A0A096MY07_PAPAN Loading...

Arylsulfatase F

AlphaFold DB , UniProt , Accession A0A096MY07, Species PAPAN (Papio anubis, Olive baboon), Gene ARSF, Length 590 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	43.9	Very low	244 Å²	244	166.5 Å²	166.5	100%	1.202	85%	0.85	S	S	*	*				0	126.6	0	-80.3	176.3	-172	0	0	109
2	R	36.7	Very low	43.8	Very low	247 Å²	247	163.5 Å²	163.5	93%	0.932	84%	0.837	S	S	*	*			trans	58.3	106.8	168.5	-65.6	-174.2	179.5	-177.6	0.1	118.9
3	P	46.8	Very low	44	Very low	131 Å²	131	158.4 Å²	158.4	85%	0.851	82%	0.817	S	S	*	*			trans	-86.4	146.9	161.8	34.1	-26.8	0	0	0	111.1
4	R	43.6	Very low	43.8	Very low	236 Å²	236	153.9 Å²	153.9	89%	0.891	81%	0.805	S	S	*	*			trans	-91.1	138	168.3	-80	179.7	166.6	170.5	-4	109.9
5	S	47.6	Very low	43.8	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	79%	0.794	S	S	*	*			trans	62.6	136.3	153.7	54.2	0	0	0	0	119.3
6	P	42.1	Very low	43.8	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	79%	0.792	S	S	*	*				-133.3	115.4	94.1	32.6	-18.7	0	0	0	112.8	V8	P6-V8 VanDerWaalsContact C-N 3.28Å; P6-V8 PolarHBondContact O-N 2.7Å
7	L	48.2	Very low	43.7	Very low	172 Å²	172	149.4 Å²	149.4	90%	0.901	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	63.9	170.7	-143	142.1	0	0	0	107.4
8	V	49.8	Very low	43.9	Very low	121 Å²	121	149.2 Å²	149.2	73%	0.733	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	-12.3	179.8	-178.5	0	0	0	0	112.9	P6 M10	P6-V8 VanDerWaalsContact C-N 3.28Å; P6-V8 PolarHBondContact O-N 2.7Å; V8-M10 PolarHBondContact O-N 3.43Å
9	F	44.2	Very low	44	Very low	182 Å²	182	148.1 Å²	148.1	80%	0.798	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	2.7	-174.5	-124.4	-91.8	0	0	0	115.9
10	M	43.5	Very low	43.8	Very low	183 Å²	183	146.8 Å²	146.8	90%	0.901	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	24.7	-173.7	-151.1	-174.2	154.4	0	0	113.8	V8	V8-M10 PolarHBondContact O-N 3.43Å
11	S	45.4	Very low	43.6	Very low	93 Å²	93	147.7 Å²	147.7	65%	0.65	79%	0.788	S	S	*	*	S	Bend	trans	-119.1	-15.1	172.4	-169.4	0	0	0	0	113.1
12	L	42.9	Very low	43.8	Very low	131 Å²	131	140 Å²	140	69%	0.686	76%	0.763	S	S	*	*	S	Bend	trans	-91.9	-8.2	-178.8	-136.8	80.1	0	0	0	114.7
13	V	45.4	Very low	43.8	Very low	97 Å²	97	135.8 Å²	135.8	59%	0.588	75%	0.754	S	S	*	*	S	Bend	trans	-90.6	-19.9	178.2	179.3	0	0	0	0	112.1
14	C	41.4	Very low	43.4	Very low	96 Å²	96	139.9 Å²	139.9	65%	0.649	75%	0.752	S	S	*	*	S	Bend	trans	-84	-16.2	177.4	-75.9	0	0	0	0	114.2
15	T	43.9	Very low	43.1	Very low	103 Å²	103	134.2 Å²	134.2	63%	0.632	74%	0.744	S	S	*	*	S	Bend	trans	-89.4	-10.1	178.9	41	0	0	0	0	114
16	L	43.3	Very low	42.9	Very low	145 Å²	145	135.7 Å²	135.7	76%	0.759	74%	0.739	S	S	*	*	S	Bend	trans	-98.4	-0.6	174.7	-74.9	166	0	0	0	114
17	L	43.3	Very low	43.5	Very low	136 Å²	136	134.8 Å²	134.8	71%	0.712	73%	0.727	S	S	*	*	S	Bend	trans	-93.2	2.8	174.2	-79.1	163.4	0	0	0	113.6
18	N	46.9	Very low	44.8	Very low	147 Å²	147	134 Å²	134	79%	0.786	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	20.4	-173.6	-121.9	7.5	0	0	0	115.2
