHBondContact OD1-OG 3.21Å; F470-S472 PolarHBondContact O-N 2.61Å; S472-S475 PolarHBondContact O-N 2.87Å; S472-L476 PolarHBondContact O-N 2.88Å
473	M	98.3	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-46.7	170.6	-173.5	57.3	137.9	0	0	110.9	L250 K252 S261 V467 D469 F470 S475 L476 M477 I532	L250-M473 HydrophobicContact CB-CE 4.16Å; L250-M473 HydrophobicContact CD2-CE 4.12Å; L250-M473 HydrophobicContact CD2-SD 3.77Å; L250-M473 HydrophobicContact CG-CE 4.03Å; L250-M473 HydrophobicContact CG-SD 4.33Å; L250-M473 VanDerWaalsContact O-CE 3.32Å; L250-M473 WeakPolarHBondContact O-CE 3.36Å; K252-M473 HydrophobicContact CB-CE 4.06Å; S261-M473 WeakPolarHBondContact OG-CE 3.32Å; V467-M473 HydrophobicContact CG1-CB 3.67Å; V467-M473 HydrophobicContact CG1-CG 4.25Å; V467-M473 HydrophobicContact CG1-SD 3.81Å; V467-M473 HydrophobicContact CG2-SD 4.15Å; D469-M473 WeakPolarHBondContact O-CB 3.36Å; D469-M473 PolarHBondContact O-N 3.18Å; F470-M473 PolarHBondContact O-N 2.62Å; M473-S475 PolarHBondContact O-N 3.31Å; M473-L476 PolarHBondContact O-N 3Å; M473-M477 WeakPolarHBondContact O-CB 3.4Å; M473-M477 VanDerWaalsContact O-CG 3.27Å; M473-M477 WeakPolarHBondContact O-CG 3.44Å; M473-M477 PolarHBondContact O-N 2.72Å; M473-M477 HydrophobicContact SD-CG 4.18Å; M473-I532 HydrophobicContact CB-CD1 4.12Å; M473-I532 HydrophobicContact CB-CG2 4.39Å; M473-I532 HydrophobicContact CG-CD1 3.87Å; M473-I532 HydrophobicContact CG-CG1 4.32Å; M473-I532 HydrophobicContact CG-CG2 3.71Å
474	M	98.1	Very high	97.9	Very high	10 Å²	10	43 Å²	43	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.3	-173.9	61.5	78.6	0	0	111.3	F470 P471 L476 M477 R478 A530 I532 I544 I546 P579 F605	F470-M474 WeakPolarHBondContact O-CB 3.42Å; F470-M474 PolarHBondContact O-N 2.87Å; P471-M474 PolarHBondContact O-N 3.23Å; M474-L476 VanDerWaalsContact C-N 3.35Å; M474-L476 PolarHBondContact O-N 2.67Å; M474-M477 PolarHBondContact O-N 2.79Å; M474-R478 HydrophobicContact CG-CG 4.13Å; M474-R478 VanDerWaalsContact O-CB 3.29Å; M474-R478 WeakPolarHBondContact O-CB 3.41Å; M474-R478 WeakPolarHBondContact O-CG 3.49Å; M474-R478 PolarHBondContact O-N 2.84Å; M474-R478 HydrophobicContact SD-CG 3.8Å; M474-A530 HydrophobicContact SD-CB 3.78Å; M474-I532 VanDerWaalsContact CA-CD1 3.49Å; M474-I532 HydrophobicContact CB-CD1 3.67Å; M474-I532 HydrophobicContact CE-CD1 3.56Å; M474-I532 HydrophobicContact CE-CG1 4.1Å; M474-I532 HydrophobicContact CG-CD1 4.37Å; M474-I532 HydrophobicContact SD-CD1 3.9Å; M474-I544 HydrophobicContact CE-CG2 3.83Å; M474-I546 HydrophobicContact CE-CB 4.33Å; M474-I546 HydrophobicContact CE-CG2 3.91Å; M474-I546 HydrophobicContact SD-CB 4.44Å; M474-I546 HydrophobicContact SD-CG2 3.54Å; M474-I546 VanDerWaalsContact SD-CG2 3.54Å; M474-P579 HydrophobicContact CE-CB 4.28Å; M474-F605 HydrophobicContact CB-CE1 4.41Å
475	S	98.2	Very high	97.8	Very high	67 Å²	67	41.9 Å²	41.9	47%	0.469	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-45	177.8	-176.6	0	0	0	0	112.2	P471 S472 M473 R478 Y479	P471-S475 WeakPolarHBondContact O-CB 3.37Å; P471-S475 PolarHBondContact O-N 2.92Å; S472-S475 PolarHBondContact O-N 2.87Å; M473-S475 PolarHBondContact O-N 3.31Å; S475-R478 CarbonylContact O-C 3.51Å; S475-R478 PolarHBondContact O-N 2.75Å; S475-Y479 PolarHBondContact O-N 3.1Å
476	L	98.7	Very high	97.8	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-42.6	177.5	179.5	56.8	0	0	0	112.1	L250 I459 F460 D463 V467 S472 M473 M474 R478 Y479 I502	L250-L476 HydrophobicContact CD2-CD2 3.61Å; I459-L476 HydrophobicContact CG2-CD1 4.44Å; F460-L476 HydrophobicContact CD1-CD2 4.35Å; D463-L476 HydrophobicContact CB-CD1 3.78Å; V467-L476 HydrophobicContact CG2-CB 4.05Å; V467-L476 HydrophobicContact CG2-CD2 3.58Å; V467-L476 HydrophobicContact CG2-CG 4.47Å; S472-L476 PolarHBondContact O-N 2.88Å; M473-L476 PolarHBondContact O-N 3Å; M474-L476 VanDerWaalsContact C-N 3.35Å; M474-L476 PolarHBondContact O-N 2.67Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 3.16Å; L476-Y479 WeakPolarHBondContact O-CB 3.47Å; L476-Y479 PolarHBondContact O-N 2.86Å; L476-Y479 VanDerWaalsContact O-N 3.09Å; L476-I502 HydrophobicContact CD1-CG1 4.38Å
477	M	98.8	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-30	180	-65.8	-53.9	-79.3	0	0	111.8	S248 L250 S261 V263 F460 M473 M474 Y479 I502 S503 A530	S248-M477 WeakPolarHBondContact O-CE 3.32Å; L250-M477 HydrophobicContact CB-CE 4.16Å; L250-M477 HydrophobicContact CB-SD 3.64Å; L250-M477 HydrophobicContact CD2-SD 4.4Å; S261-M477 WeakPolarHBondContact OG-CE 3.17Å; S261-M477 WeakPolarHBondContact OG-CG 3.15Å; S261-M477 PolarHBondContact OG-SD 3.38Å; S261-M477 VanDerWaalsContact OG-SD 3.37Å; V263-M477 HydrophobicContact CG2-CB 3.76Å; V263-M477 HydrophobicContact CG2-CE 3.74Å; V263-M477 WeakPolarHBondContact CG2-O 3.25Å; F460-M477 HydrophobicContact CE1-SD 3.94Å; F460-M477 HydrophobicContact CZ-SD 4.23Å; M473-M477 WeakPolarHBondContact O-CB 3.4Å; M473-M477 VanDerWaalsContact O-CG 3.27Å; M473-M477 WeakPolarHBondContact O-CG 3.44Å; M473-M477 PolarHBondContact O-N 2.72Å; M473-M477 HydrophobicContact SD-CG 4.18Å; M474-M477 PolarHBondContact O-N 2.79Å; M477-Y479 VanDerWaalsContact C-N 3.29Å; M477-Y479 PolarHBondContact O-N 3.33Å; M477-I502 WeakPolarHBondContact O-CG2 3.32Å; M477-I502 HydrophobicContact SD-CG2 4.18Å; M477-S503 WeakPolarHBondContact O-CB 3.43Å; M477-A530 HydrophobicContact CB-CB 4.38Å
478	R	98.5	Very high	97.8	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.3	173	-62.3	-69.6	-72.8	173.4	-17.7	113.4	M474 S475 L476 N480 A530 I546 G548 P549 T550 D552	M474-R478 HydrophobicContact CG-CG 4.13Å; M474-R478 VanDerWaalsContact O-CB 3.29Å; M474-R478 WeakPolarHBondContact O-CB 3.41Å; M474-R478 WeakPolarHBondContact O-CG 3.49Å; M474-R478 PolarHBondContact O-N 2.84Å; M474-R478 HydrophobicContact SD-CG 3.8Å; S475-R478 CarbonylContact O-C 3.51Å; S475-R478 PolarHBondContact O-N 2.75Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 3.16Å; R478-N480 PolarHBondContact O-N 3.26Å; R478-A530 HydrophobicContact CG-CB 4.43Å; R478-I546 HydrophobicContact CG-CG2 4.48Å; R478-G548 PolarHBondContact NH1-O 3.07Å; R478-G548 PolarHBondContact NH2-O 3.26Å; R478-P549 VanDerWaalsContact NH2-C 3.26Å; R478-P549 PolarHBondContact NH2-O 3.4Å; R478-T550 WeakPolarHBondContact O-CB 3.24Å; R478-T550 WeakPolarHBondContact O-CG2 3.17Å; R478-T550 PolarHBondContact O-OG1 2.89Å; R478-D552 WeakPolarHBondContact CB-OD2 3.5Å
479	Y	98.7	Very high	97.8	Very high	42 Å²	42	35.6 Å²	35.6	17%	0.165	21%	0.206	C	C	.	.			trans	-65.4	122.6	-169.6	-179.4	-102.8	0	0	0	113.5	I459 R462 S475 L476 M477 D481 D485 I502 S503	I459-Y479 HydrophobicContact CD1-CE1 4.27Å; I459-Y479 HydrophobicContact CG2-CD1 3.97Å; I459-Y479 HydrophobicContact CG2-CE1 4.1Å; R462-Y479 PolarHBondContact NH2-OH 3.3Å; S475-Y479 PolarHBondContact O-N 3.1Å; L476-Y479 WeakPolarHBondContact O-CB 3.47Å; L476-Y479 PolarHBondContact O-N 2.86Å; L476-Y479 VanDerWaalsContact O-N 3.09Å; M477-Y479 VanDerWaalsContact C-N 3.29Å; M477-Y479 PolarHBondContact O-N 3.33Å; Y479-D481 HydrophobicContact CE2-CB 4.01Å; Y479-D485 VanDerWaalsContact CE1-OD2 3.25Å; Y479-D485 WeakPolarHBondContact CE1-OD2 3.38Å; Y479-D485 PolarHBondContact OH-OD2 3.39Å; Y479-I502 HydrophobicContact CD1-CG1 4.41Å; Y479-I502 PolarHBondContact O-N 2.89Å; Y479-S503 PolarHBondContact O-N 3.49Å
480	N	98.6	Very high	97.7	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	19%	0.194	C	C	.	.			trans	-154.3	108.9	166.2	-166.9	-26.7	0	0	0	109.9	R478 F482 S498 A501 S503 R505 T550 L554	R478-N480 PolarHBondContact O-N 3.26Å; N480-F482 WeakPolarHBondContact OD1-CB 3.14Å; N480-F482 WeakPolarHBondContact OD1-CD1 3.29Å; N480-F482 PolarHBondContact OD1-N 3.03Å; N480-S498 PolarHBondContact ND2-O 2.84Å; N480-A501 HydrophobicContact CB-CB 3.74Å; N480-A501 WeakPolarHBondContact ND2-CB 3.41Å; N480-S503 WeakPolarHBondContact CB-O 3.11Å; N480-S503 PolarHBondContact ND2-O 3.13Å; N480-R505 PolarHBondContact ND2-N 3.38Å; N480-T550 HydrophobicContact CB-CG2 3.73Å; N480-L554 HydrophobicContact CB-CD1 3.73Å
481	D	97.9	Very high	97.6	Very high	37 Å²	37	38 Å²	38	20%	0.198	23%	0.227	C	C	.	.			trans	-127.8	47	175	-172.8	19.7	0	0	0	109.9	Y479 M483 N484 D485	Y479-D481 HydrophobicContact CE2-CB 4.01Å; D481-M483 PolarHBondContact O-N 3.39Å; D481-N484 PolarHBondContact O-N 3.45Å; D481-N484 PolarHBondContact OD1-ND2 2.95Å; D481-D485 WeakPolarHBondContact O-CB 3.24Å; D481-D485 PolarHBondContact O-N 2.88Å
482	F	97.8	Very high	97.5	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	-164.1	73.9	-80	0	0	0	116.2	N480 Y496 S498 L508 L554	N480-F482 WeakPolarHBondContact OD1-CB 3.14Å; N480-F482 WeakPolarHBondContact OD1-CD1 3.29Å; N480-F482 PolarHBondContact OD1-N 3.03Å; F482-Y496 AromaticContact CD2-CD2 3.53Å; F482-Y496 HydrophobicContact CD2-CD2 3.53Å; F482-Y496 HydrophobicContact CD2-CE2 4.14Å; F482-Y496 HydrophobicContact CD2-CG 4.24Å; F482-Y496 AromaticContact CE2-CD2 3.5Å; F482-Y496 HydrophobicContact CE2-CD2 3.5Å; F482-Y496 AromaticContact CE2-CE2 3.64Å; F482-Y496 HydrophobicContact CE2-CE2 3.64Å; F482-Y496 WeakPolarHBondContact O-CB 3.24Å; F482-S498 VanDerWaalsContact CG-CA 3.46Å; F482-L508 HydrophobicContact CE1-CB 4.27Å; F482-L508 HydrophobicContact CE1-CD1 4.09Å; F482-L508 HydrophobicContact CZ-CB 4.07Å; F482-L554 HydrophobicContact CD1-CD1 4.45Å; F482-L554 HydrophobicContact CD1-CD2 4.06Å; F482-L554 HydrophobicContact CE1-CD1 4.5Å; F482-L554 HydrophobicContact CE1-CD2 3.75Å
483	M	96.3	Very high	97.5	Very high	104 Å²	104	42.3 Å²	42.3	51%	0.512	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.9	177.4	-60.3	-175	-159.9	0	0	112.1	D481 Y496	D481-M483 PolarHBondContact O-N 3.39Å; M483-Y496 HydrophobicContact CG-CE2 4.4Å
484	N	96.9	Very high	97.4	Very high	121 Å²	121	43.9 Å²	43.9	65%	0.647	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-25.4	-174	-53	-62	0	0	0	112.9	D481 P486	D481-N484 PolarHBondContact O-N 3.45Å; D481-N484 PolarHBondContact OD1-ND2 2.95Å; N484-P486 VanDerWaalsContact O-CD 3.32Å; N484-P486 WeakPolarHBondContact O-CD 3.43Å
485	D	97.8	Very high	97.4	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	27%	0.274	C	S	.	.			trans	-74.3	116.2	178.9	-166.8	-27.4	0	0	0	111	R462 Y479 D481 L487 S488	R462-D485 IonicContact CZ-OD1 3.55Å; R462-D485 IonicContact CZ-OD2 3.25Å; R462-D485 VanDerWaalsContact NH1-CG 3.34Å; R462-D485 IonicContact NH1-OD1 3.82Å; R462-D485 PolarHBondContact NH1-OD1 2.9Å; R462-D485 IonicContact NH1-OD2 2.67Å; R462-D485 PolarHBondContact NH1-OD2 3.49Å; R462-D485 VanDerWaalsContact NH1-OD2 3.1Å; R462-D485 IonicContact NH2-OD1 2.71Å; R462-D485 IonicContact NH2-OD2 3.02Å; R462-D485 PolarHBondContact NH2-OD2 3.25Å; Y479-D485 VanDerWaalsContact CE1-OD2 3.25Å; Y479-D485 WeakPolarHBondContact CE1-OD2 3.38Å; Y479-D485 PolarHBondContact OH-OD2 3.39Å; D481-D485 WeakPolarHBondContact O-CB 3.24Å; D481-D485 PolarHBondContact O-N 2.88Å; D485-L487 PolarHBondContact O-N 3.17Å; D485-L487 VanDerWaalsContact O-N 3.1Å; D485-L487 VanDerWaalsContact OD1-CB 3.32Å; D485-L487 WeakPolarHBondContact OD1-CB 3.4Å; D485-L487 PolarHBondContact OD1-N 2.93Å; D485-S488 WeakPolarHBondContact O-CB 3.36Å; D485-S488 PolarHBondContact O-N 2.65Å
486	P	97.8	Very high	97.3	Very high	103 Å²	103	47.9 Å²	47.9	67%	0.669	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22	179.1	25.8	-35.3	0	0	0	113.2	N484 S488 A489	N484-P486 VanDerWaalsContact O-CD 3.32Å; N484-P486 WeakPolarHBondContact O-CD 3.43Å; P486-S488 PolarHBondContact O-N 3.46Å; P486-A489 WeakPolarHBondContact O-CB 3.28Å; P486-A489 PolarHBondContact O-N 3.19Å