19	T	45.3	Very low	46.9	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	31.5	170.4	59.3	0	0	0	0	113	Q21	T19-Q21 PolarHBondContact O-N 3.26Å
20	C	40.8	Very low	49.4	Very low	122 Å²	122	121.2 Å²	121.2	82%	0.824	66%	0.659	S	S	*	*			trans	-79.1	84.9	137.9	-98.4	0	0	0	0	105.6	A22	C20-A22 PolarHBondContact O-N 3.37Å
21	Q	40.1	Very low	52	Low	165 Å²	165	112.8 Å²	112.8	77%	0.771	62%	0.617	S	S	*	*			trans	-53.3	99.1	141.4	-102.9	173.5	-4.7	0	0	103.6	T19 H23	T19-Q21 PolarHBondContact O-N 3.26Å; Q21-H23 PolarHBondContact O-N 3.48Å
22	A	38.9	Very low	54.6	Low	83 Å²	83	108.4 Å²	108.4	69%	0.686	59%	0.587	S	S	*	*			trans	-52.2	96	148.8	0	0	0	0	0	103	C20 R24	C20-A22 PolarHBondContact O-N 3.37Å; A22-R24 PolarHBondContact O-N 3.09Å
23	H	35.7	Very low	57.2	Low	158 Å²	158	102.2 Å²	102.2	73%	0.731	55%	0.554	S	S	*	*			trans	-47.5	99.3	141.3	-93.8	57.4	0	0	0	102.1	Q21 V25	Q21-H23 PolarHBondContact O-N 3.48Å; H23-V25 PolarHBondContact O-N 3.48Å
24	R	39	Very low	59.8	Low	217 Å²	217	97.7 Å²	97.7	82%	0.819	53%	0.527	S	S	*	.			trans	-53.8	101.5	151.1	-75.4	-173.6	-175.2	177.7	0.8	101	A22 H26	A22-R24 PolarHBondContact O-N 3.09Å; R24-H26 PolarHBondContact O-N 2.79Å
25	V	38	Very low	62.5	Low	117 Å²	117	93.1 Å²	93.1	71%	0.709	50%	0.496	S	S	*	.			trans	-49.9	97.3	146.9	179.3	0	0	0	0	101	H23 D27	H23-V25 PolarHBondContact O-N 3.48Å; V25-D27 PolarHBondContact O-N 3.37Å
26	H	43	Very low	65.1	Low	134 Å²	134	88.2 Å²	88.2	62%	0.62	47%	0.466	S	S	*	.			trans	-56.3	104.2	161.2	-120.4	-75.8	0	0	0	100.5	R24 D28	R24-H26 PolarHBondContact O-N 2.79Å; H26-D28 PolarHBondContact O-N 3.34Å
27	D	55.1	Low	67.8	Low	100 Å²	100	81.3 Å²	81.3	54%	0.535	43%	0.43	S	S	.	.			trans	-44	121.4	178.6	-139.7	6.8	0	0	0	105	V25 K29	V25-D27 PolarHBondContact O-N 3.37Å; D27-K29 HydrophobicContact CB-CD 4.18Å; D27-K29 HydrophobicContact CB-CG 4.39Å; D27-K29 PolarHBondContact O-N 2.97Å; D27-K29 WeakPolarHBondContact OD2-CE 3.19Å; D27-K29 IonicContact OD2-NZ 2.94Å; D27-K29 PolarHBondContact OD2-NZ 3.03Å
28	D	75.4	Confident	70.3	Confident	155 Å²	155	74.9 Å²	74.9	83%	0.829	40%	0.396	S	S	*	.			trans	-61.9	21.3	-169.1	-98.5	-26.3	0	0	0	113.6	H26	H26-D28 PolarHBondContact O-N 3.34Å
29	K	92.9	Very high	72.7	Confident	35 Å²	35	68 Å²	68	15%	0.152	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69	121.6	-177	-75	173.3	177.4	162.2	0	110	D27 Q128 Y130 P282 N337 S414	D27-K29 HydrophobicContact CB-CD 4.18Å; D27-K29 HydrophobicContact CB-CG 4.39Å; D27-K29 PolarHBondContact O-N 2.97Å; D27-K29 WeakPolarHBondContact OD2-CE 3.19Å; D27-K29 IonicContact OD2-NZ 2.94Å; D27-K29 PolarHBondContact OD2-NZ 3.03Å; K29-Q128 PolarHBondContact NZ-O 3.26Å; K29-Y130 HydrophobicContact CB-CE2 4.27Å; K29-Y130 WeakPolarHBondContact CB-OH 3.26Å; K29-Y130 HydrophobicContact CD-CE2 3.96Å; K29-Y130 HydrophobicContact CG-CE2 4.26Å; K29-P282 HydrophobicContact CB-CB 4.03Å; K29-P282 HydrophobicContact CB-CG 4.38Å; K29-N337 PolarHBondContact O-ND2 3.14Å; K29-S414 WeakPolarHBondContact CE-O 3.18Å