487	L	98	Very high	97.3	Very high	44 Å²	44	47.3 Å²	47.3	23%	0.23	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72.6	-18.5	175.4	-60.9	-178.8	0	0	0	112.9	T455 K458 I459 D485	T455-L487 HydrophobicContact CG2-CB 4.07Å; T455-L487 WeakPolarHBondContact CG2-O 3.43Å; T455-L487 PolarHBondContact OG1-O 3.35Å; K458-L487 HydrophobicContact CB-CD1 3.83Å; K458-L487 HydrophobicContact CB-CD2 4.06Å; K458-L487 HydrophobicContact CD-CD2 4.15Å; I459-L487 HydrophobicContact CB-CD1 4.44Å; I459-L487 HydrophobicContact CG1-CB 4.11Å; I459-L487 HydrophobicContact CG1-CD1 3.66Å; D485-L487 PolarHBondContact O-N 3.17Å; D485-L487 VanDerWaalsContact O-N 3.1Å; D485-L487 VanDerWaalsContact OD1-CB 3.32Å; D485-L487 WeakPolarHBondContact OD1-CB 3.4Å; D485-L487 PolarHBondContact OD1-N 2.93Å
488	S	97.6	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-85.7	-6.3	175.8	-57.2	0	0	0	0	113.8	D485 P486 T497 K500	D485-S488 WeakPolarHBondContact O-CB 3.36Å; D485-S488 PolarHBondContact O-N 2.65Å; P486-S488 PolarHBondContact O-N 3.46Å; S488-T497 PolarHBondContact O-N 3.41Å; S488-K500 WeakPolarHBondContact CB-O 3.37Å; S488-K500 PolarHBondContact OG-O 3.23Å
489	A	97.1	Very high	97.2	Very high	50 Å²	50	47.5 Å²	47.5	41%	0.413	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-61.6	146.1	175.8	0	0	0	0	0	112.4	P486 P495 K500	P486-A489 WeakPolarHBondContact O-CB 3.28Å; P486-A489 PolarHBondContact O-N 3.19Å; A489-P495 WeakPolarHBondContact CA-O 3.25Å; A489-K500 PolarHBondContact O-NZ 3.37Å
490	C	95.2	Very high	97.1	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.088	26%	0.261	C	S	.	.			trans	-141.7	158.9	171.6	50	0	0	0	0	112.9	C492 P495 Y496 T497 K500 W520	C490-C492 VanDerWaalsContact CA-SG 3.59Å; C490-C492 HydrophobicContact CB-CB 3.99Å; C490-C492 WeakPolarHBondContact CB-SG 3.36Å; C490-C492 PolarHBondContact O-N 3.4Å; C490-C492 PolarHBondContact O-SG 3.34Å; C490-C492 WeakPolarHBondContact SG-CB 3.17Å; C490-C492 CovalentContact SG-SG 2.02Å; C490-C492 PolarHBondContact SG-SG 3.45Å; C490-P495 PolarHBondContact N-O 2.86Å; C490-P495 CarbonylContact O-C 3.41Å; C490-Y496 VanDerWaalsContact SG-C 3.59Å; C490-T497 VanDerWaalsContact SG-CG2 3.57Å; C490-K500 HydrophobicContact CB-CD 4.38Å; C490-W520 HydrophobicContact CB-CE3 3.92Å; C490-W520 HydrophobicContact CB-CH2 4.33Å; C490-W520 HydrophobicContact CB-CZ3 3.6Å
491	P	94.6	Very high	97.1	Very high	115 Å²	115	46.4 Å²	46.4	75%	0.747	26%	0.26	S	S	*	.	S	Bend	trans	-74.4	65.7	168.3	32.3	-35	0	0	0	109.7	P516	P491-P516 HydrophobicContact CG-CG 4.37Å
492	C	95.7	Very high	97.1	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.095	25%	0.25	C	S	.	.	S	Bend	trans	-137.3	171.5	-170.6	55.4	0	0	0	0	109	C490 P494 P495 Y496 Q514 Y515	C490-C492 VanDerWaalsContact CA-SG 3.59Å; C490-C492 HydrophobicContact CB-CB 3.99Å; C490-C492 WeakPolarHBondContact CB-SG 3.36Å; C490-C492 PolarHBondContact O-N 3.4Å; C490-C492 PolarHBondContact O-SG 3.34Å; C490-C492 WeakPolarHBondContact SG-CB 3.17Å; C490-C492 CovalentContact SG-SG 2.02Å; C490-C492 PolarHBondContact SG-SG 3.45Å; C492-P494 CarbonylContact C-O 3.54Å; C492-P494 CarbonylContact O-C 3.53Å; C492-P494 PolarHBondContact SG-O 2.99Å; C492-P495 WeakPolarHBondContact O-CA 3.48Å; C492-P495 VanDerWaalsContact SG-C 3.52Å; C492-Y496 PolarHBondContact SG-N 3.14Å; C492-Y496 VanDerWaalsContact SG-N 3.39Å; C492-Q514 CarbonylContact C-O 3.55Å; C492-Q514 WeakPolarHBondContact CA-O 3.05Å; C492-Q514 WeakPolarHBondContact CB-O 3.1Å; C492-Y515 HydrophobicContact CB-CD1 4.09Å
493	K	97.1	Very high	97.2	Very high	141 Å²	141	44.5 Å²	44.5	61%	0.613	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-127.7	116	172.3	-66.6	-179.1	-179.6	175.7	0	108.8	G513 Q514	K493-G513 CarbonylContact O-C 3.37Å; K493-G513 WeakPolarHBondContact O-CA 2.94Å; K493-Q514 HydrophobicContact CB-CB 4.24Å; K493-Q514 PolarHBondContact N-O 3.27Å; K493-Q514 PolarHBondContact O-N 3.47Å
494	P	96.9	Very high	97.3	Very high	32 Å²	32	39.5 Å²	39.5	21%	0.208	23%	0.225	C	C	.	.	S	Bend	cis	-58.9	164.5	-5.7	28.4	-36.6	0	0	0	112.8	C492 Y496	C492-P494 CarbonylContact C-O 3.54Å; C492-P494 CarbonylContact O-C 3.53Å; C492-P494 PolarHBondContact SG-O 2.99Å; P494-Y496 HydrophobicContact CB-CD2 4.26Å; P494-Y496 HydrophobicContact CB-CE1 4.08Å; P494-Y496 HydrophobicContact CB-CE2 3.81Å; P494-Y496 HydrophobicContact CG-CD2 4.07Å; P494-Y496 HydrophobicContact CG-CE2 3.66Å; P494-Y496 PolarHBondContact O-N 2.83Å
495	P	96.9	Very high	97.3	Very high	85 Å²	85	33.9 Å²	33.9	55%	0.552	20%	0.195	S	C	*	.	S	Bend	trans	-75.4	22.9	-170.8	33.7	-38	0	0	0	114.7	A489 C490 C492	A489-P495 WeakPolarHBondContact CA-O 3.25Å; C490-P495 PolarHBondContact N-O 2.86Å; C490-P495 CarbonylContact O-C 3.41Å; C492-P495 WeakPolarHBondContact O-CA 3.48Å; C492-P495 VanDerWaalsContact SG-C 3.52Å
496	Y	96.7	Very high	97.3	Very high	77 Å²	77	33.5 Å²	33.5	30%	0.302	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-146.9	162.5	-179.7	48.5	-108.6	0	0	0	110.1	F482 M483 C490 C492 P494	F482-Y496 AromaticContact CD2-CD2 3.53Å; F482-Y496 HydrophobicContact CD2-CD2 3.53Å; F482-Y496 HydrophobicContact CD2-CE2 4.14Å; F482-Y496 HydrophobicContact CD2-CG 4.24Å; F482-Y496 AromaticContact CE2-CD2 3.5Å; F482-Y496 HydrophobicContact CE2-CD2 3.5Å; F482-Y496 AromaticContact CE2-CE2 3.64Å; F482-Y496 HydrophobicContact CE2-CE2 3.64Å; F482-Y496 WeakPolarHBondContact O-CB 3.24Å; M483-Y496 HydrophobicContact CG-CE2 4.4Å; C490-Y496 VanDerWaalsContact SG-C 3.59Å; C492-Y496 PolarHBondContact SG-N 3.14Å; C492-Y496 VanDerWaalsContact SG-N 3.39Å; P494-Y496 HydrophobicContact CB-CD2 4.26Å; P494-Y496 HydrophobicContact CB-CE1 4.08Å; P494-Y496 HydrophobicContact CB-CE2 3.81Å; P494-Y496 HydrophobicContact CG-CD2 4.07Å; P494-Y496 HydrophobicContact CG-CE2 3.66Å; P494-Y496 PolarHBondContact O-N 2.83Å
497	T	97.8	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.			trans	-141.6	136.7	171	176.4	0	0	0	0	110	S488 C490 N499 K500 N509 W520	S488-T497 PolarHBondContact O-N 3.41Å; C490-T497 VanDerWaalsContact SG-CG2 3.57Å; T497-N499 HydrophobicContact CG2-CB 4.36Å; T497-N499 PolarHBondContact O-N 3.18Å; T497-N499 WeakPolarHBondContact OG1-CB 3.38Å; T497-N499 PolarHBondContact OG1-N 2.88Å; T497-K500 HydrophobicContact CG2-CB 3.82Å; T497-K500 HydrophobicContact CG2-CD 3.77Å; T497-K500 HydrophobicContact CG2-CG 3.5Å; T497-K500 PolarHBondContact O-N 3.32Å; T497-N509 PolarHBondContact OG1-ND2 3.16Å; T497-N509 PolarHBondContact OG1-OD1 2.81Å; T497-W520 HydrophobicContact CG2-CB 3.99Å; T497-W520 HydrophobicContact CG2-CD2 4.19Å; T497-W520 HydrophobicContact CG2-CG 3.97Å; T497-W520 PolarHBondContact OG1-O 3.17Å
498	S	97.8	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.3	173.9	62.8	0	0	0	0	113.6	N480 F482 K500 A504 R505 N509	N480-S498 PolarHBondContact ND2-O 2.84Å; F482-S498 VanDerWaalsContact CG-CA 3.46Å; S498-K500 VanDerWaalsContact C-N 3.31Å; S498-A504 WeakPolarHBondContact O-CA 3.41Å; S498-R505 WeakPolarHBondContact CB-O 3.45Å; S498-R505 PolarHBondContact O-N 3.32Å; S498-R505 PolarHBondContact OG-O 2.96Å; S498-N509 WeakPolarHBondContact CB-OD1 3.11Å; S498-N509 PolarHBondContact N-OD1 3.3Å; S498-N509 PolarHBondContact OG-ND2 2.97Å; S498-N509 VanDerWaalsContact OG-ND2 3.11Å; S498-N509 PolarHBondContact OG-OD1 2.89Å
499	N	97.5	Very high	97.3	Very high	5 Å²	5	30 Å²	30	3%	0.027	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-28	173.8	-169.1	-101	0	0	0	112	W265 T497 A501 D506 S519	W265-N499 VanDerWaalsContact CH2-O 3.24Å; W265-N499 WeakPolarHBondContact CH2-O 3.09Å; T497-N499 HydrophobicContact CG2-CB 4.36Å; T497-N499 PolarHBondContact O-N 3.18Å; T497-N499 WeakPolarHBondContact OG1-CB 3.38Å; T497-N499 PolarHBondContact OG1-N 2.88Å; N499-A501 VanDerWaalsContact C-N 3.25Å; N499-A501 PolarHBondContact O-N 2.04Å; N499-D506 WeakPolarHBondContact CA-OD1 3.31Å; N499-D506 VanDerWaalsContact CB-OD1 3.23Å; N499-D506 WeakPolarHBondContact CB-OD1 3.5Å; N499-D506 PolarHBondContact ND2-OD1 2.81Å; N499-D506 PolarHBondContact ND2-OD2 2.84Å; N499-S519 PolarHBondContact ND2-O 3.25Å; N499-S519 VanDerWaalsContact ND2-O 3.17Å
500	K	97.3	Very high	97.2	Very high	23 Å²	23	31.1 Å²	31.1	10%	0.1	17%	0.167	C	C	.	.	S	Bend	trans	-84.6	63.4	-177.6	-80.9	-172.6	169.1	-160.3	0	111.4	W448 T455 S488 A489 C490 T497 S498	W448-K500 HydrophobicContact CE3-CG 4.36Å; W448-K500 HydrophobicContact CH2-CG 4.21Å; W448-K500 HydrophobicContact CZ3-CG 3.71Å; T455-K500 HydrophobicContact CG2-CB 3.92Å; T455-K500 WeakPolarHBondContact CG2-O 3.12Å; T455-K500 WeakPolarHBondContact OG1-CD 3.5Å; S488-K500 WeakPolarHBondContact CB-O 3.37Å; S488-K500 PolarHBondContact OG-O 3.23Å; A489-K500 PolarHBondContact O-NZ 3.37Å; C490-K500 HydrophobicContact CB-CD 4.38Å; T497-K500 HydrophobicContact CG2-CB 3.82Å; T497-K500 HydrophobicContact CG2-CD 3.77Å; T497-K500 HydrophobicContact CG2-CG 3.5Å; T497-K500 PolarHBondContact O-N 3.32Å; S498-K500 VanDerWaalsContact C-N 3.31Å
501	A	98.2	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-146.6	177.7	-179.6	0	0	0	0	0	111	W265 R456 N480 N499	W265-A501 WeakPolarHBondContact CH2-O 3.46Å; W265-A501 VanDerWaalsContact CZ2-O 3.24Å; W265-A501 WeakPolarHBondContact CZ2-O 3.36Å; R456-A501 VanDerWaalsContact CD-O 3.29Å; R456-A501 WeakPolarHBondContact CD-O 3.34Å; R456-A501 WeakPolarHBondContact CG-O 3.45Å; N480-A501 HydrophobicContact CB-CB 3.74Å; N480-A501 WeakPolarHBondContact ND2-CB 3.41Å; N499-A501 VanDerWaalsContact C-N 3.25Å; N499-A501 PolarHBondContact O-N 2.04Å
502	I	98.6	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-75.3	-38.2	173.5	-58.2	-52.9	0	0	0	111.2	S248 W265 R456 I459 F460 L476 M477 Y479	S248-I502 WeakPolarHBondContact CB-O 3.47Å; S248-I502 PolarHBondContact OG-O 3.47Å; W265-I502 VanDerWaalsContact CE2-O 3.32Å; W265-I502 WeakPolarHBondContact CZ2-O 3.39Å; W265-I502 PolarHBondContact NE1-O 3.49Å; R456-I502 HydrophobicContact CB-CD1 4.23Å; R456-I502 HydrophobicContact CG-CD1 4.12Å; I459-I502 HydrophobicContact CB-CD1 3.94Å; I459-I502 HydrophobicContact CB-CG1 4.44Å; I459-I502 HydrophobicContact CG2-CD1 3.71Å; I459-I502 HydrophobicContact CG2-CG1 3.71Å; F460-I502 HydrophobicContact CD1-CD1 4.01Å; F460-I502 HydrophobicContact CD2-CD1 3.87Å; F460-I502 HydrophobicContact CE1-CD1 3.78Å; F460-I502 HydrophobicContact CE1-CG1 4.28Å; F460-I502 HydrophobicContact CE1-CG2 4.11Å; F460-I502 HydrophobicContact CE2-CD1 3.65Å; F460-I502 HydrophobicContact CG-CD1 4.06Å; F460-I502 HydrophobicContact CZ-CD1 3.61Å; F460-I502 HydrophobicContact CZ-CG1 4.36Å; F460-I502 HydrophobicContact CZ-CG2 3.83Å; L476-I502 HydrophobicContact CD1-CG1 4.38Å; M477-I502 WeakPolarHBondContact O-CG2 3.32Å; M477-I502 HydrophobicContact SD-CG2 4.18Å; Y479-I502 HydrophobicContact CD1-CG1 4.41Å; Y479-I502 PolarHBondContact O-N 2.89Å
503	S	98.6	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-120.2	93.9	172.6	175.9	0	0	0	0	110	M477 Y479 N480 T550	M477-S503 WeakPolarHBondContact O-CB 3.43Å; Y479-S503 PolarHBondContact O-N 3.49Å; N480-S503 WeakPolarHBondContact CB-O 3.11Å; N480-S503 PolarHBondContact ND2-O 3.13Å; S503-T550 WeakPolarHBondContact O-CG2 3.18Å
504	A	98.4	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.			trans	-58.9	156.8	-177.3	0	0	0	0	0	113.9	W265 S498 G526 G527	W265-A504 HydrophobicContact CD2-CB 3.81Å; W265-A504 HydrophobicContact CE3-CB 3.55Å; W265-A504 HydrophobicContact CH2-CB 3.42Å; W265-A504 VanDerWaalsContact CH2-CB 3.42Å; W265-A504 HydrophobicContact CZ2-CB 3.66Å; W265-A504 VanDerWaalsContact CZ2-N 3.31Å; W265-A504 HydrophobicContact CZ3-CB 3.36Å; S498-A504 WeakPolarHBondContact O-CA 3.41Å; A504-G526 CarbonylContact O-C 3.55Å; A504-G526 VanDerWaalsContact O-CA 3.26Å; A504-G526 WeakPolarHBondContact O-CA 3.44Å; A504-G527 PolarHBondContact O-N 2.91Å
505	R	98.1	Very high	97.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-138.5	58	178	-74.8	-68.4	-56.7	-78.4	0.7	110.8	N480 S498 E507 L508 P549 T550 L554 P555	N480-R505 PolarHBondContact ND2-N 3.38Å; S498-R505 WeakPolarHBondContact CB-O 3.45Å; S498-R505 PolarHBondContact O-N 3.32Å; S498-R505 PolarHBondContact OG-O 2.96Å; R505-E507 WeakPolarHBondContact CA-OE2 3.31Å; R505-E507 IonicContact CZ-OE1 3.33Å; R505-E507 IonicContact NE-OE1 3.89Å; R505-E507 PolarHBondContact NE-OE1 2.98Å; R505-E507 IonicContact NE-OE2 3.02Å; R505-E507 IonicContact NH2-OE1 3.99Å; R505-E507 PolarHBondContact NH2-OE1 2.77Å; R505-E507 PolarHBondContact O-N 3.46Å; R505-L508 HydrophobicContact CB-CB 4.49Å; R505-L508 HydrophobicContact CB-CD1 3.82Å; R505-L508 HydrophobicContact CB-CG 4.09Å; R505-L508 HydrophobicContact CG-CD1 4.3Å; R505-L508 WeakPolarHBondContact O-CB 3.34Å; R505-L508 PolarHBondContact O-N 3.17Å; R505-P549 VanDerWaalsContact CD-CB 3.4Å; R505-T550 HydrophobicContact CG-CG2 3.7Å; R505-T550 PolarHBondContact NH1-O 3.01Å; R505-L554 HydrophobicContact CB-CD1 4.27Å; R505-L554 HydrophobicContact CG-CD1 3.71Å; R505-P555 PolarHBondContact NH1-O 2.86Å; R505-P555 PolarHBondContact NH2-O 3.46Å
506	D	97.7	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60	-20	-165.4	-59.3	-21.4	0	0	0	113.5	N499 L508 N509 Y522 R523 H525	N499-D506 WeakPolarHBondContact CA-OD1 3.31Å; N499-D506 VanDerWaalsContact CB-OD1 3.23Å; N499-D506 WeakPolarHBondContact CB-OD1 3.5Å; N499-D506 PolarHBondContact ND2-OD1 2.81Å; N499-D506 PolarHBondContact ND2-OD2 2.84Å; D506-L508 PolarHBondContact O-N 2.82Å; D506-N509 WeakPolarHBondContact O-CB 3.13Å; D506-N509 PolarHBondContact O-N 3Å; D506-N509 PolarHBondContact O-ND2 3.46Å; D506-Y522 WeakPolarHBondContact O-CA 3.48Å; D506-R523 CarbonylContact C-O 3.52Å; D506-R523 VanDerWaalsContact C-O 3.23Å; D506-R523 HydrophobicContact CB-CB 3.96Å; D506-R523 WeakPolarHBondContact CB-O 3.48Å; D506-R523 PolarHBondContact O-N 3.12Å; D506-R523 IonicContact OD2-CZ 3.18Å; D506-R523 VanDerWaalsContact OD2-CZ 3.3Å; D506-R523 IonicContact OD2-NE 2.62Å; D506-R523 PolarHBondContact OD2-NE 3.29Å; D506-R523 IonicContact OD2-NH2 2.71Å; D506-R523 PolarHBondContact OD2-NH2 3.33Å; D506-H525 WeakPolarHBondContact CB-O 3.33Å; D506-H525 PolarHBondContact N-O 2.77Å; D506-H525 IonicContact OD2-CG 3.3Å; D506-H525 IonicContact OD2-ND1 3.27Å; D506-H525 PolarHBondContact OD2-ND1 3.38Å
507	E	97.3	Very high	97.1	Very high	17 Å²	17	34.5 Å²	34.5	8%	0.079	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-73.6	-14.7	176.3	86.4	-70.1	-171	0	0	113.3	Y268 R505 N509 Y522 R523 L524 F557	Y268-E507 HydrophobicContact CE2-CB 4.12Å; Y268-E507 VanDerWaalsContact CE2-CD 3.47Å; Y268-E507 HydrophobicContact CE2-CG 3.92Å; Y268-E507 VanDerWaalsContact CE2-OE2 3.31Å; Y268-E507 WeakPolarHBondContact CE2-OE2 3.26Å; Y268-E507 PolarHBondContact OH-OE2 3.31Å; R505-E507 WeakPolarHBondContact CA-OE2 3.31Å; R505-E507 IonicContact CZ-OE1 3.33Å; R505-E507 IonicContact NE-OE1 3.89Å; R505-E507 PolarHBondContact NE-OE1 2.98Å; R505-E507 IonicContact NE-OE2 3.02Å; R505-E507 IonicContact NH2-OE1 3.99Å; R505-E507 PolarHBondContact NH2-OE1 2.77Å; R505-E507 PolarHBondContact O-N 3.46Å; E507-N509 VanDerWaalsContact C-N 3.32Å; E507-Y522 HydrophobicContact CB-CE2 4.08Å; E507-Y522 WeakPolarHBondContact O-CD2 3.26Å; E507-Y522 VanDerWaalsContact O-CE2 3.26Å; E507-Y522 WeakPolarHBondContact O-CE2 3.4Å; E507-R523 WeakPolarHBondContact CA-O 3.32Å; E507-R523 PolarHBondContact N-O 2.85Å; E507-L524 HydrophobicContact CB-CD2 4.04Å; E507-F557 HydrophobicContact CG-CD2 3.87Å; E507-F557 HydrophobicContact CG-CE2 4.12Å
508	L	97.5	Very high	96.8	Very high	53 Å²	53	45 Å²	45	28%	0.277	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-84.2	-7.3	172	-61.1	-177.9	0	0	0	112.7	F482 R505 D506 L554 P555	F482-L508 HydrophobicContact CE1-CB 4.27Å; F482-L508 HydrophobicContact CE1-CD1 4.09Å; F482-L508 HydrophobicContact CZ-CB 4.07Å; R505-L508 HydrophobicContact CB-CB 4.49Å; R505-L508 HydrophobicContact CB-CD1 3.82Å; R505-L508 HydrophobicContact CB-CG 4.09Å; R505-L508 HydrophobicContact CG-CD1 4.3Å; R505-L508 WeakPolarHBondContact O-CB 3.34Å; R505-L508 PolarHBondContact O-N 3.17Å; D506-L508 PolarHBondContact O-N 2.82Å; L508-L554 HydrophobicContact CD1-CB 4.29Å; L508-L554 HydrophobicContact CD1-CD1 3.98Å; L508-L554 HydrophobicContact CD1-CD2 4.1Å; L508-L554 HydrophobicContact CD1-CG 4.38Å; L508-P555 HydrophobicContact CD2-CG 4.17Å
509	N	97.6	Very high	96.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-71.2	142.9	172.1	-66.7	-33.9	0	0	0	110.3	T497 S498 D506 E507 P511 Y515 W520 S521 Y522	T497-N509 PolarHBondContact OG1-ND2 3.16Å; T497-N509 PolarHBondContact OG1-OD1 2.81Å; S498-N509 WeakPolarHBondContact CB-OD1 3.11Å; S498-N509 PolarHBondContact N-OD1 3.3Å; S498-N509 PolarHBondContact OG-ND2 2.97Å; S498-N509 VanDerWaalsContact OG-ND2 3.11Å; S498-N509 PolarHBondContact OG-OD1 2.89Å; D506-N509 WeakPolarHBondContact O-CB 3.13Å; D506-N509 PolarHBondContact O-N 3Å; D506-N509 PolarHBondContact O-ND2 3.46Å; E507-N509 VanDerWaalsContact C-N 3.32Å; N509-P511 VanDerWaalsContact O-CD 3.28Å; N509-P511 WeakPolarHBondContact O-CD 2.96Å; N509-Y515 HydrophobicContact CB-CE1 4.49Å; N509-Y515 WeakPolarHBondContact CB-OH 3.48Å; N509-W520 PolarHBondContact ND2-O 2.62Å; N509-S521 PolarHBondContact ND2-O 2.87Å; N509-Y522 WeakPolarHBondContact O-CD2 3.47Å
510	D	96.2	Very high	96.5	Very high	73 Å²	73	46.8 Å²	46.8	39%	0.39	23%	0.232	S	C	.	.			trans	-60.1	121.2	174.8	-177	-6.9	0	0	0	110.1	K512 G513 Y515	D510-K512 PolarHBondContact O-N 3.36Å; D510-K512 WeakPolarHBondContact OD1-CB 3.44Å; D510-K512 PolarHBondContact OD1-N 3.43Å; D510-G513 PolarHBondContact O-N 2.92Å; D510-Y515 PolarHBondContact N-OH 2.99Å; D510-Y515 WeakPolarHBondContact O-CE2 3.42Å; D510-Y515 PolarHBondContact O-OH 2.67Å
511	P	94.9	Very high	96.4	Very high	95 Å²	95	47.1 Å²	47.1	62%	0.617	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	174.7	-22.7	32.9	0	0	0	114.2	N509 Y522	N509-P511 VanDerWaalsContact O-CD 3.28Å; N509-P511 WeakPolarHBondContact O-CD 2.96Å; P511-Y522 HydrophobicContact CB-CD1 4.43Å; P511-Y522 HydrophobicContact CB-CG 4.15Å; P511-Y522 HydrophobicContact CG-CD1 4.36Å; P511-Y522 HydrophobicContact CG-CD2 3.77Å; P511-Y522 HydrophobicContact CG-CE2 4.15Å; P511-Y522 HydrophobicContact CG-CG 3.86Å
512	K	96	Very high	96.3	Very high	190 Å²	190	50.5 Å²	50.5	83%	0.826	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	2.7	175.5	-59.6	-178.1	-178.2	179.9	0	112.9	D510	D510-K512 PolarHBondContact O-N 3.36Å; D510-K512 WeakPolarHBondContact OD1-CB 3.44Å; D510-K512 PolarHBondContact OD1-N 3.43Å
513	G	96.5	Very high	96.2	Very high	19 Å²	19	53.1 Å²	53.1	20%	0.196	26%	0.26	C	S	.	.			trans	-66.8	157.2	179.8	0	0	0	0	0	113	K493 D510 Y515	K493-G513 CarbonylContact O-C 3.37Å; K493-G513 WeakPolarHBondContact O-CA 2.94Å; D510-G513 PolarHBondContact O-N 2.92Å; G513-Y515 VanDerWaalsContact C-CE2 3.45Å
514	Q	97.6	Very high	96	Very high	126 Å²	126	54.4 Å²	54.4	59%	0.589	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-106	110.3	177.2	-61.7	178.1	9.3	0	0	108.9	C492 K493	C492-Q514 CarbonylContact C-O 3.55Å; C492-Q514 WeakPolarHBondContact CA-O 3.05Å; C492-Q514 WeakPolarHBondContact CB-O 3.1Å; K493-Q514 HydrophobicContact CB-CB 4.24Å; K493-Q514 PolarHBondContact N-O 3.27Å; K493-Q514 PolarHBondContact O-N 3.47Å
515	Y	96.8	Very high	95.9	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.129	27%	0.267	C	S	.	.			trans	-120.4	123.8	-177	-51.5	-83.3	0	0	0	109.7	C492 N509 D510 G513 I517 W520 S521	C492-Y515 HydrophobicContact CB-CD1 4.09Å; N509-Y515 HydrophobicContact CB-CE1 4.49Å; N509-Y515 WeakPolarHBondContact CB-OH 3.48Å; D510-Y515 PolarHBondContact N-OH 2.99Å; D510-Y515 WeakPolarHBondContact O-CE2 3.42Å; D510-Y515 PolarHBondContact O-OH 2.67Å; G513-Y515 VanDerWaalsContact C-CE2 3.45Å; Y515-I517 PolarHBondContact O-N 2.85Å; Y515-W520 HydrophobicContact CD1-CB 4.17Å; Y515-W520 VanDerWaalsContact CD1-O 3.29Å; Y515-W520 WeakPolarHBondContact CD1-O 3.43Å; Y515-W520 HydrophobicContact CG-CB 4.38Å; Y515-S521 VanDerWaalsContact CD2-CA 3.47Å
516	P	94.3	Very high	95.9	Very high	71 Å²	71	54.4 Å²	54.4	46%	0.461	27%	0.267	S	S	.	.	S	Bend	trans	-70.9	-22	-177.8	28.8	-36.2	0	0	0	112.7	P491 W520	P491-P516 HydrophobicContact CG-CG 4.37Å; P516-W520 HydrophobicContact CG-CE3 3.92Å; P516-W520 HydrophobicContact CG-CZ3 3.54Å
517	I	93.7	Very high	96	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.067	27%	0.267	C	S	.	.	S	Bend	trans	-114.4	125.1	173.7	-54.5	-167.6	0	0	0	107.9	H445 W448 Y449 Y515 S519 W520	H445-I517 HydrophobicContact CB-CD1 4.32Å; W448-I517 HydrophobicContact CB-CD1 4.03Å; W448-I517 HydrophobicContact CG-CD1 3.74Å; Y449-I517 HydrophobicContact CE2-CD1 3.83Å; Y515-I517 PolarHBondContact O-N 2.85Å; I517-S519 WeakPolarHBondContact CG2-OG 3.07Å; I517-S519 PolarHBondContact O-N 2.96Å; I517-W520 HydrophobicContact CB-CD2 3.7Å; I517-W520 HydrophobicContact CB-CE3 4.04Å; I517-W520 HydrophobicContact CB-CG 4.02Å; I517-W520 HydrophobicContact CB-CZ2 4.25Å; I517-W520 HydrophobicContact CB-CZ3 4.43Å; I517-W520 HydrophobicContact CD1-CD2 4.43Å; I517-W520 HydrophobicContact CD1-CH2 3.66Å; I517-W520 HydrophobicContact CD1-CZ2 3.37Å; I517-W520 HydrophobicContact CD1-CZ3 4.33Å; I517-W520 HydrophobicContact CG1-CD2 4.17Å; I517-W520 HydrophobicContact CG1-CE3 4.21Å; I517-W520 HydrophobicContact CG1-CH2 3.92Å; I517-W520 HydrophobicContact CG1-CZ2 3.92Å; I517-W520 HydrophobicContact CG1-CZ3 4.08Å; I517-W520 WeakPolarHBondContact O-CB 3.33Å; I517-W520 PolarHBondContact O-N 2.99Å
518	R	91.8	Very high	96	Very high	220 Å²	220	53.6 Å²	53.6	83%	0.83	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.2	-33.6	-175.7	-177.2	177.6	175.9	-177.5	-1.9	113.3	W520 S521	R518-W520 PolarHBondContact O-N 2.79Å; R518-S521 WeakPolarHBondContact O-CB 3.38Å; R518-S521 PolarHBondContact O-N 2.99Å; R518-S521 PolarHBondContact O-OG 3.19Å
519	S	92.8	Very high	96.1	Very high	35 Å²	35	51.1 Å²	51.1	25%	0.245	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-66	-17.5	178.2	59.5	0	0	0	0	113.2	N499 I517 S521 R523	N499-S519 PolarHBondContact ND2-O 3.25Å; N499-S519 VanDerWaalsContact ND2-O 3.17Å; I517-S519 WeakPolarHBondContact CG2-OG 3.07Å; I517-S519 PolarHBondContact O-N 2.96Å; S519-S521 VanDerWaalsContact C-N 3.32Å; S519-R523 PolarHBondContact O-NH2 3.36Å; S519-R523 VanDerWaalsContact O-NH2 3.09Å