30	P	96.9	Very high	75.3	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.006	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-75.3	156.3	174.1	32.3	-34.9	0	0	0	110.6	Y130 N337 I339 W387 V413	P30-Y130 WeakPolarHBondContact O-CE1 3.35Å; P30-Y130 PolarHBondContact O-OH 3.23Å; P30-N337 CarbonylContact C-O 3.54Å; P30-N337 WeakPolarHBondContact CA-O 3.4Å; P30-I339 HydrophobicContact CB-CD1 4.29Å; P30-I339 HydrophobicContact CB-CG1 4.14Å; P30-I339 HydrophobicContact CG-CD1 3.87Å; P30-I339 HydrophobicContact CG-CG1 4.28Å; P30-W387 HydrophobicContact CB-CH2 4.05Å; P30-W387 HydrophobicContact CB-CZ2 3.54Å; P30-W387 HydrophobicContact CG-CH2 3.76Å; P30-W387 HydrophobicContact CG-CZ2 3.8Å; P30-V413 WeakPolarHBondContact CD-O 3.26Å; P30-V413 HydrophobicContact CG-CB 4.22Å; P30-V413 HydrophobicContact CG-CG2 4.19Å
31	N	98.6	Very high	78	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.032	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.8	160.4	-54.8	-42.8	0	0	0	109.7	F283 N337 T338 I339	N31-F283 HydrophobicContact CB-CD1 4.06Å; N31-F283 HydrophobicContact CB-CD2 4.26Å; N31-F283 HydrophobicContact CB-CE1 3.63Å; N31-F283 HydrophobicContact CB-CE2 3.83Å; N31-F283 HydrophobicContact CB-CG 4.36Å; N31-F283 HydrophobicContact CB-CZ 3.49Å; N31-F283 VanDerWaalsContact CB-CZ 3.49Å; N31-F283 WeakPolarHBondContact ND2-CE1 3.42Å; N31-F283 WeakPolarHBondContact OD1-CD1 3.42Å; N31-F283 WeakPolarHBondContact OD1-CE1 3.3Å; N31-F283 PolarHBondContact OD1-N 3.35Å; N31-N337 PolarHBondContact N-O 2.92Å; N31-T338 HydrophobicContact CB-CG2 3.95Å; N31-T338 WeakPolarHBondContact CB-OG1 3.43Å; N31-T338 PolarHBondContact ND2-OG1 3Å; N31-T338 WeakPolarHBondContact O-CA 3.35Å; N31-I339 PolarHBondContact O-N 3.05Å
32	I	98.9	Very high	80.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.8	-177.4	-59.8	169.7	0	0	0	108.2	L34 L125 Y130 F283 L284 L285 V410 V413	I32-L34 HydrophobicContact CG2-CD1 4.49Å; I32-L34 HydrophobicContact CG2-CD2 3.69Å; I32-L34 HydrophobicContact CG2-CG 3.87Å; I32-L125 HydrophobicContact CD1-CD1 3.75Å; I32-L125 HydrophobicContact CD1-CD2 3.68Å; I32-L125 HydrophobicContact CD1-CG 4.4Å; I32-Y130 HydrophobicContact CD1-CE1 3.85Å; I32-Y130 HydrophobicContact CG1-CE1 4.15Å; I32-F283 PolarHBondContact N-O 3.34Å; I32-L284 HydrophobicContact CB-CD1 4.1Å; I32-L284 HydrophobicContact CG2-CD1 3.73Å; I32-L284 CarbonylContact O-C 3.46Å; I32-L284 VanDerWaalsContact O-CA 3.31Å; I32-L284 WeakPolarHBondContact O-CA 3.23Å; I32-L285 PolarHBondContact O-N 2.83Å; I32-V410 HydrophobicContact CD1-CB 4.01Å; I32-V410 HydrophobicContact CD1-CG1 4.13Å; I32-V410 HydrophobicContact CG2-CG1 3.99Å; I32-V413 HydrophobicContact CD1-CG2 4.23Å