520	W	95.9	Very high	96.1	Very high	9 Å²	9	50.9 Å²	50.9	3%	0.034	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-84.9	-4	177.5	-58.1	-11.4	0	0	0	113.6	W448 C490 T497 N509 Y515 P516 I517 R518	W448-W520 HydrophobicContact CB-CZ2 3.99Å; W448-W520 AromaticContact CD2-CE2 3.95Å; W448-W520 AromaticContact CD2-CZ2 3.6Å; W448-W520 HydrophobicContact CD2-CZ2 3.6Å; W448-W520 AromaticContact CD2-NE1 3.66Å; W448-W520 AromaticContact CE2-NE1 3.28Å; W448-W520 VanDerWaalsContact CE2-NE1 3.28Å; W448-W520 AromaticContact CE3-CZ2 3.89Å; W448-W520 HydrophobicContact CE3-CZ2 3.89Å; W448-W520 AromaticContact CG-CZ2 3.64Å; W448-W520 HydrophobicContact CG-CZ2 3.64Å; W448-W520 AromaticContact CH2-NE1 3.71Å; W448-W520 AromaticContact CZ2-NE1 3.31Å; W448-W520 VanDerWaalsContact CZ2-NE1 3.31Å; W448-W520 AromaticContact NE1-NE1 3.75Å; C490-W520 HydrophobicContact CB-CE3 3.92Å; C490-W520 HydrophobicContact CB-CH2 4.33Å; C490-W520 HydrophobicContact CB-CZ3 3.6Å; T497-W520 HydrophobicContact CG2-CB 3.99Å; T497-W520 HydrophobicContact CG2-CD2 4.19Å; T497-W520 HydrophobicContact CG2-CG 3.97Å; T497-W520 PolarHBondContact OG1-O 3.17Å; N509-W520 PolarHBondContact ND2-O 2.62Å; Y515-W520 HydrophobicContact CD1-CB 4.17Å; Y515-W520 VanDerWaalsContact CD1-O 3.29Å; Y515-W520 WeakPolarHBondContact CD1-O 3.43Å; Y515-W520 HydrophobicContact CG-CB 4.38Å; P516-W520 HydrophobicContact CG-CE3 3.92Å; P516-W520 HydrophobicContact CG-CZ3 3.54Å; I517-W520 HydrophobicContact CB-CD2 3.7Å; I517-W520 HydrophobicContact CB-CE3 4.04Å; I517-W520 HydrophobicContact CB-CG 4.02Å; I517-W520 HydrophobicContact CB-CZ2 4.25Å; I517-W520 HydrophobicContact CB-CZ3 4.43Å; I517-W520 HydrophobicContact CD1-CD2 4.43Å; I517-W520 HydrophobicContact CD1-CH2 3.66Å; I517-W520 HydrophobicContact CD1-CZ2 3.37Å; I517-W520 HydrophobicContact CD1-CZ3 4.33Å; I517-W520 HydrophobicContact CG1-CD2 4.17Å; I517-W520 HydrophobicContact CG1-CE3 4.21Å; I517-W520 HydrophobicContact CG1-CH2 3.92Å; I517-W520 HydrophobicContact CG1-CZ2 3.92Å; I517-W520 HydrophobicContact CG1-CZ3 4.08Å; I517-W520 WeakPolarHBondContact O-CB 3.33Å; I517-W520 PolarHBondContact O-N 2.99Å; R518-W520 PolarHBondContact O-N 2.79Å
521	S	96	Very high	96.3	Very high	30 Å²	30	47.4 Å²	47.4	21%	0.21	23%	0.231	C	C	.	.	S	Bend	trans	-81.1	174.3	-178.1	75.8	0	0	0	0	112.8	N509 Y515 R518 S519 R523	N509-S521 PolarHBondContact ND2-O 2.87Å; Y515-S521 VanDerWaalsContact CD2-CA 3.47Å; R518-S521 WeakPolarHBondContact O-CB 3.38Å; R518-S521 PolarHBondContact O-N 2.99Å; R518-S521 PolarHBondContact O-OG 3.19Å; S519-S521 VanDerWaalsContact C-N 3.32Å; S521-R523 PolarHBondContact O-N 3.34Å
522	Y	96.2	Very high	96.4	Very high	70 Å²	70	43 Å²	43	28%	0.275	20%	0.201	S	C	.	.			trans	-54.7	124.9	168.2	177.2	-93	0	0	0	111.5	D506 E507 N509 P511	D506-Y522 WeakPolarHBondContact O-CA 3.48Å; E507-Y522 HydrophobicContact CB-CE2 4.08Å; E507-Y522 WeakPolarHBondContact O-CD2 3.26Å; E507-Y522 VanDerWaalsContact O-CE2 3.26Å; E507-Y522 WeakPolarHBondContact O-CE2 3.4Å; N509-Y522 WeakPolarHBondContact O-CD2 3.47Å; P511-Y522 HydrophobicContact CB-CD1 4.43Å; P511-Y522 HydrophobicContact CB-CG 4.15Å; P511-Y522 HydrophobicContact CG-CD1 4.36Å; P511-Y522 HydrophobicContact CG-CD2 3.77Å; P511-Y522 HydrophobicContact CG-CE2 4.15Å; P511-Y522 HydrophobicContact CG-CG 3.86Å
523	R	95.3	Very high	96.5	Very high	55 Å²	55	33.9 Å²	33.9	21%	0.208	16%	0.162	C	C	.	.			trans	-152	148.9	173.7	-61.2	-173.2	-64.4	163.4	2.4	108.8	S244 D506 E507 S519 S521 H525	S244-R523 PolarHBondContact OG-NH1 2.89Å; D506-R523 CarbonylContact C-O 3.52Å; D506-R523 VanDerWaalsContact C-O 3.23Å; D506-R523 HydrophobicContact CB-CB 3.96Å; D506-R523 WeakPolarHBondContact CB-O 3.48Å; D506-R523 PolarHBondContact O-N 3.12Å; D506-R523 IonicContact OD2-CZ 3.18Å; D506-R523 VanDerWaalsContact OD2-CZ 3.3Å; D506-R523 IonicContact OD2-NE 2.62Å; D506-R523 PolarHBondContact OD2-NE 3.29Å; D506-R523 IonicContact OD2-NH2 2.71Å; D506-R523 PolarHBondContact OD2-NH2 3.33Å; E507-R523 WeakPolarHBondContact CA-O 3.32Å; E507-R523 PolarHBondContact N-O 2.85Å; S519-R523 PolarHBondContact O-NH2 3.36Å; S519-R523 VanDerWaalsContact O-NH2 3.09Å; S521-R523 PolarHBondContact O-N 3.34Å; R523-H525 HydrophobicContact CB-CB 3.73Å; R523-H525 PolarHBondContact NH2-ND1 2.88Å; R523-H525 PolarHBondContact O-N 3.24Å
524	L	95.6	Very high	96.6	Very high	27 Å²	27	34 Å²	34	14%	0.141	16%	0.158	C	C	.	.	S	Bend	trans	-78.5	68.1	166.5	-64	178.2	0	0	0	109.4	T267 Y268 E507 F557 W559 I562 V565	T267-L524 WeakPolarHBondContact CA-O 3.47Å; Y268-L524 HydrophobicContact CD2-CB 4.22Å; Y268-L524 HydrophobicContact CD2-CD2 4.44Å; Y268-L524 PolarHBondContact N-O 2.9Å; E507-L524 HydrophobicContact CB-CD2 4.04Å; L524-F557 HydrophobicContact CD2-CE2 4.48Å; L524-W559 HydrophobicContact CD1-CH2 4.36Å; L524-W559 HydrophobicContact CD1-CZ3 3.94Å; L524-I562 HydrophobicContact CD1-CG2 4.02Å; L524-I562 HydrophobicContact CD2-CD1 3.99Å; L524-I562 HydrophobicContact CD2-CG1 4.09Å; L524-I562 HydrophobicContact CD2-CG2 3.79Å; L524-I562 HydrophobicContact CG-CG2 4.46Å; L524-V565 HydrophobicContact CD1-CB 4.04Å; L524-V565 HydrophobicContact CD1-CG1 3.72Å; L524-V565 HydrophobicContact CD1-CG2 3.84Å
525	H	97.1	Very high	96.5	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.6	-167.9	-175.3	-79	0	0	0	109.8	S244 S266 T267 Y268 D506 R523	S244-H525 PolarHBondContact O-NE2 2.59Å; S266-H525 WeakPolarHBondContact CA-NE2 3.35Å; S266-H525 WeakPolarHBondContact O-CA 3.14Å; S266-H525 PolarHBondContact O-CD2 3.19Å; T267-H525 PolarHBondContact N-CD2 2.98Å; Y268-H525 VanDerWaalsContact CE1-C 3.48Å; Y268-H525 PolarHBondContact OH-O 3.21Å; D506-H525 WeakPolarHBondContact CB-O 3.33Å; D506-H525 PolarHBondContact N-O 2.77Å; D506-H525 IonicContact OD2-CG 3.3Å; D506-H525 IonicContact OD2-ND1 3.27Å; D506-H525 PolarHBondContact OD2-ND1 3.38Å; R523-H525 HydrophobicContact CB-CB 3.73Å; R523-H525 PolarHBondContact NH2-ND1 2.88Å; R523-H525 PolarHBondContact O-N 3.24Å
526	G	98	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-170.6	179.6	0	0	0	0	0	110.4	W265 S266 A504 T528	W265-G526 CarbonylContact C-O 3.59Å; W265-G526 WeakPolarHBondContact CA-O 3.38Å; W265-G526 WeakPolarHBondContact CB-O 3.38Å; S266-G526 PolarHBondContact N-O 2.91Å; S266-G526 PolarHBondContact O-N 3.24Å; A504-G526 CarbonylContact O-C 3.55Å; A504-G526 VanDerWaalsContact O-CA 3.26Å; A504-G526 WeakPolarHBondContact O-CA 3.44Å; G526-T528 PolarHBondContact O-N 3.01Å
527	G	98.5	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.2	170.2	0	0	0	0	0	110	T264 A504 P549	T264-G527 CarbonylContact O-C 3.56Å; T264-G527 VanDerWaalsContact O-CA 3.28Å; T264-G527 WeakPolarHBondContact O-CA 3.46Å; A504-G527 PolarHBondContact O-N 2.91Å; G527-P549 VanDerWaalsContact O-CA 3.25Å; G527-P549 WeakPolarHBondContact O-CA 3.34Å
528	T	98.4	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.			trans	-109.4	-3.3	-175	51.8	0	0	0	0	113.5	T264 Y268 M271 G526 G548	T264-T528 PolarHBondContact O-N 3.18Å; T264-T528 PolarHBondContact O-OG1 3.02Å; Y268-T528 HydrophobicContact CD1-CG2 3.8Å; Y268-T528 HydrophobicContact CE1-CG2 4.05Å; M271-T528 HydrophobicContact CG-CG2 3.88Å; M271-T528 HydrophobicContact SD-CG2 3.78Å; G526-T528 PolarHBondContact O-N 3.01Å; T528-G548 CarbonylContact C-O 3.52Å; T528-G548 WeakPolarHBondContact O-CA 3.47Å; T528-G548 PolarHBondContact O-N 2.89Å
529	D	98.7	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-176.7	176.5	58	47.6	0	0	0	111.7	W86 V263 T264 R273 K531 I546	W86-D529 HydrophobicContact CH2-CB 4.05Å; W86-D529 HydrophobicContact CZ2-CB 3.83Å; V263-D529 VanDerWaalsContact CG1-O 3.32Å; V263-D529 WeakPolarHBondContact CG1-O 3.36Å; T264-D529 WeakPolarHBondContact CB-OD2 3.38Å; T264-D529 PolarHBondContact N-OD1 3.34Å; T264-D529 PolarHBondContact OG1-OD1 3.43Å; T264-D529 PolarHBondContact OG1-OD2 3.44Å; R273-D529 IonicContact CZ-OD2 2.75Å; R273-D529 IonicContact NH1-OD2 3.88Å; R273-D529 PolarHBondContact NH1-OD2 2.75Å; R273-D529 IonicContact NH2-OD2 3.1Å; R273-D529 PolarHBondContact NH2-OD2 3.26Å; D529-K531 HydrophobicContact CB-CD 4.29Å; D529-K531 IonicContact OD1-NZ 3.73Å; D529-K531 PolarHBondContact OD1-NZ 2.97Å; D529-K531 IonicContact OD2-NZ 3.81Å; D529-K531 PolarHBondContact OD2-NZ 3.17Å; D529-I546 CarbonylContact C-O 3.57Å; D529-I546 WeakPolarHBondContact CA-O 3.34Å; D529-I546 WeakPolarHBondContact CB-O 3.11Å
530	A	98.6	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.6	149.9	0	0	0	0	0	109.5	H262 V263 M474 M477 R478 A545 I546	H262-A530 CarbonylContact O-C 3.34Å; H262-A530 WeakPolarHBondContact O-CA 3.26Å; V263-A530 HydrophobicContact CG2-CB 3.89Å; M474-A530 HydrophobicContact SD-CB 3.78Å; M477-A530 HydrophobicContact CB-CB 4.38Å; R478-A530 HydrophobicContact CG-CB 4.43Å; A530-A545 CarbonylContact O-C 3.59Å; A530-A545 VanDerWaalsContact O-CA 3.28Å; A530-A545 WeakPolarHBondContact O-CA 3.29Å; A530-I546 HydrophobicContact CB-CG2 3.79Å; A530-I546 PolarHBondContact N-O 3.43Å; A530-I546 PolarHBondContact O-N 3.21Å
531	K	98.7	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.5	173.7	-63.1	79.2	53.6	173.4	0	109.7	W86 S261 H262 T264 S301 D311 F313 D529 M543 I544 A545	W86-K531 HydrophobicContact CH2-CD 4.38Å; S261-K531 CarbonylContact C-O 3.48Å; S261-K531 WeakPolarHBondContact CA-O 3.47Å; S261-K531 WeakPolarHBondContact CB-O 3.38Å; H262-K531 PolarHBondContact N-O 3.19Å; H262-K531 WeakPolarHBondContact ND1-CE 3.12Å; H262-K531 PolarHBondContact ND1-NZ 3.09Å; H262-K531 VanDerWaalsContact ND1-NZ 3.11Å; H262-K531 PolarHBondContact O-N 2.94Å; T264-K531 PolarHBondContact OG1-NZ 2.71Å; S301-K531 WeakPolarHBondContact OG-CE 3.34Å; D311-K531 VanDerWaalsContact CG-NZ 3.34Å; D311-K531 WeakPolarHBondContact OD2-CE 3.48Å; D311-K531 IonicContact OD2-NZ 3.46Å; D311-K531 PolarHBondContact OD2-NZ 3.21Å; F313-K531 HydrophobicContact CD1-CB 3.85Å; F313-K531 HydrophobicContact CD1-CG 4.35Å; F313-K531 HydrophobicContact CD2-CB 4.42Å; F313-K531 HydrophobicContact CE1-CB 3.97Å; F313-K531 HydrophobicContact CG-CB 4.08Å; F313-K531 HydrophobicContact CZ-CB 4.29Å; D529-K531 HydrophobicContact CB-CD 4.29Å; D529-K531 IonicContact OD1-NZ 3.73Å; D529-K531 PolarHBondContact OD1-NZ 2.97Å; D529-K531 IonicContact OD2-NZ 3.81Å; D529-K531 PolarHBondContact OD2-NZ 3.17Å; K531-M543 HydrophobicContact CB-SD 4.43Å; K531-M543 HydrophobicContact CG-SD 4.08Å; K531-I544 CarbonylContact C-O 3.49Å; K531-I544 VanDerWaalsContact CA-O 3.28Å; K531-I544 WeakPolarHBondContact CA-O 3.26Å; K531-A545 HydrophobicContact CG-CB 4.15Å
532	I	98.6	Very high	96.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.3	-177.9	-45.7	173.5	0	0	0	110	Y259 L260 F470 M473 M474 I544	Y259-I532 HydrophobicContact CD1-CG2 4.41Å; L260-I532 CarbonylContact O-C 3.6Å; L260-I532 VanDerWaalsContact O-CA 3.31Å; L260-I532 WeakPolarHBondContact O-CA 3.23Å; F470-I532 HydrophobicContact CD1-CB 4.29Å; F470-I532 HydrophobicContact CD1-CG2 3.69Å; F470-I532 HydrophobicContact CE1-CB 4.45Å; F470-I532 HydrophobicContact CE1-CG2 3.83Å; M473-I532 HydrophobicContact CB-CD1 4.12Å; M473-I532 HydrophobicContact CB-CG2 4.39Å; M473-I532 HydrophobicContact CG-CD1 3.87Å; M473-I532 HydrophobicContact CG-CG1 4.32Å; M473-I532 HydrophobicContact CG-CG2 3.71Å; M474-I532 VanDerWaalsContact CA-CD1 3.49Å; M474-I532 HydrophobicContact CB-CD1 3.67Å; M474-I532 HydrophobicContact CE-CD1 3.56Å; M474-I532 HydrophobicContact CE-CG1 4.1Å; M474-I532 HydrophobicContact CG-CD1 4.37Å; M474-I532 HydrophobicContact SD-CD1 3.9Å; I532-I544 PolarHBondContact N-O 3.25Å; I532-I544 PolarHBondContact O-N 2.58Å
533	V	98.1	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	161.8	168.2	-60.5	0	0	0	0	110.5	Y259 L260 F313 L315 T321 M537 N542 M543	Y259-V533 CarbonylContact C-O 3.57Å; Y259-V533 VanDerWaalsContact CA-O 3.31Å; Y259-V533 WeakPolarHBondContact CA-O 3.34Å; L260-V533 HydrophobicContact CB-CG2 3.88Å; L260-V533 HydrophobicContact CD1-CG2 4.02Å; L260-V533 PolarHBondContact N-O 3.31Å; L260-V533 PolarHBondContact O-N 2.96Å; F313-V533 HydrophobicContact CE1-CG1 3.92Å; F313-V533 HydrophobicContact CZ-CB 4.5Å; F313-V533 HydrophobicContact CZ-CG1 3.94Å; F313-V533 HydrophobicContact CZ-CG2 3.95Å; L315-V533 HydrophobicContact CD1-CG1 3.84Å; L315-V533 HydrophobicContact CD2-CB 4.44Å; L315-V533 HydrophobicContact CD2-CG1 3.82Å; L315-V533 HydrophobicContact CD2-CG2 4.04Å; L315-V533 HydrophobicContact CG-CG1 4.4Å; T321-V533 HydrophobicContact CG2-CG2 4.11Å; V533-M537 HydrophobicContact CB-CB 3.86Å; V533-M537 HydrophobicContact CG1-CB 4.15Å; V533-N542 WeakPolarHBondContact CG1-O 3.4Å; V533-M543 HydrophobicContact CG1-CB 3.64Å