33	V	98.9	Very high	83.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.3	174.7	179.4	0	0	0	0	107.9	I35 L275 F283 L285 I329 T338 I339 V340 Y341	V33-I35 HydrophobicContact CG1-CD1 3.8Å; V33-I35 HydrophobicContact CG1-CG1 3.8Å; V33-L275 HydrophobicContact CG2-CD2 4.45Å; V33-F283 HydrophobicContact CG2-CE2 3.77Å; V33-F283 HydrophobicContact CG2-CZ 4.44Å; V33-L285 CarbonylContact C-O 3.55Å; V33-L285 WeakPolarHBondContact CA-O 3.38Å; V33-L285 HydrophobicContact CG1-CD2 4.34Å; V33-L285 HydrophobicContact CG2-CB 4.33Å; V33-I329 HydrophobicContact CB-CD1 4.49Å; V33-I329 HydrophobicContact CG1-CD1 4.36Å; V33-I329 HydrophobicContact CG2-CD1 4Å; V33-T338 HydrophobicContact CB-CG2 4.28Å; V33-T338 HydrophobicContact CG2-CG2 3.59Å; V33-I339 PolarHBondContact N-O 2.99Å; V33-V340 HydrophobicContact CB-CG2 4.27Å; V33-V340 WeakPolarHBondContact O-CA 3.39Å; V33-Y341 PolarHBondContact O-N 3.27Å
34	L	98.9	Very high	86.5	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.1	176.7	-54	-178.5	0	0	0	108.3	I32 F85 F121 L284 L285 F286 F287 Y341 I406	I32-L34 HydrophobicContact CG2-CD1 4.49Å; I32-L34 HydrophobicContact CG2-CD2 3.69Å; I32-L34 HydrophobicContact CG2-CG 3.87Å; L34-F85 HydrophobicContact CB-CZ 4.22Å; L34-F85 HydrophobicContact CD1-CE1 4.22Å; L34-F85 HydrophobicContact CD1-CZ 4.02Å; L34-F121 HydrophobicContact CD1-CD1 4.49Å; L34-F121 HydrophobicContact CD1-CD2 4.04Å; L34-F121 HydrophobicContact CD1-CE1 4.05Å; L34-F121 HydrophobicContact CD1-CE2 3.61Å; L34-F121 HydrophobicContact CD1-CG 4.5Å; L34-F121 HydrophobicContact CD1-CZ 3.62Å; L34-L284 HydrophobicContact CD1-CD1 3.89Å; L34-L284 HydrophobicContact CG-CD1 4.04Å; L34-L285 PolarHBondContact N-O 2.8Å; L34-F286 HydrophobicContact CB-CD2 3.96Å; L34-F286 CarbonylContact O-C 3.59Å; L34-F286 WeakPolarHBondContact O-CA 3.45Å; L34-F287 PolarHBondContact O-N 2.65Å; L34-Y341 HydrophobicContact CD2-CD1 4.1Å; L34-Y341 HydrophobicContact CD2-CG 4.32Å; L34-I406 HydrophobicContact CD1-CG2 3.82Å; L34-I406 HydrophobicContact CD2-CG2 3.96Å
35	I	98.9	Very high	89.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.1	-176.6	-56.9	-174.4	0	0	0	108.4	V33 F287 F289 M322 I325 V340 Y341 F342 T343	V33-I35 HydrophobicContact CG1-CD1 3.8Å; V33-I35 HydrophobicContact CG1-CG1 3.8Å; I35-F287 VanDerWaalsContact CA-O 3.31Å; I35-F287 WeakPolarHBondContact CA-O 3.47Å; I35-F287 HydrophobicContact CG1-CB 4.27Å; I35-F289 HydrophobicContact CG2-CD2 4.01Å; I35-F289 HydrophobicContact CG2-CE2 3.52Å; I35-M322 HydrophobicContact CD1-CE 3.6Å; I35-M322 HydrophobicContact CD1-SD 3.38Å; I35-M322 WeakPolarHBondContact CD1-SD 3.29Å; I35-M322 HydrophobicContact CG2-SD 4Å; I35-I325 HydrophobicContact CD1-CG2 4.45Å; I35-V340 HydrophobicContact CD1-CG1 4.23Å; I35-Y341 WeakPolarHBondContact CA-O 3.33Å; I35-Y341 WeakPolarHBondContact CB-O 3.41Å; I35-Y341 PolarHBondContact N-O 3.47Å; I35-F342 HydrophobicContact CB-CD2 4.33Å; I35-F342 HydrophobicContact CG2-CD2 3.88Å; I35-F342 HydrophobicContact CG2-CE2 4.44Å; I35-F342 CarbonylContact O-C 3.55Å; I35-F342 WeakPolarHBondContact O-CA 3.09Å; I35-T343 PolarHBondContact O-N 3.07Å
36	M	98.9	Very high	92.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.3	-179.5	179.6	174.7	-79.8	0	0	109.9	R82 F85 F286 F287 S288 F289 T343 D345	M36-R82 HydrophobicContact SD-CG 3.83Å; M36-F85 HydrophobicContact CE-CB 3.87Å; M36-F85 HydrophobicContact CE-CD1 3.49Å; M36-F85 VanDerWaalsContact CE-CD1 3.49Å; M36-F85 HydrophobicContact CE-CD2 3.6Å; M36-F85 HydrophobicContact CE-CE1 3.85Å; M36-F85 HydrophobicContact CE-CE2 3.9Å; M36-F85 HydrophobicContact CE-CG 3.37Å; M36-F85 HydrophobicContact CE-CZ 4.04Å; M36-F286 HydrophobicContact CB-CE2 3.7Å; M36-F286 HydrophobicContact CB-CZ 4.23Å; M36-F286 HydrophobicContact SD-CE2 4.43Å; M36-F286 HydrophobicContact SD-CZ 4.06Å; M36-F287 PolarHBondContact N-O 2.71Å; M36-S288 CarbonylContact O-C 3.49Å; M36-S288 WeakPolarHBondContact O-CA 3.45Å; M36-F289 PolarHBondContact O-N 3.41Å; M36-T343 CarbonylContact C-O 3.53Å; M36-T343 WeakPolarHBondContact CA-O 3.22Å; M36-T343 HydrophobicContact CB-CG2 4.25Å; M36-T343 HydrophobicContact CE-CG2 3.96Å; M36-T343 HydrophobicContact CG-CG2 4.25Å; M36-D345 HydrophobicContact CE-CB 4.39Å; M36-D345 HydrophobicContact CG-CB 4.04Å; M36-D345 HydrophobicContact SD-CB 3.67Å
37	V	98.6	Very high	94.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	151.5	172.9	-166.5	0	0	0	0	109.5	L40 F289 H291 V292 M318 F342 T343 S344 D345	V37-L40 HydrophobicContact CB-CB 3.9Å; V37-L40 HydrophobicContact CB-CD2 4.08Å; V37-L40 HydrophobicContact CG1-CB 3.61Å; V37-L40 HydrophobicContact CG1-CD2 4.12Å; V37-L40 HydrophobicContact CG1-CG 4.37Å; V37-L40 HydrophobicContact CG2-CD2 4.09Å; V37-F289 HydrophobicContact CG2-CD2 4.05Å; V37-H291 WeakPolarHBondContact CG1-O 3.19Å; V37-V292 HydrophobicContact CG1-CG2 4.34Å; V37-M318 HydrophobicContact CB-SD 4.19Å; V37-M318 HydrophobicContact CG1-CG 4.39Å; V37-M318 HydrophobicContact CG1-SD 3.5Å; V37-M318 VanDerWaalsContact CG1-SD 3.5Å; V37-M318 HydrophobicContact CG2-SD 3.5Å; V37-M318 VanDerWaalsContact CG2-SD 3.5Å; V37-F342 HydrophobicContact CG2-CD2 4.42Å; V37-F342 HydrophobicContact CG2-CE2 3.44Å; V37-F342 VanDerWaalsContact CG2-CE2 3.44Å; V37-F342 HydrophobicContact CG2-CZ 3.61Å; V37-T343 PolarHBondContact N-O 3.1Å; V37-S344 WeakPolarHBondContact O-CA 3.38Å; V37-S344 PolarHBondContact O-OG 3.47Å; V37-D345 PolarHBondContact O-N 3.28Å
38	D	97.5	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-97.9	125.2	179	-151.8	26.3	0	0	0	109.5	L40 R82 K137 H291 V292 H293 D345	D38-L40 PolarHBondContact O-N 2.78Å; D38-L40 VanDerWaalsContact O-N 3.13Å; D38-R82 IonicContact OD1-CZ 3.75Å; D38-R82 IonicContact OD1-NE 2.72Å; D38-R82 IonicContact OD1-NH2 2.63Å; D38-R82 PolarHBondContact OD1-NH2 3.31Å; D38-K137 IonicContact OD1-NZ 3.51Å; D38-K137 PolarHBondContact OD1-NZ 2.73Å; D38-K137 WeakPolarHBondContact OD2-CD 3.47Å; D38-K137 WeakPolarHBondContact OD2-CE 3.23Å; D38-K137 IonicContact OD2-NZ 3.89Å; D38-K137 PolarHBondContact OD2-NZ 2.76Å; D38-H291 WeakPolarHBondContact CB-O 3.4Å; D38-H291 PolarHBondContact N-O 3.5Å; D38-V292 CarbonylContact O-C 3.49Å; D38-V292 WeakPolarHBondContact O-CG2 3.44Å; D38-V292 PolarHBondContact O-N 2.92Å; D38-H293 HydrophobicContact CB-CB 3.92Å; D38-H293 WeakPolarHBondContact OD2-CB 3.21Å; D38-H293 IonicContact OD2-CD2 3.46Å; D38-H293 PolarHBondContact OD2-CD2 3.45Å; D38-H293 IonicContact OD2-CG 2.62Å; D38-D345 VanDerWaalsContact OD1-OD2 3.04Å