534	D	97.5	Very high	96.7	Very high	21 Å²	21	19.3 Å²	19.3	11%	0.112	10%	0.102	C	C	.	.			trans	-114.3	-176.6	160.2	80.8	-24.4	0	0	0	110.8	N257 V258 Y259 F470 S536 M537 T538	N257-D534 WeakPolarHBondContact ND2-CB 3.48Å; N257-D534 PolarHBondContact ND2-OD2 3.18Å; V258-D534 VanDerWaalsContact O-CA 3.32Å; V258-D534 WeakPolarHBondContact O-CA 3.11Å; Y259-D534 HydrophobicContact CD1-CB 4.16Å; Y259-D534 HydrophobicContact CE1-CB 4.11Å; F470-D534 HydrophobicContact CE1-CB 4.35Å; F470-D534 HydrophobicContact CE2-CB 4.33Å; F470-D534 HydrophobicContact CZ-CB 3.66Å; D534-S536 VanDerWaalsContact C-N 3.28Å; D534-S536 PolarHBondContact O-N 3.39Å; D534-S536 PolarHBondContact OD1-N 3.22Å; D534-M537 PolarHBondContact O-N 3.36Å; D534-M537 WeakPolarHBondContact OD1-CB 3.39Å; D534-M537 WeakPolarHBondContact OD1-CG 3.3Å; D534-M537 PolarHBondContact OD1-N 3.07Å; D534-T538 PolarHBondContact O-N 2.81Å; D534-T538 PolarHBondContact O-OG1 3.42Å
535	L	96.3	Very high	96.8	Very high	32 Å²	32	18 Å²	18	17%	0.168	10%	0.095	C	C	.	.	H	α-helix	trans	-57.3	-40.2	179.9	-67.2	174.3	0	0	0	112.9	N257 V258 F384 A386 T538 I539	N257-L535 WeakPolarHBondContact OD1-CG 3.46Å; N257-L535 PolarHBondContact OD1-N 3.45Å; V258-L535 HydrophobicContact CB-CD2 4.28Å; V258-L535 HydrophobicContact CB-CG 4.32Å; F384-L535 HydrophobicContact CE1-CD2 3.62Å; F384-L535 HydrophobicContact CZ-CD2 4.07Å; A386-L535 HydrophobicContact CB-CD2 4.04Å; L535-T538 PolarHBondContact O-N 3.16Å; L535-I539 WeakPolarHBondContact O-CG1 3.37Å; L535-I539 PolarHBondContact O-N 2.87Å
536	S	95.3	Very high	96.8	Very high	54 Å²	54	18.1 Å²	18.1	38%	0.378	10%	0.096	S	C	.	.	H	α-helix	trans	-66.5	-46	179.8	-179.7	0	0	0	0	111.1	D534 T538 I539 Q540	D534-S536 VanDerWaalsContact C-N 3.28Å; D534-S536 PolarHBondContact O-N 3.39Å; D534-S536 PolarHBondContact OD1-N 3.22Å; S536-T538 VanDerWaalsContact C-N 3.34Å; S536-T538 PolarHBondContact O-N 2.86Å; S536-I539 PolarHBondContact O-N 2.83Å; S536-Q540 VanDerWaalsContact O-CG 3.31Å; S536-Q540 WeakPolarHBondContact O-CG 3.31Å; S536-Q540 PolarHBondContact O-N 3.23Å; S536-Q540 PolarHBondContact OG-NE2 3.2Å
537	M	95.3	Very high	96.8	Very high	14 Å²	14	18.1 Å²	18.1	7%	0.069	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-38	177.3	-82.1	-166.3	147	0	0	112.7	F470 V533 D534 I539 Q540 L541 N542 I544 V581	F470-M537 HydrophobicContact CE1-SD 4.01Å; F470-M537 HydrophobicContact CZ-CG 4.45Å; F470-M537 HydrophobicContact CZ-SD 3.69Å; V533-M537 HydrophobicContact CB-CB 3.86Å; V533-M537 HydrophobicContact CG1-CB 4.15Å; D534-M537 PolarHBondContact O-N 3.36Å; D534-M537 WeakPolarHBondContact OD1-CB 3.39Å; D534-M537 WeakPolarHBondContact OD1-CG 3.3Å; D534-M537 PolarHBondContact OD1-N 3.07Å; M537-I539 VanDerWaalsContact C-N 3.34Å; M537-I539 PolarHBondContact O-N 2.97Å; M537-Q540 CarbonylContact O-C 3.57Å; M537-Q540 PolarHBondContact O-N 3.17Å; M537-L541 PolarHBondContact O-N 3.06Å; M537-N542 WeakPolarHBondContact CB-O 3.49Å; M537-N542 PolarHBondContact O-N 2.99Å; M537-I544 HydrophobicContact CE-CD1 4.38Å; M537-I544 HydrophobicContact CE-CG1 3.69Å; M537-I544 HydrophobicContact SD-CG1 3.92Å; M537-V581 HydrophobicContact CE-CG1 3.91Å
538	T	95.3	Very high	96.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.2	-46.7	172.4	-62.5	0	0	0	0	111.5	T321 A386 D534 L535 S536 Q540 L541	T321-T538 WeakPolarHBondContact OG1-CG2 3.32Å; T321-T538 PolarHBondContact OG1-OG1 3.34Å; A386-T538 HydrophobicContact CB-CG2 4.17Å; D534-T538 PolarHBondContact O-N 2.81Å; D534-T538 PolarHBondContact O-OG1 3.42Å; L535-T538 PolarHBondContact O-N 3.16Å; S536-T538 VanDerWaalsContact C-N 3.34Å; S536-T538 PolarHBondContact O-N 2.86Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; T538-L541 PolarHBondContact O-N 3.35Å
539	I	93.2	Very high	96.8	Very high	101 Å²	101	18.1 Å²	18.1	52%	0.518	10%	0.096	S	C	.	.	H	α-helix	trans	-67.5	-37.2	-179.7	-64.7	165.8	0	0	0	111.1	L535 S536 M537 L541	L535-I539 WeakPolarHBondContact O-CG1 3.37Å; L535-I539 PolarHBondContact O-N 2.87Å; S536-I539 PolarHBondContact O-N 2.83Å; M537-I539 VanDerWaalsContact C-N 3.34Å; M537-I539 PolarHBondContact O-N 2.97Å; I539-L541 VanDerWaalsContact C-N 3.26Å; I539-L541 PolarHBondContact O-N 3.09Å
540	Q	93.8	Very high	96.8	Very high	112 Å²	112	18.2 Å²	18.2	52%	0.523	10%	0.096	S	C	.	.	H	α-helix	trans	-80.7	-4.8	179.7	-66.2	173.4	4.4	0	0	113.5	S536 M537 T538 N542	S536-Q540 VanDerWaalsContact O-CG 3.31Å; S536-Q540 WeakPolarHBondContact O-CG 3.31Å; S536-Q540 PolarHBondContact O-N 3.23Å; S536-Q540 PolarHBondContact OG-NE2 3.2Å; M537-Q540 CarbonylContact O-C 3.57Å; M537-Q540 PolarHBondContact O-N 3.17Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; Q540-N542 PolarHBondContact O-N 3.38Å
541	L	95.2	Very high	96.8	Very high	20 Å²	20	20.4 Å²	20.4	11%	0.105	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	35.1	-174.7	-52.5	176.1	0	0	0	113.2	A297 T299 L315 T316 M537 T538 I539	A297-L541 HydrophobicContact CB-CD1 3.73Å; T299-L541 VanDerWaalsContact CB-O 3.24Å; T299-L541 WeakPolarHBondContact CB-O 3.27Å; T299-L541 WeakPolarHBondContact CG2-O 3.44Å; T299-L541 WeakPolarHBondContact OG1-CB 3.35Å; T299-L541 PolarHBondContact OG1-O 3.45Å; L315-L541 HydrophobicContact CB-CD2 3.97Å; T316-L541 WeakPolarHBondContact O-CD2 3.42Å; M537-L541 PolarHBondContact O-N 3.06Å; T538-L541 PolarHBondContact O-N 3.35Å; I539-L541 VanDerWaalsContact C-N 3.26Å; I539-L541 PolarHBondContact O-N 3.09Å
542	N	94.3	Very high	96.5	Very high	21 Å²	21	23.8 Å²	23.8	11%	0.112	12%	0.123	C	C	.	.			trans	-114.7	158	177.5	-69.5	-40.9	0	0	0	111.1	L315 V533 M537 Q540 T582	L315-N542 WeakPolarHBondContact CD1-O 3.47Å; V533-N542 WeakPolarHBondContact CG1-O 3.4Å; M537-N542 WeakPolarHBondContact CB-O 3.49Å; M537-N542 PolarHBondContact O-N 2.99Å; Q540-N542 PolarHBondContact O-N 3.38Å; N542-T582 VanDerWaalsContact CA-OG1 3.26Å; N542-T582 WeakPolarHBondContact CA-OG1 3.21Å; N542-T582 WeakPolarHBondContact CB-O 3.42Å; N542-T582 PolarHBondContact OD1-O 2.94Å
543	M	96	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.			trans	-144.4	156.2	175.8	66.1	-174.1	65.9	0	0	112.6	L275 T299 F313 L315 K531 V533 V581 T582	L275-M543 HydrophobicContact CD2-CG 4.38Å; L275-M543 HydrophobicContact CD2-SD 3.61Å; T299-M543 HydrophobicContact CG2-CE 3.67Å; F313-M543 HydrophobicContact CD1-CE 3.88Å; F313-M543 HydrophobicContact CD1-SD 4.15Å; F313-M543 HydrophobicContact CE1-CB 4.42Å; F313-M543 HydrophobicContact CE1-CE 4.02Å; F313-M543 HydrophobicContact CE1-SD 4.29Å; L315-M543 HydrophobicContact CD1-CB 4.34Å; L315-M543 HydrophobicContact CD1-CE 3.9Å; L315-M543 HydrophobicContact CG-CE 4.13Å; K531-M543 HydrophobicContact CB-SD 4.43Å; K531-M543 HydrophobicContact CG-SD 4.08Å; V533-M543 HydrophobicContact CG1-CB 3.64Å; M543-V581 WeakPolarHBondContact O-CA 3.45Å; M543-T582 HydrophobicContact CG-CG2 3.83Å; M543-T582 PolarHBondContact N-OG1 3.17Å; M543-T582 PolarHBondContact O-N 3.22Å; M543-T582 PolarHBondContact O-OG1 2.97Å
544	I	97.4	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.1	161	-51.8	-170.3	0	0	0	107.8	F470 M474 K531 I532 M537 P579 V580 V581 L601 L604	F470-I544 HydrophobicContact CB-CD1 3.92Å; F470-I544 HydrophobicContact CD1-CD1 3.41Å; F470-I544 VanDerWaalsContact CD1-CD1 3.41Å; F470-I544 HydrophobicContact CD1-CG1 4.26Å; F470-I544 HydrophobicContact CD2-CD1 4.13Å; F470-I544 HydrophobicContact CE1-CD1 3.8Å; F470-I544 HydrophobicContact CE1-CG1 4.27Å; F470-I544 HydrophobicContact CE2-CD1 4.46Å; F470-I544 HydrophobicContact CG-CD1 3.57Å; F470-I544 HydrophobicContact CZ-CD1 4.3Å; M474-I544 HydrophobicContact CE-CG2 3.83Å; K531-I544 CarbonylContact C-O 3.49Å; K531-I544 VanDerWaalsContact CA-O 3.28Å; K531-I544 WeakPolarHBondContact CA-O 3.26Å; I532-I544 PolarHBondContact N-O 3.25Å; I532-I544 PolarHBondContact O-N 2.58Å; M537-I544 HydrophobicContact CE-CD1 4.38Å; M537-I544 HydrophobicContact CE-CG1 3.69Å; M537-I544 HydrophobicContact SD-CG1 3.92Å; I544-P579 HydrophobicContact CG2-CB 4.08Å; I544-V580 CarbonylContact C-O 3.56Å; I544-V580 WeakPolarHBondContact CA-O 3.13Å; I544-V581 HydrophobicContact CG1-CG2 4.19Å; I544-L601 HydrophobicContact CD1-CD2 4.23Å; I544-L601 HydrophobicContact CG2-CD1 4.11Å; I544-L604 HydrophobicContact CD1-CD1 4.31Å; I544-L604 HydrophobicContact CD1-CD2 4.49Å
545	A	97.8	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141	177.9	0	0	0	0	0	111.6	W86 L275 A530 K531 P579 V580	W86-A545 HydrophobicContact CZ2-CB 3.95Å; L275-A545 HydrophobicContact CD1-CB 3.97Å; L275-A545 HydrophobicContact CD2-CB 4.1Å; A530-A545 CarbonylContact O-C 3.59Å; A530-A545 VanDerWaalsContact O-CA 3.28Å; A530-A545 WeakPolarHBondContact O-CA 3.29Å; K531-A545 HydrophobicContact CG-CB 4.15Å; A545-P579 CarbonylContact O-C 3.36Å; A545-P579 VanDerWaalsContact O-CA 3.28Å; A545-P579 WeakPolarHBondContact O-CA 3.42Å; A545-V580 HydrophobicContact CB-CG2 4.29Å; A545-V580 PolarHBondContact N-O 2.98Å; A545-V580 WeakPolarHBondContact O-CG2 3.45Å; A545-V580 PolarHBondContact O-N 3.19Å
546	I	98.1	Very high	96.2	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.4	169.4	-174	171.7	0	0	0	108.9	M474 R478 D529 A530 Y551 F577 P579	M474-I546 HydrophobicContact CE-CB 4.33Å; M474-I546 HydrophobicContact CE-CG2 3.91Å; M474-I546 HydrophobicContact SD-CB 4.44Å; M474-I546 HydrophobicContact SD-CG2 3.54Å; M474-I546 VanDerWaalsContact SD-CG2 3.54Å; R478-I546 HydrophobicContact CG-CG2 4.48Å; D529-I546 CarbonylContact C-O 3.57Å; D529-I546 WeakPolarHBondContact CA-O 3.34Å; D529-I546 WeakPolarHBondContact CB-O 3.11Å; A530-I546 HydrophobicContact CB-CG2 3.79Å; A530-I546 PolarHBondContact N-O 3.43Å; A530-I546 PolarHBondContact O-N 3.21Å; I546-Y551 HydrophobicContact CD1-CE1 4.35Å; I546-F577 WeakPolarHBondContact CD1-O 3.26Å; I546-F577 WeakPolarHBondContact CG1-O 3.35Å; I546-P579 HydrophobicContact CB-CB 4.1Å; I546-P579 HydrophobicContact CB-CG 4.36Å; I546-P579 HydrophobicContact CD1-CG 4.17Å
547	S	98.4	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.5	-179	-169.6	0	0	0	0	111.4	G85 W86	G85-S547 VanDerWaalsContact O-CB 3.24Å; G85-S547 WeakPolarHBondContact O-CB 3.49Å; G85-S547 PolarHBondContact O-OG 3.27Å; W86-S547 VanDerWaalsContact NE1-N 3.19Å
548	G	98.3	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	94.9	171	174	0	0	0	0	0	114.6	R478 T528	R478-G548 PolarHBondContact NH1-O 3.07Å; R478-G548 PolarHBondContact NH2-O 3.26Å; T528-G548 CarbonylContact C-O 3.52Å; T528-G548 WeakPolarHBondContact O-CA 3.47Å; T528-G548 PolarHBondContact O-N 2.89Å
549	P	98.6	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-63.5	150.5	-179.6	-21.4	34.9	0	0	0	114	Y268 M271 R478 R505 G527 Y551 F557	Y268-P549 HydrophobicContact CD1-CG 4.35Å; Y268-P549 HydrophobicContact CE1-CB 4.48Å; Y268-P549 HydrophobicContact CE1-CG 3.77Å; Y268-P549 HydrophobicContact CE2-CG 4.2Å; M271-P549 HydrophobicContact SD-CG 4.32Å; R478-P549 VanDerWaalsContact NH2-C 3.26Å; R478-P549 PolarHBondContact NH2-O 3.4Å; R505-P549 VanDerWaalsContact CD-CB 3.4Å; G527-P549 VanDerWaalsContact O-CA 3.25Å; G527-P549 WeakPolarHBondContact O-CA 3.34Å; P549-Y551 PolarHBondContact O-N 3.04Å; P549-F557 HydrophobicContact CB-CB 4.08Å; P549-F557 HydrophobicContact CG-CB 3.76Å; P549-F557 HydrophobicContact CG-CD1 4.24Å; P549-F557 HydrophobicContact CG-CG 4.04Å
550	T	98.6	Very high	96.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.175	C	C	.	.			trans	-59.5	132.3	179.1	-177.1	0	0	0	0	112.5	R478 N480 S503 R505 L554	R478-T550 WeakPolarHBondContact O-CB 3.24Å; R478-T550 WeakPolarHBondContact O-CG2 3.17Å; R478-T550 PolarHBondContact O-OG1 2.89Å; N480-T550 HydrophobicContact CB-CG2 3.73Å; S503-T550 WeakPolarHBondContact O-CG2 3.18Å; R505-T550 HydrophobicContact CG-CG2 3.7Å; R505-T550 PolarHBondContact NH1-O 3.01Å; T550-L554 HydrophobicContact CG2-CD1 4.27Å