39	D	97.4	Very high	97.9	Very high	3 Å²	3	10 Å²	10	2%	0.016	7%	0.071	C	C	.	.	S	Bend	trans	60.6	17	176.6	-69.2	20.1	0	0	0	116.5	G41 H293 D345 H346 G348 K370	D39-G41 PolarHBondContact O-N 3.12Å; D39-H293 VanDerWaalsContact CG-CD2 3.47Å; D39-H293 IonicContact OD1-CD2 2.77Å; D39-H293 PolarHBondContact OD1-CD2 3.43Å; D39-H293 VanDerWaalsContact OD1-CD2 3.29Å; D39-H293 IonicContact OD2-CD2 2.78Å; D39-H293 PolarHBondContact OD2-CD2 2.87Å; D39-H293 IonicContact OD2-CG 3.95Å; D39-H293 IonicContact OD2-NE2 3.48Å; D39-D345 PolarHBondContact N-OD1 3.39Å; D39-H346 IonicContact OD1-CE1 2.68Å; D39-H346 PolarHBondContact OD1-CE1 2.96Å; D39-H346 IonicContact OD1-ND1 2.73Å; D39-H346 IonicContact OD1-NE2 2.59Å; D39-H346 PolarHBondContact OD1-NE2 3.37Å; D39-G348 WeakPolarHBondContact O-CA 3.37Å; D39-K370 IonicContact OD1-NZ 2.95Å; D39-K370 PolarHBondContact OD1-NZ 3.02Å; D39-K370 WeakPolarHBondContact OD2-CD 3.05Å; D39-K370 IonicContact OD2-NZ 3.07Å; D39-K370 PolarHBondContact OD2-NZ 3.32Å
40	L	98.5	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	7%	0.066	C	C	.	.			trans	-75.8	119.4	177.4	-177.4	72.2	0	0	0	110.5	V37 D38 D44 L45 V292 V315 F342 S344 P382	V37-L40 HydrophobicContact CB-CB 3.9Å; V37-L40 HydrophobicContact CB-CD2 4.08Å; V37-L40 HydrophobicContact CG1-CB 3.61Å; V37-L40 HydrophobicContact CG1-CD2 4.12Å; V37-L40 HydrophobicContact CG1-CG 4.37Å; V37-L40 HydrophobicContact CG2-CD2 4.09Å; D38-L40 PolarHBondContact O-N 2.78Å; D38-L40 VanDerWaalsContact O-N 3.13Å; L40-D44 HydrophobicContact CD1-CB 3.63Å; L40-D44 HydrophobicContact CG-CB 4.48Å; L40-L45 HydrophobicContact CD2-CD1 4.16Å; L40-L45 HydrophobicContact CD2-CD2 3.97Å; L40-L45 HydrophobicContact CD2-CG 4.17Å; L40-V292 HydrophobicContact CB-CG2 4.1Å; L40-V292 HydrophobicContact CD1-CG2 4.11Å; L40-V315 HydrophobicContact CD1-CG1 4.33Å; L40-V315 HydrophobicContact CD1-CG2 4.23Å; L40-F342 HydrophobicContact CD2-CE1 4.26Å; L40-F342 HydrophobicContact CD2-CZ 3.79Å; L40-S344 PolarHBondContact N-OG 2.96Å; L40-S344 WeakPolarHBondContact O-CB 3.46Å; L40-S344 PolarHBondContact O-OG 2.04Å; L40-P382 HydrophobicContact CD2-CG 4.31Å
41	G	97.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.104	C	C	.	.			trans	-74.4	150.8	174.9	0	0	0	0	0	111.6	D39 G43 D44 W362 N363	D39-G41 PolarHBondContact O-N 3.12Å; G41-G43 PolarHBondContact O-N 3.48Å; G41-D44 WeakPolarHBondContact CA-OD2 3.47Å; G41-D44 PolarHBondContact N-OD2 3.18Å; G41-D44 WeakPolarHBondContact O-CB 3.25Å; G41-D44 PolarHBondContact O-N 3.36Å; G41-W362 CarbonylContact C-O 3.44Å; G41-W362 WeakPolarHBondContact CA-O 3.5Å; G41-N363 VanDerWaalsContact CA-OD1 3.25Å; G41-N363 WeakPolarHBondContact CA-OD1 3.42Å
42	I	97.9	Very high	98	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.4	179.5	-171.9	165.6	0	0	0	113.1	D44 Y48 Y366 R380 P382	I42-D44 VanDerWaalsContact C-N 3.32Å; I42-Y48 HydrophobicContact CD1-CD1 3.8Å; I42-Y48 HydrophobicContact CD1-CE1 3.76Å; I42-Y48 HydrophobicContact CG1-CD1 3.5Å; I42-Y48 HydrophobicContact CG1-CE1 3.88Å; I42-Y48 HydrophobicContact CG1-CG 4.03Å; I42-Y48 WeakPolarHBondContact O-CB 3.49Å; I42-Y366 HydrophobicContact CD1-CE2 4.14Å; I42-Y366 HydrophobicContact CG1-CE2 4.46Å; I42-Y366 HydrophobicContact CG2-CD2 3.33Å; I42-Y366 HydrophobicContact CG2-CE2 3.55Å; I42-R380 HydrophobicContact CD1-CG 3.69Å; I42-P382 HydrophobicContact CB-CG 4.41Å; I42-P382 HydrophobicContact CG1-CG 4.44Å
43	G	97.6	Very high	97.9	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.1	177.6	0	0	0	0	0	114.2	G41 N50 W362	G41-G43 PolarHBondContact O-N 3.48Å; G43-N50 WeakPolarHBondContact O-CB 3.26Å; G43-N50 PolarHBondContact O-ND2 3.07Å; G43-W362 CarbonylContact C-O 3.54Å; G43-W362 VanDerWaalsContact CA-O 3.27Å; G43-W362 WeakPolarHBondContact CA-O 3.42Å; G43-W362 PolarHBondContact N-O 3.08Å; G43-W362 WeakPolarHBondContact O-CZ3 3.36Å
44	D	98.3	Very high	97.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.011	14%	0.142	C	C	.	.	S	Bend	trans	-81.4	-19.6	-173.5	-65.9	-47.6	0	0	0	113.3	L40 G41 I42 N50 I53 Y311 G361 W362	L40-D44 HydrophobicContact CD1-CB 3.63Å; L40-D44 HydrophobicContact CG-CB 4.48Å; G41-D44 WeakPolarHBondContact CA-OD2 3.47Å; G41-D44 PolarHBondContact N-OD2 3.18Å; G41-D44 WeakPolarHBondContact O-CB 3.25Å; G41-D44 PolarHBondContact O-N 3.36Å; I42-D44 VanDerWaalsContact C-N 3.32Å; D44-N50 PolarHBondContact O-ND2 3.06Å; D44-I53 HydrophobicContact CB-CD1 4.5Å; D44-Y311 PolarHBondContact OD2-OH 2.67Å; D44-G361 WeakPolarHBondContact OD2-CA 3.45Å; D44-W362 WeakPolarHBondContact OD1-CB 3.47Å; D44-W362 PolarHBondContact OD1-N 3.49Å; D44-W362 PolarHBondContact OD2-N 3.21Å; D44-W362 VanDerWaalsContact OD2-N 3.09Å
45	L	98.5	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-96.5	146.1	-172.3	-60.7	176.2	0	0	0	113.6	L40 C47 Y48 G49 N50 T55 I58 F342 P382	L40-L45 HydrophobicContact CD2-CD1 4.16Å; L40-L45 HydrophobicContact CD2-CD2 3.97Å; L40-L45 HydrophobicContact CD2-CG 4.17Å; L45-C47 PolarHBondContact O-N 2.89Å; L45-Y48 HydrophobicContact CB-CD2 4.05Å; L45-Y48 HydrophobicContact CD1-CD2 3.93Å; L45-Y48 HydrophobicContact CD1-CE2 4.25Å; L45-Y48 CarbonylContact O-C 3.5Å; L45-Y48 PolarHBondContact O-N 3.17Å; L45-G49 PolarHBondContact O-N 2.9Å; L45-N50 WeakPolarHBondContact O-CB 3.21Å; L45-N50 PolarHBondContact O-N 3.34Å; L45-N50 VanDerWaalsContact O-N 3.07Å; L45-T55 HydrophobicContact CD2-CG2 3.77Å; L45-I58 HydrophobicContact CD1-CG2 3.99Å; L45-I58 HydrophobicContact CD2-CD1 3.93Å; L45-I58 HydrophobicContact CD2-CG2 4.23Å; L45-F342 HydrophobicContact CD1-CE1 3.76Å; L45-F342 HydrophobicContact CD1-CZ 4.31Å; L45-P382 HydrophobicContact CD1-CB 3.62Å; L45-P382 HydrophobicContact CD1-CG 3.59Å; L45-P382 HydrophobicContact CG-CG 4.43Å
46	G	98.3	Very high	97.8	Very high	21 Å²	21	28.2 Å²	28.2	22%	0.216	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.8	-52	175.5	0	0	0	0	0	113.4	Y48 G49 N50 T55 D59	G46-Y48 PolarHBondContact O-N 2.83Å; G46-G49 PolarHBondContact O-N 2.99Å; G46-N50 VanDerWaalsContact CA-O 3.3Å; G46-N50 WeakPolarHBondContact CA-O 3.28Å; G46-T55 PolarHBondContact N-OG1 3.12Å; G46-D59 WeakPolarHBondContact CA-OD1 3.34Å