551	Y	97.6	Very high	96.8	Very high	46 Å²	46	33.8 Å²	33.8	18%	0.18	18%	0.181	C	C	.	.			trans	-130.1	12.8	-178.7	62.5	-102.2	0	0	0	112.6	I546 P549 L554 P556 Q576 F577	I546-Y551 HydrophobicContact CD1-CE1 4.35Å; P549-Y551 PolarHBondContact O-N 3.04Å; Y551-L554 CarbonylContact C-O 3.1Å; Y551-L554 WeakPolarHBondContact CA-O 3.48Å; Y551-P556 HydrophobicContact CG-CG 4.47Å; Y551-Q576 HydrophobicContact CD1-CB 4.49Å; Y551-Q576 HydrophobicContact CD1-CG 4.17Å; Y551-Q576 HydrophobicContact CD2-CG 3.89Å; Y551-Q576 HydrophobicContact CE1-CB 4.43Å; Y551-Q576 HydrophobicContact CE1-CG 4Å; Y551-Q576 HydrophobicContact CE2-CG 3.73Å; Y551-Q576 HydrophobicContact CG-CG 4.12Å; Y551-F577 PolarHBondContact OH-O 3.27Å
552	D	93.9	Very high	96.8	Very high	72 Å²	72	34.2 Å²	34.2	39%	0.385	18%	0.183	S	C	.	.	S	Bend	trans	-62.5	-57.6	-174	-63.8	8.4	0	0	0	110.9	R478	R478-D552 WeakPolarHBondContact CB-OD2 3.5Å
553	N	90.4	Very high	96.6	Very high	109 Å²	109	41.2 Å²	41.2	58%	0.583	21%	0.212	S	C	*	.	S	Bend	trans	-108.7	12.6	176.1	-63.9	-28.5	0	0	0	112.5
554	L	97.6	Very high	96.2	Very high	17 Å²	17	49 Å²	49	9%	0.089	25%	0.254	C	S	.	.	S	Bend	trans	-133.8	153.6	-170.4	-66.7	178.3	0	0	0	110.8	N480 F482 R505 L508 T550 Y551	N480-L554 HydrophobicContact CB-CD1 3.73Å; F482-L554 HydrophobicContact CD1-CD1 4.45Å; F482-L554 HydrophobicContact CD1-CD2 4.06Å; F482-L554 HydrophobicContact CE1-CD1 4.5Å; F482-L554 HydrophobicContact CE1-CD2 3.75Å; R505-L554 HydrophobicContact CB-CD1 4.27Å; R505-L554 HydrophobicContact CG-CD1 3.71Å; L508-L554 HydrophobicContact CD1-CB 4.29Å; L508-L554 HydrophobicContact CD1-CD1 3.98Å; L508-L554 HydrophobicContact CD1-CD2 4.1Å; L508-L554 HydrophobicContact CD1-CG 4.38Å; T550-L554 HydrophobicContact CG2-CD1 4.27Å; Y551-L554 CarbonylContact C-O 3.1Å; Y551-L554 WeakPolarHBondContact CA-O 3.48Å
555	P	97.4	Very high	95.9	Very high	79 Å²	79	50.8 Å²	50.8	51%	0.513	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.6	136.9	175	25.7	-34.1	0	0	0	110.5	R505 L508 F557	R505-P555 PolarHBondContact NH1-O 2.86Å; R505-P555 PolarHBondContact NH2-O 3.46Å; L508-P555 HydrophobicContact CD2-CG 4.17Å; P555-F557 PolarHBondContact O-N 2.62Å
556	P	98	Very high	95.7	Very high	36 Å²	36	56.3 Å²	56.3	23%	0.234	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.9	138.7	172.9	-23.7	31.5	0	0	0	111.4	Y551 K574 Q576	Y551-P556 HydrophobicContact CG-CG 4.47Å; P556-K574 HydrophobicContact CB-CG 4.33Å; P556-Q576 HydrophobicContact CB-CB 4.04Å; P556-Q576 HydrophobicContact CB-CG 4.39Å; P556-Q576 HydrophobicContact CG-CB 4.28Å; P556-Q576 HydrophobicContact CG-CG 4.12Å
557	F	98.4	Very high	95.6	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.013	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.1	176.5	171.3	-101.2	0	0	0	110.7	Y268 M271 E507 L524 P549 P555 W559 I562 W575	Y268-F557 HydrophobicContact CD2-CD2 4.06Å; Y268-F557 HydrophobicContact CD2-CE1 4.22Å; Y268-F557 AromaticContact CD2-CE2 3.6Å; Y268-F557 HydrophobicContact CD2-CE2 3.6Å; Y268-F557 AromaticContact CD2-CZ 3.71Å; Y268-F557 HydrophobicContact CD2-CZ 3.71Å; Y268-F557 AromaticContact CE2-CD2 3.85Å; Y268-F557 HydrophobicContact CE2-CD2 3.85Å; Y268-F557 AromaticContact CE2-CE2 3.81Å; Y268-F557 HydrophobicContact CE2-CE2 3.81Å; Y268-F557 HydrophobicContact CE2-CG 4.39Å; Y268-F557 HydrophobicContact CE2-CZ 4.34Å; M271-F557 HydrophobicContact CE-CD1 4.31Å; M271-F557 HydrophobicContact CE-CE1 4.12Å; E507-F557 HydrophobicContact CG-CD2 3.87Å; E507-F557 HydrophobicContact CG-CE2 4.12Å; L524-F557 HydrophobicContact CD2-CE2 4.48Å; P549-F557 HydrophobicContact CB-CB 4.08Å; P549-F557 HydrophobicContact CG-CB 3.76Å; P549-F557 HydrophobicContact CG-CD1 4.24Å; P549-F557 HydrophobicContact CG-CG 4.04Å; P555-F557 PolarHBondContact O-N 2.62Å; F557-W559 AromaticContact CE1-CD1 3.76Å; F557-W559 AromaticContact CE1-CD2 3.84Å; F557-W559 HydrophobicContact CE1-CD2 3.84Å; F557-W559 AromaticContact CE1-CE2 3.55Å; F557-W559 AromaticContact CE1-CG 3.97Å; F557-W559 HydrophobicContact CE1-CG 3.97Å; F557-W559 HydrophobicContact CE1-CZ2 4.04Å; F557-W559 AromaticContact CE1-NE1 3.52Å; F557-W559 AromaticContact CZ-CD2 3.69Å; F557-W559 HydrophobicContact CZ-CD2 3.69Å; F557-W559 AromaticContact CZ-CE2 3.71Å; F557-W559 AromaticContact CZ-CE3 3.95Å; F557-W559 HydrophobicContact CZ-CE3 3.95Å; F557-W559 HydrophobicContact CZ-CG 4.14Å; F557-W559 HydrophobicContact CZ-CH2 4.22Å; F557-W559 AromaticContact CZ-CZ2 3.99Å; F557-W559 HydrophobicContact CZ-CZ2 3.99Å; F557-W559 HydrophobicContact CZ-CZ3 4.21Å; F557-I562 HydrophobicContact CE2-CD1 3.83Å; F557-I562 HydrophobicContact CE2-CG1 3.84Å; F557-I562 HydrophobicContact CZ-CG1 4.14Å; F557-W575 HydrophobicContact CB-CB 4.41Å; F557-W575 HydrophobicContact CD1-CB 4.22Å; F557-W575 AromaticContact CD1-CD1 3.43Å; F557-W575 VanDerWaalsContact CD1-CD1 3.43Å; F557-W575 AromaticContact CD1-CG 3.9Å; F557-W575 HydrophobicContact CD1-CG 3.9Å; F557-W575 AromaticContact CE1-CD1 3.83Å; F557-W575 PolarHBondContact O-N 2.98Å
558	R	98	Very high	95.5	Very high	100 Å²	100	60.4 Å²	60.4	38%	0.377	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	124	179.4	-64.6	-172.9	66.9	176.4	-1.2	111.5	S560 L561 D573 K574	R558-S560 PolarHBondContact O-N 2.92Å; R558-L561 HydrophobicContact CB-CB 4.44Å; R558-L561 HydrophobicContact CB-CD1 3.94Å; R558-L561 HydrophobicContact CB-CG 3.89Å; R558-L561 HydrophobicContact CG-CD1 4.42Å; R558-L561 PolarHBondContact O-N 3.4Å; R558-D573 CarbonylContact C-O 3.53Å; R558-D573 VanDerWaalsContact CA-O 3.25Å; R558-D573 WeakPolarHBondContact CA-O 3.34Å; R558-D573 IonicContact CZ-OD2 3.67Å; R558-D573 IonicContact NE-OD2 3.34Å; R558-D573 PolarHBondContact NE-OD2 2.74Å; R558-D573 IonicContact NH2-OD2 3.07Å; R558-D573 PolarHBondContact NH2-OD2 2.86Å; R558-K574 HydrophobicContact CG-CB 3.92Å; R558-K574 HydrophobicContact CG-CD 4.48Å; R558-K574 HydrophobicContact CG-CG 3.83Å
559	W	97.7	Very high	95.5	Very high	5 Å²	5	63.6 Å²	63.6	2%	0.019	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-63.1	-40.4	179.6	-79.9	109	0	0	0	113.2	H239 L524 F557 L561 I562 V565 K567 P568 H571 D573 W575	H239-W559 AromaticContact CE1-CH2 3.57Å; H239-W559 AromaticContact CE1-CZ3 3.67Å; L524-W559 HydrophobicContact CD1-CH2 4.36Å; L524-W559 HydrophobicContact CD1-CZ3 3.94Å; F557-W559 AromaticContact CE1-CD1 3.76Å; F557-W559 AromaticContact CE1-CD2 3.84Å; F557-W559 HydrophobicContact CE1-CD2 3.84Å; F557-W559 AromaticContact CE1-CE2 3.55Å; F557-W559 AromaticContact CE1-CG 3.97Å; F557-W559 HydrophobicContact CE1-CG 3.97Å; F557-W559 HydrophobicContact CE1-CZ2 4.04Å; F557-W559 AromaticContact CE1-NE1 3.52Å; F557-W559 AromaticContact CZ-CD2 3.69Å; F557-W559 HydrophobicContact CZ-CD2 3.69Å; F557-W559 AromaticContact CZ-CE2 3.71Å; F557-W559 AromaticContact CZ-CE3 3.95Å; F557-W559 HydrophobicContact CZ-CE3 3.95Å; F557-W559 HydrophobicContact CZ-CG 4.14Å; F557-W559 HydrophobicContact CZ-CH2 4.22Å; F557-W559 AromaticContact CZ-CZ2 3.99Å; F557-W559 HydrophobicContact CZ-CZ2 3.99Å; F557-W559 HydrophobicContact CZ-CZ3 4.21Å; W559-L561 PolarHBondContact O-N 3.39Å; W559-I562 HydrophobicContact CE3-CG1 4.39Å; W559-I562 WeakPolarHBondContact O-CB 3.29Å; W559-I562 PolarHBondContact O-N 2.89Å; W559-V565 HydrophobicContact CZ3-CG1 4.21Å; W559-K567 HydrophobicContact CB-CB 3.98Å; W559-K567 HydrophobicContact CB-CD 3.92Å; W559-K567 HydrophobicContact CB-CG 3.65Å; W559-K567 HydrophobicContact CD2-CG 4.15Å; W559-K567 HydrophobicContact CG-CB 4.2Å; W559-K567 HydrophobicContact CG-CD 4.15Å; W559-K567 HydrophobicContact CG-CG 3.57Å; W559-P568 VanDerWaalsContact CE2-CD 3.4Å; W559-P568 HydrophobicContact CH2-CG 3.73Å; W559-P568 VanDerWaalsContact CZ2-CD 3.4Å; W559-P568 HydrophobicContact CZ2-CG 3.51Å; W559-P568 HydrophobicContact CZ3-CG 4.37Å; W559-H571 AromaticContact CE2-ND1 3.83Å; W559-H571 AromaticContact CZ2-ND1 3.82Å; W559-H571 AromaticContact NE1-ND1 3.4Å; W559-H571 PolarHBondContact NE1-ND1 2.8Å; W559-D573 PolarHBondContact N-O 3.23Å; W559-W575 AromaticContact CD1-NE1 3.5Å; W559-W575 AromaticContact NE1-NE1 3.34Å
560	S	96.4	Very high	95.4	Very high	73 Å²	73	66.4 Å²	66.4	51%	0.51	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.7	-14.4	177.3	50	0	0	0	0	114.8	R558 D573	R558-S560 PolarHBondContact O-N 2.92Å; S560-D573 WeakPolarHBondContact CB-OD1 3.5Å; S560-D573 PolarHBondContact N-OD1 3.34Å; S560-D573 VanDerWaalsContact OG-CG 3.25Å; S560-D573 PolarHBondContact OG-OD1 3.4Å; S560-D573 PolarHBondContact OG-OD2 2.95Å
561	L	95.4	Very high	95.4	Very high	123 Å²	123	66.5 Å²	66.5	64%	0.644	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-93.9	-9.1	175.6	-58.4	-176.3	0	0	0	113.2	R558 W559	R558-L561 HydrophobicContact CB-CB 4.44Å; R558-L561 HydrophobicContact CB-CD1 3.94Å; R558-L561 HydrophobicContact CB-CG 3.89Å; R558-L561 HydrophobicContact CG-CD1 4.42Å; R558-L561 PolarHBondContact O-N 3.4Å; W559-L561 PolarHBondContact O-N 3.39Å
562	I	95.2	Very high	95.4	Very high	28 Å²	28	64.8 Å²	64.8	14%	0.144	33%	0.334	C	S	.	.			trans	-86	128.4	179.9	-54.3	-52.4	0	0	0	109.4	L524 F557 W559 V565	L524-I562 HydrophobicContact CD1-CG2 4.02Å; L524-I562 HydrophobicContact CD2-CD1 3.99Å; L524-I562 HydrophobicContact CD2-CG1 4.09Å; L524-I562 HydrophobicContact CD2-CG2 3.79Å; L524-I562 HydrophobicContact CG-CG2 4.46Å; F557-I562 HydrophobicContact CE2-CD1 3.83Å; F557-I562 HydrophobicContact CE2-CG1 3.84Å; F557-I562 HydrophobicContact CZ-CG1 4.14Å; W559-I562 HydrophobicContact CE3-CG1 4.39Å; W559-I562 WeakPolarHBondContact O-CB 3.29Å; W559-I562 PolarHBondContact O-N 2.89Å; I562-V565 HydrophobicContact CG2-CB 4.08Å; I562-V565 HydrophobicContact CG2-CG2 4.4Å
563	K	89.9	Confident	95.5	Very high	168 Å²	168	63.6 Å²	63.6	73%	0.73	33%	0.327	S	S	*	.	S	Bend	trans	-88.1	150.1	177.1	-61.4	-174.7	-179.1	-177.1	0	111	V565	K563-V565 PolarHBondContact O-N 2.02Å; K563-V565 VanDerWaalsContact O-N 3.09Å
564	D	87	Confident	95.9	Very high	165 Å²	165	62.7 Å²	62.7	88%	0.882	32%	0.318	S	S	*	.	S	Bend	trans	59.7	19.6	169.5	-47.1	-48.5	0	0	0	115.5
565	V	90.8	Very high	95.9	Very high	36 Å²	36	61.9 Å²	61.9	22%	0.218	31%	0.314	C	S	.	.	S	Bend	trans	-139.5	132.8	176.5	-179.7	0	0	0	0	108.9	H239 L524 W559 I562 K563	H239-V565 WeakPolarHBondContact CE1-CG1 3.48Å; L524-V565 HydrophobicContact CD1-CB 4.04Å; L524-V565 HydrophobicContact CD1-CG1 3.72Å; L524-V565 HydrophobicContact CD1-CG2 3.84Å; W559-V565 HydrophobicContact CZ3-CG1 4.21Å; I562-V565 HydrophobicContact CG2-CB 4.08Å; I562-V565 HydrophobicContact CG2-CG2 4.4Å; K563-V565 PolarHBondContact O-N 2.02Å; K563-V565 VanDerWaalsContact O-N 3.09Å
566	E	93.6	Very high	95.9	Very high	117 Å²	117	62.4 Å²	62.4	55%	0.547	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-80.9	139.8	178.2	-169	172.6	167.3	0	0	110.6	L237 H239 P568	L237-E566 HydrophobicContact CB-CB 4.31Å; L237-E566 HydrophobicContact CD2-CB 3.88Å; L237-E566 VanDerWaalsContact CD2-CD 3.42Å; L237-E566 HydrophobicContact CD2-CG 3.9Å; L237-E566 VanDerWaalsContact CD2-OE2 3.25Å; L237-E566 WeakPolarHBondContact CD2-OE2 3.28Å; L237-E566 PolarHBondContact O-N 3.09Å; H239-E566 PolarHBondContact NE2-O 3.06Å; E566-P568 WeakPolarHBondContact O-CD 3.39Å
567	K	96.5	Very high	95.9	Very high	91 Å²	91	61.2 Å²	61.2	40%	0.396	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-58.7	125.2	174.9	-176.3	-178.4	74	149.2	0	108.8	W559 H571	W559-K567 HydrophobicContact CB-CB 3.98Å; W559-K567 HydrophobicContact CB-CD 3.92Å; W559-K567 HydrophobicContact CB-CG 3.65Å; W559-K567 HydrophobicContact CD2-CG 4.15Å; W559-K567 HydrophobicContact CG-CB 4.2Å; W559-K567 HydrophobicContact CG-CD 4.15Å; W559-K567 HydrophobicContact CG-CG 3.57Å; K567-H571 WeakPolarHBondContact CE-O 3.14Å; K567-H571 HydrophobicContact CG-CB 4.27Å; K567-H571 PolarHBondContact NZ-O 3.11Å
568	P	97	Very high	95.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56.4	146.6	174.1	-18.8	28.4	0	0	0	111.8	N124 W559 E566 H571	N124-P568 HydrophobicContact CB-CB 4.05Å; N124-P568 WeakPolarHBondContact ND2-CB 3.48Å; N124-P568 WeakPolarHBondContact OD1-CA 3.34Å; N124-P568 WeakPolarHBondContact OD1-CB 3.4Å; W559-P568 VanDerWaalsContact CE2-CD 3.4Å; W559-P568 HydrophobicContact CH2-CG 3.73Å; W559-P568 VanDerWaalsContact CZ2-CD 3.4Å; W559-P568 HydrophobicContact CZ2-CG 3.51Å; W559-P568 HydrophobicContact CZ3-CG 4.37Å; E566-P568 WeakPolarHBondContact O-CD 3.39Å; P568-H571 HydrophobicContact CB-CB 4.45Å; P568-H571 WeakPolarHBondContact O-CB 3.42Å; P568-H571 PolarHBondContact O-N 2.71Å
569	L	97.6	Very high	95.6	Very high	66 Å²	66	61.1 Å²	61.1	35%	0.346	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	143.7	179.1	-62.1	-176.4	0	0	0	111.2	I123 N124 H571	I123-L569 HydrophobicContact CB-CD1 3.91Å; I123-L569 HydrophobicContact CD1-CD1 3.49Å; I123-L569 VanDerWaalsContact CD1-CD1 3.49Å; I123-L569 HydrophobicContact CG1-CD1 4.28Å; I123-L569 HydrophobicContact CG2-CD1 3.63Å; I123-L569 HydrophobicContact CG2-CG 4.25Å; N124-L569 PolarHBondContact ND2-N 3.18Å; N124-L569 PolarHBondContact ND2-O 3.28Å; N124-L569 PolarHBondContact OD1-N 2.94Å; L569-H571 PolarHBondContact O-CD2 3.31Å; L569-H571 PolarHBondContact O-N 3.35Å
570	M	97	Very high	95.4	Very high	60 Å²	60	61.1 Å²	61.1	30%	0.296	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	5.8	-176.6	-62.1	-175	70.4	0	0	115.8	E79 L117 S120 L272	E79-M570 WeakPolarHBondContact OE1-CE 3.47Å; L117-M570 HydrophobicContact CG-CE 4Å; L117-M570 HydrophobicContact CG-SD 4.36Å; S120-M570 VanDerWaalsContact OG-CG 3.3Å; S120-M570 WeakPolarHBondContact OG-CG 3.25Å; S120-M570 PolarHBondContact OG-SD 2.82Å; L272-M570 HydrophobicContact CD1-CB 4.37Å; L272-M570 HydrophobicContact CD2-CB 3.82Å
571	H	97.7	Very high	95.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.293	C	S	.	.			trans	-74.4	135.3	172.2	-77.3	-153.1	0	0	0	110.6	Y268 L272 W559 K567 P568 L569 W575	Y268-H571 PolarHBondContact O-CE1 2.96Å; L272-H571 VanDerWaalsContact CD2-CD2 3.46Å; L272-H571 WeakPolarHBondContact CD2-CD2 3.36Å; L272-H571 PolarHBondContact N-NE2 2.69Å; W559-H571 AromaticContact CE2-ND1 3.83Å; W559-H571 AromaticContact CZ2-ND1 3.82Å; W559-H571 AromaticContact NE1-ND1 3.4Å; W559-H571 PolarHBondContact NE1-ND1 2.8Å; K567-H571 WeakPolarHBondContact CE-O 3.14Å; K567-H571 HydrophobicContact CG-CB 4.27Å; K567-H571 PolarHBondContact NZ-O 3.11Å; P568-H571 HydrophobicContact CB-CB 4.45Å; P568-H571 WeakPolarHBondContact O-CB 3.42Å; P568-H571 PolarHBondContact O-N 2.71Å; L569-H571 PolarHBondContact O-CD2 3.31Å; L569-H571 PolarHBondContact O-N 3.35Å; H571-W575 HydrophobicContact CB-CZ2 4.03Å; H571-W575 AromaticContact CG-CZ2 3.85Å; H571-W575 AromaticContact ND1-CZ2 3.74Å
572	P	97.5	Very high	94.9	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.071	26%	0.263	C	S	.	.			trans	-56	144	161	-24.6	36	0	0	0	110.2	I81 W575 F577	I81-P572 HydrophobicContact CG2-CG 3.8Å; I81-P572 WeakPolarHBondContact O-CG 3.34Å; P572-W575 HydrophobicContact CG-CZ2 4.44Å; P572-W575 PolarHBondContact O-NE1 2.95Å; P572-F577 HydrophobicContact CB-CE2 4.39Å; P572-F577 HydrophobicContact CB-CZ 3.65Å; P572-F577 HydrophobicContact CG-CE2 4.25Å; P572-F577 HydrophobicContact CG-CZ 3.6Å
573	D	97.4	Very high	94.3	Very high	46 Å²	46	58 Å²	58	25%	0.246	28%	0.282	C	S	.	.	S	Bend	trans	-64.1	-53.4	175.5	175.3	56.4	0	0	0	110.5	R558 W559 S560	R558-D573 CarbonylContact C-O 3.53Å; R558-D573 VanDerWaalsContact CA-O 3.25Å; R558-D573 WeakPolarHBondContact CA-O 3.34Å; R558-D573 IonicContact CZ-OD2 3.67Å; R558-D573 IonicContact NE-OD2 3.34Å; R558-D573 PolarHBondContact NE-OD2 2.74Å; R558-D573 IonicContact NH2-OD2 3.07Å; R558-D573 PolarHBondContact NH2-OD2 2.86Å; W559-D573 PolarHBondContact N-O 3.23Å; S560-D573 WeakPolarHBondContact CB-OD1 3.5Å; S560-D573 PolarHBondContact N-OD1 3.34Å; S560-D573 VanDerWaalsContact OG-CG 3.25Å; S560-D573 PolarHBondContact OG-OD1 3.4Å; S560-D573 PolarHBondContact OG-OD2 2.95Å
574	K	98	Very high	93.6	Very high	90 Å²	90	51.2 Å²	51.2	39%	0.391	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.4	-177.7	-178.7	178.2	178	-165.6	0	110.3	P556 R558 Q576	P556-K574 HydrophobicContact CB-CG 4.33Å; R558-K574 HydrophobicContact CG-CB 3.92Å; R558-K574 HydrophobicContact CG-CD 4.48Å; R558-K574 HydrophobicContact CG-CG 3.83Å; K574-Q576 HydrophobicContact CG-CB 4.34Å
575	W	98.1	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	88.8	179.1	-68.9	72.4	0	0	0	109.4	M271 F557 W559 H571 P572 F577	M271-W575 HydrophobicContact CB-CH2 3.41Å; M271-W575 VanDerWaalsContact CB-CH2 3.41Å; M271-W575 HydrophobicContact CB-CZ2 3.81Å; M271-W575 HydrophobicContact CB-CZ3 3.85Å; M271-W575 HydrophobicContact CE-CD2 3.74Å; M271-W575 HydrophobicContact CE-CE3 4.16Å; M271-W575 HydrophobicContact CE-CG 4.26Å; M271-W575 HydrophobicContact CE-CH2 4.28Å; M271-W575 HydrophobicContact CE-CZ2 3.81Å; M271-W575 HydrophobicContact CE-CZ3 4.42Å; M271-W575 WeakPolarHBondContact O-CH2 3.06Å; M271-W575 HydrophobicContact SD-CD2 4.35Å; M271-W575 HydrophobicContact SD-CE3 4.18Å; M271-W575 HydrophobicContact SD-CZ3 4.28Å; F557-W575 HydrophobicContact CB-CB 4.41Å; F557-W575 HydrophobicContact CD1-CB 4.22Å; F557-W575 AromaticContact CD1-CD1 3.43Å; F557-W575 VanDerWaalsContact CD1-CD1 3.43Å; F557-W575 AromaticContact CD1-CG 3.9Å; F557-W575 HydrophobicContact CD1-CG 3.9Å; F557-W575 AromaticContact CE1-CD1 3.83Å; F557-W575 PolarHBondContact O-N 2.98Å; W559-W575 AromaticContact CD1-NE1 3.5Å; W559-W575 AromaticContact NE1-NE1 3.34Å; H571-W575 HydrophobicContact CB-CZ2 4.03Å; H571-W575 AromaticContact CG-CZ2 3.85Å; H571-W575 AromaticContact ND1-CZ2 3.74Å; P572-W575 HydrophobicContact CG-CZ2 4.44Å; P572-W575 PolarHBondContact O-NE1 2.95Å; W575-F577 HydrophobicContact CB-CE2 4.29Å; W575-F577 AromaticContact CD2-CE2 3.89Å; W575-F577 HydrophobicContact CD2-CE2 3.89Å; W575-F577 AromaticContact CE3-CD2 3.95Å; W575-F577 HydrophobicContact CE3-CD2 3.95Å; W575-F577 AromaticContact CE3-CE2 3.47Å; W575-F577 HydrophobicContact CE3-CE2 3.47Å; W575-F577 VanDerWaalsContact CE3-CE2 3.47Å; W575-F577 HydrophobicContact CG-CE2 4.27Å; W575-F577 HydrophobicContact CZ3-CD2 4.46Å; W575-F577 AromaticContact CZ3-CE2 3.94Å; W575-F577 HydrophobicContact CZ3-CE2 3.94Å
576	Q	97.4	Very high	91.1	Very high	91 Å²	91	47.7 Å²	47.7	43%	0.425	23%	0.232	S	C	.	.			trans	-142.9	72.4	177.2	-168	-178.5	7.4	0	0	109.1	Y551 P556 K574	Y551-Q576 HydrophobicContact CD1-CB 4.49Å; Y551-Q576 HydrophobicContact CD1-CG 4.17Å; Y551-Q576 HydrophobicContact CD2-CG 3.89Å; Y551-Q576 HydrophobicContact CE1-CB 4.43Å; Y551-Q576 HydrophobicContact CE1-CG 4Å; Y551-Q576 HydrophobicContact CE2-CG 3.73Å; Y551-Q576 HydrophobicContact CG-CG 4.12Å; P556-Q576 HydrophobicContact CB-CB 4.04Å; P556-Q576 HydrophobicContact CB-CG 4.39Å; P556-Q576 HydrophobicContact CG-CB 4.28Å; P556-Q576 HydrophobicContact CG-CG 4.12Å; K574-Q576 HydrophobicContact CG-CB 4.34Å
577	F	96.7	Very high	89.4	Confident	11 Å²	11	43.6 Å²	43.6	5%	0.048	21%	0.211	C	C	.	.			trans	-104.3	140.2	-173.5	-59.8	-65.1	0	0	0	111.8	T84 I546 Y551 P572 W575	T84-F577 VanDerWaalsContact C-CD1 3.49Å; T84-F577 VanDerWaalsContact C-CG 3.43Å; T84-F577 WeakPolarHBondContact O-CB 3.32Å; I546-F577 WeakPolarHBondContact CD1-O 3.26Å; I546-F577 WeakPolarHBondContact CG1-O 3.35Å; Y551-F577 PolarHBondContact OH-O 3.27Å; P572-F577 HydrophobicContact CB-CE2 4.39Å; P572-F577 HydrophobicContact CB-CZ 3.65Å; P572-F577 HydrophobicContact CG-CE2 4.25Å; P572-F577 HydrophobicContact CG-CZ 3.6Å; W575-F577 HydrophobicContact CB-CE2 4.29Å; W575-F577 AromaticContact CD2-CE2 3.89Å; W575-F577 HydrophobicContact CD2-CE2 3.89Å; W575-F577 AromaticContact CE3-CD2 3.95Å; W575-F577 HydrophobicContact CE3-CD2 3.95Å; W575-F577 AromaticContact CE3-CE2 3.47Å; W575-F577 HydrophobicContact CE3-CE2 3.47Å; W575-F577 VanDerWaalsContact CE3-CE2 3.47Å; W575-F577 HydrophobicContact CG-CE2 4.27Å; W575-F577 HydrophobicContact CZ3-CD2 4.46Å; W575-F577 AromaticContact CZ3-CE2 3.94Å; W575-F577 HydrophobicContact CZ3-CE2 3.94Å
578	P	94.4	Very high	87.4	Confident	71 Å²	71	42.7 Å²	42.7	46%	0.461	21%	0.211	S	C	.	.			trans	-65.2	157.7	170.2	31.6	-35.2	0	0	0	110.3
579	P	95.4	Very high	85.1	Confident	30 Å²	30	45.5 Å²	45.5	20%	0.195	23%	0.231	C	C	.	.			trans	-61.6	156.8	165	-7.3	20.6	0	0	0	110.6	M474 I544 A545 I546 L601 F605	M474-P579 HydrophobicContact CE-CB 4.28Å; I544-P579 HydrophobicContact CG2-CB 4.08Å; A545-P579 CarbonylContact O-C 3.36Å; A545-P579 VanDerWaalsContact O-CA 3.28Å; A545-P579 WeakPolarHBondContact O-CA 3.42Å; I546-P579 HydrophobicContact CB-CB 4.1Å; I546-P579 HydrophobicContact CB-CG 4.36Å; I546-P579 HydrophobicContact CD1-CG 4.17Å; P579-L601 HydrophobicContact CB-CD1 3.65Å; P579-L601 HydrophobicContact CG-CD1 4.46Å; P579-L601 WeakPolarHBondContact O-CD1 3.28Å; P579-F605 HydrophobicContact CG-CE2 4.49Å; P579-F605 HydrophobicContact CG-CZ 4.12Å
580	V	94.7	Very high	82.4	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.4	176	-62	0	0	0	0	110.2	T84 W86 L275 I544 A545 F598	T84-V580 HydrophobicContact CG2-CG1 3.83Å; W86-V580 HydrophobicContact CG-CG2 4.36Å; L275-V580 HydrophobicContact CD1-CG2 4.02Å; I544-V580 CarbonylContact C-O 3.56Å; I544-V580 WeakPolarHBondContact CA-O 3.13Å; A545-V580 HydrophobicContact CB-CG2 4.29Å; A545-V580 PolarHBondContact N-O 2.98Å; A545-V580 WeakPolarHBondContact O-CG2 3.45Å; A545-V580 PolarHBondContact O-N 3.19Å; V580-F598 HydrophobicContact CB-CB 4.43Å; V580-F598 HydrophobicContact CB-CD1 3.59Å; V580-F598 HydrophobicContact CB-CE1 4.14Å; V580-F598 HydrophobicContact CB-CG 4.23Å; V580-F598 HydrophobicContact CG1-CB 4.49Å; V580-F598 HydrophobicContact CG1-CD1 4.14Å; V580-F598 HydrophobicContact CG1-CG 4.36Å; V580-F598 HydrophobicContact CG2-CD1 3.62Å; V580-F598 HydrophobicContact CG2-CE1 3.62Å
581	V	92.8	Very high	79.6	Confident	13 Å²	13	57.2 Å²	57.2	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130	167.9	178.9	0	0	0	0	108.7	M537 M543 I544 L601 L604	M537-V581 HydrophobicContact CE-CG1 3.91Å; M543-V581 WeakPolarHBondContact O-CA 3.45Å; I544-V581 HydrophobicContact CG1-CG2 4.19Å; V581-L601 HydrophobicContact CG2-CD1 3.91Å; V581-L601 HydrophobicContact CG2-CD2 3.25Å; V581-L601 HydrophobicContact CG2-CG 3.5Å; V581-L604 HydrophobicContact CG2-CD1 4.22Å
582	T	88.4	Confident	76.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.3	170.2	62.6	0	0	0	0	110	L275 N542 M543 F584	L275-T582 HydrophobicContact CB-CG2 4.14Å; L275-T582 HydrophobicContact CD1-CG2 3.86Å; L275-T582 HydrophobicContact CD2-CG2 4.29Å; L275-T582 HydrophobicContact CG-CG2 4.31Å; N542-T582 VanDerWaalsContact CA-OG1 3.26Å; N542-T582 WeakPolarHBondContact CA-OG1 3.21Å; N542-T582 WeakPolarHBondContact CB-O 3.42Å; N542-T582 PolarHBondContact OD1-O 2.94Å; M543-T582 HydrophobicContact CG-CG2 3.83Å; M543-T582 PolarHBondContact N-OG1 3.17Å; M543-T582 PolarHBondContact O-N 3.22Å; M543-T582 PolarHBondContact O-OG1 2.97Å; T582-F584 HydrophobicContact CG2-CD2 4.44Å; T582-F584 HydrophobicContact CG2-CE2 3.53Å; T582-F584 HydrophobicContact CG2-CZ 3.91Å
583	R	83	Confident	73.7	Confident	143 Å²	143	62.8 Å²	62.8	54%	0.54	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	97.7	159.3	-70.8	-157.6	-176	158	8.5	109.2	R597 L599	R583-R597 PolarHBondContact N-O 3.12Å; R583-R597 VanDerWaalsContact N-O 3.09Å; R583-R597 PolarHBondContact O-N 3.2Å; R583-L599 HydrophobicContact CG-CD1 3.98Å
584	F	74.6	Confident	71.1	Confident	26 Å²	26	61 Å²	61	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.4	174.7	-60.3	-68.2	0	0	0	109.3	T90 L275 H277 T299 T582 A596	T90-F584 WeakPolarHBondContact OG1-CD1 3.18Å; L275-F584 HydrophobicContact CB-CZ 4.1Å; H277-F584 HydrophobicContact CB-CB 3.83Å; H277-F584 HydrophobicContact CB-CD1 3.69Å; H277-F584 HydrophobicContact CB-CD2 3.75Å; H277-F584 HydrophobicContact CB-CE1 4.12Å; H277-F584 HydrophobicContact CB-CE2 4.17Å; H277-F584 HydrophobicContact CB-CG 3.48Å; H277-F584 VanDerWaalsContact CB-CG 3.48Å; H277-F584 HydrophobicContact CB-CZ 4.35Å; H277-F584 AromaticContact CG-CG 3.95Å; T299-F584 HydrophobicContact CG2-CD2 3.73Å; T299-F584 HydrophobicContact CG2-CE2 3.41Å; T299-F584 VanDerWaalsContact CG2-CE2 3.41Å; T582-F584 HydrophobicContact CG2-CD2 4.44Å; T582-F584 HydrophobicContact CG2-CE2 3.53Å; T582-F584 HydrophobicContact CG2-CZ 3.91Å; F584-A596 HydrophobicContact CD1-CB 4.2Å; F584-A596 HydrophobicContact CE1-CB 4.33Å
585	I	64.6	Low	68.3	Low	56 Å²	56	57.1 Å²	57.1	29%	0.287	29%	0.294	S	S	.	.			trans	-94.1	142.6	177	-59.3	176.2	0	0	0	108.9	Y587 N593 S595	I585-Y587 WeakPolarHBondContact O-CD2 3.29Å; I585-Y587 WeakPolarHBondContact O-CE2 3.39Å; I585-Y587 PolarHBondContact O-N 2.9Å; I585-N593 WeakPolarHBondContact CG2-O 3.18Å; I585-S595 VanDerWaalsContact CD1-OG 3.29Å; I585-S595 WeakPolarHBondContact CD1-OG 3.25Å; I585-S595 WeakPolarHBondContact CG1-O 3.48Å
586	D	60.8	Low	65.7	Low	71 Å²	71	57.1 Å²	57.1	38%	0.38	29%	0.294	S	S	.	.			trans	-79.9	106.1	173.2	-169.1	-5.3	0	0	0	111.4	N279 L588 S589	N279-D586 VanDerWaalsContact ND2-CG 3.29Å; N279-D586 PolarHBondContact ND2-OD1 3.07Å; N279-D586 PolarHBondContact ND2-OD2 2.91Å; D586-L588 PolarHBondContact O-N 2.93Å; D586-L588 PolarHBondContact OD1-N 3.34Å; D586-L588 VanDerWaalsContact OD1-N 3.13Å; D586-S589 PolarHBondContact O-N 3.23Å; D586-S589 PolarHBondContact O-OG 2.84Å
587	Y	57.2	Low	63.4	Low	31 Å²	31	58 Å²	58	12%	0.122	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12	-177.5	-54.8	-85.5	0	0	0	114.1	A76 T90 I585 I594 A596	A76-Y587 HydrophobicContact CB-CE1 4.27Å; T90-Y587 HydrophobicContact CG2-CD2 3.68Å; T90-Y587 HydrophobicContact CG2-CE2 3.09Å; T90-Y587 PolarHBondContact OG1-OH 3.39Å; I585-Y587 WeakPolarHBondContact O-CD2 3.29Å; I585-Y587 WeakPolarHBondContact O-CE2 3.39Å; I585-Y587 PolarHBondContact O-N 2.9Å; Y587-I594 HydrophobicContact CD1-CB 3.98Å; Y587-I594 HydrophobicContact CD1-CG1 3.94Å; Y587-I594 HydrophobicContact CD1-CG2 3.68Å; Y587-I594 HydrophobicContact CE1-CB 3.83Å; Y587-I594 HydrophobicContact CE1-CG1 4.32Å; Y587-I594 HydrophobicContact CE1-CG2 3.31Å; Y587-A596 PolarHBondContact OH-N 2.97Å
588	L	55.6	Low	60.9	Low	72 Å²	72	58.5 Å²	58.5	38%	0.377	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.9	178.2	-66	174.3	0	0	0	113.3	M71 D586	M71-L588 HydrophobicContact CE-CD2 4.07Å; D586-L588 PolarHBondContact O-N 2.93Å; D586-L588 PolarHBondContact OD1-N 3.34Å; D586-L588 VanDerWaalsContact OD1-N 3.13Å
589	S	49.1	Very low	58.5	Low	60 Å²	60	57 Å²	57	42%	0.42	28%	0.284	S	S	.	.	S	Bend	trans	-73.5	129.5	174.1	73.7	0	0	0	0	110.5	D586 N591 G592	D586-S589 PolarHBondContact O-N 3.23Å; D586-S589 PolarHBondContact O-OG 2.84Å; S589-N591 PolarHBondContact O-N 3.47Å; S589-G592 PolarHBondContact O-N 2.8Å
590	K	40.3	Very low	56	Low	210 Å²	210	57.7 Å²	57.7	91%	0.913	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-7.4	-174.9	-75.4	-175.8	175.8	-179.7	0	115.7
591	N	37.5	Very low	54	Low	162 Å²	162	58.3 Å²	58.3	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	16.8	-178.6	-68.2	-19.8	0	0	0	113.5	S589	S589-N591 PolarHBondContact O-N 3.47Å
592	G	37.5	Very low	51.6	Low	26 Å²	26	61.1 Å²	61.1	27%	0.268	31%	0.305	S	S	.	.			trans	-82.7	123.3	-168.9	0	0	0	0	0	115.6	S589	S589-G592 PolarHBondContact O-N 2.8Å
593	N	34.3	Very low	49	Very low	103 Å²	103	66.7 Å²	66.7	55%	0.551	34%	0.344	S	S	*	.			trans	-61.2	134.9	160.5	-85.2	-21	0	0	0	110.1	I585 S595	I585-N593 WeakPolarHBondContact CG2-O 3.18Å; N593-S595 PolarHBondContact O-N 3.03Å
594	I	43.1	Very low	47.1	Very low	10 Å²	10	62.7 Å²	62.7	5%	0.051	33%	0.333	C	S	.	.			trans	-87.5	91	-177.9	-58.1	173.4	0	0	0	109.5	I42 L61 E64 I74 A76 Y587	I42-I594 HydrophobicContact CD1-CB 4.18Å; I42-I594 HydrophobicContact CD1-CG2 3.44Å; I42-I594 VanDerWaalsContact CD1-CG2 3.44Å; I42-I594 HydrophobicContact CG1-CG2 3.69Å; I42-I594 HydrophobicContact CG2-CG2 4.1Å; L61-I594 HydrophobicContact CD1-CD1 4.46Å; E64-I594 VanDerWaalsContact C-CD1 3.42Å; E64-I594 HydrophobicContact CB-CB 3.81Å; E64-I594 HydrophobicContact CB-CG1 4.46Å; E64-I594 HydrophobicContact CG-CB 4.22Å; E64-I594 WeakPolarHBondContact CG-O 3.43Å; E64-I594 WeakPolarHBondContact O-CD1 2.93Å; E64-I594 WeakPolarHBondContact O-CG1 3.34Å; E64-I594 PolarHBondContact O-N 3.01Å; I74-I594 HydrophobicContact CD1-CD1 4.19Å; A76-I594 HydrophobicContact CB-CG2 4.29Å; Y587-I594 HydrophobicContact CD1-CB 3.98Å; Y587-I594 HydrophobicContact CD1-CG1 3.94Å; Y587-I594 HydrophobicContact CD1-CG2 3.68Å; Y587-I594 HydrophobicContact CE1-CB 3.83Å; Y587-I594 HydrophobicContact CE1-CG1 4.32Å; Y587-I594 HydrophobicContact CE1-CG2 3.31Å
595	S	39.4	Very low	45.6	Very low	7 Å²	7	66 Å²	66	5%	0.049	35%	0.347	C	S	.	.			trans	-142.5	125.5	171.8	93.3	0	0	0	0	113.2	I585 N593 R597	I585-S595 VanDerWaalsContact CD1-OG 3.29Å; I585-S595 WeakPolarHBondContact CD1-OG 3.25Å; I585-S595 WeakPolarHBondContact CG1-O 3.48Å; N593-S595 PolarHBondContact O-N 3.03Å; S595-R597 VanDerWaalsContact CB-NE 3.32Å; S595-R597 WeakPolarHBondContact OG-CD 3.32Å; S595-R597 WeakPolarHBondContact OG-CG 3.49Å; S595-R597 PolarHBondContact OG-NE 2.93Å
596	A	43.4	Very low	44.6	Very low	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.2	153.1	0	0	0	0	0	105.3	S88 F584 Y587	S88-A596 WeakPolarHBondContact OG-CB 3.41Å; F584-A596 HydrophobicContact CD1-CB 4.2Å; F584-A596 HydrophobicContact CE1-CB 4.33Å; Y587-A596 PolarHBondContact OH-N 2.97Å
597	R	48.6	Very low	43.8	Very low	111 Å²	111	66.3 Å²	66.3	42%	0.419	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.7	-179.1	-73	-179.2	-170.7	-170.2	8	110.6	E64 R583 S595	E64-R597 IonicContact OE1-NH2 3.61Å; E64-R597 PolarHBondContact OE1-NH2 2.8Å; E64-R597 IonicContact OE2-NH2 3.44Å; R583-R597 PolarHBondContact N-O 3.12Å; R583-R597 VanDerWaalsContact N-O 3.09Å; R583-R597 PolarHBondContact O-N 3.2Å; S595-R597 VanDerWaalsContact CB-NE 3.32Å; S595-R597 WeakPolarHBondContact OG-CD 3.32Å; S595-R597 WeakPolarHBondContact OG-CG 3.49Å; S595-R597 PolarHBondContact OG-NE 2.93Å
598	F	43.6	Very low	43	Very low	21 Å²	21	68.3 Å²	68.3	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.1	157.9	-63.2	-65	0	0	0	109.2	E78 K80 W86 L275 V580	E78-F598 WeakPolarHBondContact OE2-CD2 3.5Å; K80-F598 HydrophobicContact CB-CD2 4.45Å; K80-F598 HydrophobicContact CB-CE2 4.35Å; K80-F598 HydrophobicContact CD-CD2 3.9Å; W86-F598 HydrophobicContact CB-CZ 3.92Å; L275-F598 HydrophobicContact CD1-CE1 3.58Å; L275-F598 HydrophobicContact CD1-CZ 4Å; V580-F598 HydrophobicContact CB-CB 4.43Å; V580-F598 HydrophobicContact CB-CD1 3.59Å; V580-F598 HydrophobicContact CB-CE1 4.14Å; V580-F598 HydrophobicContact CB-CG 4.23Å; V580-F598 HydrophobicContact CG1-CB 4.49Å; V580-F598 HydrophobicContact CG1-CD1 4.14Å; V580-F598 HydrophobicContact CG1-CG 4.36Å; V580-F598 HydrophobicContact CG2-CD1 3.62Å; V580-F598 HydrophobicContact CG2-CE1 3.62Å
599	L	45.5	Very low	42.3	Very low	40 Å²	40	68.1 Å²	68.1	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.8	169.9	-73.6	162.9	0	0	0	111.1	R583	R583-L599 HydrophobicContact CG-CD1 3.98Å
600	S	42.4	Very low	41.9	Very low	43 Å²	43	68.6 Å²	68.6	30%	0.301	36%	0.357	S	S	.	.			trans	-67.3	147.9	169.2	71.2	0	0	0	0	109.7
601	L	52.7	Low	42	Very low	19 Å²	19	59.1 Å²	59.1	10%	0.099	32%	0.32	C	S	.	.			trans	-99.7	17	-159.2	-106.6	160.5	0	0	0	115.2	I544 P579 V581 S603 L604 F605	I544-L601 HydrophobicContact CD1-CD2 4.23Å; I544-L601 HydrophobicContact CG2-CD1 4.11Å; P579-L601 HydrophobicContact CB-CD1 3.65Å; P579-L601 HydrophobicContact CG-CD1 4.46Å; P579-L601 WeakPolarHBondContact O-CD1 3.28Å; V581-L601 HydrophobicContact CG2-CD1 3.91Å; V581-L601 HydrophobicContact CG2-CD2 3.25Å; V581-L601 HydrophobicContact CG2-CG 3.5Å; L601-S603 PolarHBondContact O-N 3.19Å; L601-L604 HydrophobicContact CD2-CB 3.48Å; L601-L604 VanDerWaalsContact CD2-CB 3.48Å; L601-L604 HydrophobicContact CD2-CD1 3.52Å; L601-L604 HydrophobicContact CD2-CG 4.13Å; L601-L604 PolarHBondContact O-N 3.09Å; L601-F605 HydrophobicContact CB-CD2 3.84Å; L601-F605 HydrophobicContact CB-CE2 4.2Å; L601-F605 HydrophobicContact CD1-CD2 4.22Å; L601-F605 HydrophobicContact CD1-CE2 3.7Å; L601-F605 HydrophobicContact CD2-CD2 3.77Å; L601-F605 HydrophobicContact CD2-CE2 3.63Å; L601-F605 HydrophobicContact CG-CD2 4.14Å; L601-F605 HydrophobicContact CG-CE2 4.04Å; L601-F605 PolarHBondContact O-N 2.81Å
602	E	41.7	Very low	42.3	Very low	71 Å²	71	51.8 Å²	51.8	33%	0.332	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.3	-167.4	-68.9	-172	-174.9	0	0	116.7	F30 M31 L32	F30-E602 HydrophobicContact CB-CG 4.39Å; F30-E602 VanDerWaalsContact O-OE1 3.12Å; M31-E602 VanDerWaalsContact C-OE1 3.25Å; L32-E602 WeakPolarHBondContact CA-OE1 3.15Å; L32-E602 HydrophobicContact CD2-CG 4.27Å; L32-E602 WeakPolarHBondContact CD2-OE1 3.41Å; L32-E602 WeakPolarHBondContact CD2-OE2 3.34Å; L32-E602 WeakPolarHBondContact CG-OE1 3.12Å; L32-E602 WeakPolarHBondContact CG-OE2 3.28Å; L32-E602 PolarHBondContact N-OE1 2.93Å
603	S	34.7	Very low	42.7	Very low	118 Å²	118	53.8 Å²	53.8	83%	0.825	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-6.6	174.8	54.4	0	0	0	0	113.8	L601	L601-S603 PolarHBondContact O-N 3.19Å
604	L	43.8	Very low	43.4	Very low	59 Å²	59	49.7 Å²	49.7	31%	0.309	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-16.9	-175.4	-88.2	156.5	0	0	0	113	F470 P471 I544 V581 L601	F470-L604 HydrophobicContact CD2-CD2 3.34Å; F470-L604 HydrophobicContact CE2-CD2 3.66Å; F470-L604 HydrophobicContact CG-CD2 4.23Å; P471-L604 WeakPolarHBondContact CD-O 3.48Å; P471-L604 WeakPolarHBondContact CG-O 3.01Å; I544-L604 HydrophobicContact CD1-CD1 4.31Å; I544-L604 HydrophobicContact CD1-CD2 4.49Å; V581-L604 HydrophobicContact CG2-CD1 4.22Å; L601-L604 HydrophobicContact CD2-CB 3.48Å; L601-L604 VanDerWaalsContact CD2-CB 3.48Å; L601-L604 HydrophobicContact CD2-CD1 3.52Å; L601-L604 HydrophobicContact CD2-CG 4.13Å; L601-L604 PolarHBondContact O-N 3.09Å
605	F	41.7	Very low	43.4	Very low	97 Å²	97	53.3 Å²	53.3	43%	0.425	28%	0.278	S	S	.	.			trans	-125.5	0	172.8	-66.4	-98.3	0	0	0	108	P471 M474 P579 L601	P471-F605 HydrophobicContact CB-CD1 3.72Å; P471-F605 HydrophobicContact CB-CE1 3.96Å; P471-F605 HydrophobicContact CG-CB 4.38Å; P471-F605 HydrophobicContact CG-CD1 3.55Å; P471-F605 HydrophobicContact CG-CE1 4Å; P471-F605 HydrophobicContact CG-CG 4.03Å; M474-F605 HydrophobicContact CB-CE1 4.41Å; P579-F605 HydrophobicContact CG-CE2 4.49Å; P579-F605 HydrophobicContact CG-CZ 4.12Å; L601-F605 HydrophobicContact CB-CD2 3.84Å; L601-F605 HydrophobicContact CB-CE2 4.2Å; L601-F605 HydrophobicContact CD1-CD2 4.22Å; L601-F605 HydrophobicContact CD1-CE2 3.7Å; L601-F605 HydrophobicContact CD2-CD2 3.77Å; L601-F605 HydrophobicContact CD2-CE2 3.63Å; L601-F605 HydrophobicContact CG-CD2 4.14Å; L601-F605 HydrophobicContact CG-CE2 4.04Å; L601-F605 PolarHBondContact O-N 2.81Å

Retrieved 605 of 605 residues in 143.2 ms (Link to these results)

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