47	C	98.1	Very high	97.8	Very high	29 Å²	29	30.9 Å²	30.9	20%	0.196	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64.3	-11.9	177.8	55.9	0	0	0	0	114.3	L45 D59 A62 Q67	L45-C47 PolarHBondContact O-N 2.89Å; C47-D59 WeakPolarHBondContact CB-OD1 3.46Å; C47-D59 PolarHBondContact N-OD1 3.07Å; C47-D59 PolarHBondContact SG-OD1 2.98Å; C47-D59 VanDerWaalsContact SG-OD1 3.41Å; C47-A62 HydrophobicContact CB-CB 3.74Å; C47-Q67 PolarHBondContact O-NE2 2.85Å
48	Y	98.2	Very high	97.8	Very high	42 Å²	42	30.9 Å²	30.9	17%	0.165	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-105.9	6.6	173.1	-75.6	-90.6	0	0	0	113.9	I42 L45 G46 Q67 L68 P382 G383 I384	I42-Y48 HydrophobicContact CD1-CD1 3.8Å; I42-Y48 HydrophobicContact CD1-CE1 3.76Å; I42-Y48 HydrophobicContact CG1-CD1 3.5Å; I42-Y48 HydrophobicContact CG1-CE1 3.88Å; I42-Y48 HydrophobicContact CG1-CG 4.03Å; I42-Y48 WeakPolarHBondContact O-CB 3.49Å; L45-Y48 HydrophobicContact CB-CD2 4.05Å; L45-Y48 HydrophobicContact CD1-CD2 3.93Å; L45-Y48 HydrophobicContact CD1-CE2 4.25Å; L45-Y48 CarbonylContact O-C 3.5Å; L45-Y48 PolarHBondContact O-N 3.17Å; G46-Y48 PolarHBondContact O-N 2.83Å; Y48-Q67 HydrophobicContact CE1-CG 4.2Å; Y48-Q67 HydrophobicContact CE2-CG 4.12Å; Y48-L68 WeakPolarHBondContact CE1-O 3.41Å; Y48-L68 PolarHBondContact OH-O 2.82Å; Y48-P382 HydrophobicContact CD2-CB 4.37Å; Y48-P382 HydrophobicContact CE2-CB 3.82Å; Y48-G383 PolarHBondContact OH-N 2.85Å; Y48-G383 PolarHBondContact OH-O 3.04Å; Y48-G383 VanDerWaalsContact OH-O 3.07Å; Y48-I384 HydrophobicContact CE2-CD1 4.33Å; Y48-I384 HydrophobicContact CE2-CG1 4.31Å
49	G	96.6	Very high	97.9	Very high	61 Å²	61	32.7 Å²	32.7	63%	0.629	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	112.6	1.7	169.6	0	0	0	0	0	115.5	L45 G46	L45-G49 PolarHBondContact O-N 2.9Å; G46-G49 PolarHBondContact O-N 2.99Å
50	N	97.1	Very high	97.9	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.059	20%	0.197	C	C	.	.			trans	-72	131.4	171.6	-157.1	-57.9	0	0	0	110.4	G43 D44 L45 G46 T52 I53	G43-N50 WeakPolarHBondContact O-CB 3.26Å; G43-N50 PolarHBondContact O-ND2 3.07Å; D44-N50 PolarHBondContact O-ND2 3.06Å; L45-N50 WeakPolarHBondContact O-CB 3.21Å; L45-N50 PolarHBondContact O-N 3.34Å; L45-N50 VanDerWaalsContact O-N 3.07Å; G46-N50 VanDerWaalsContact CA-O 3.3Å; G46-N50 WeakPolarHBondContact CA-O 3.28Å; N50-T52 PolarHBondContact OD1-N 3.08Å; N50-T52 PolarHBondContact OD1-OG1 3.3Å; N50-I53 PolarHBondContact OD1-N 2.76Å
51	D	95.9	Very high	97.9	Very high	149 Å²	149	35.5 Å²	35.5	80%	0.797	20%	0.197	S	C	*	.	S	Bend	trans	-114.7	8.9	178.6	64.7	-14.3	0	0	0	112.9
52	T	96.3	Very high	98	Very high	43 Å²	43	35.8 Å²	35.8	26%	0.264	20%	0.2	S	C	.	.	S	Bend	trans	-123.9	-32.4	-173.3	49.2	0	0	0	0	114.5	N50 K307 H308	N50-T52 PolarHBondContact OD1-N 3.08Å; N50-T52 PolarHBondContact OD1-OG1 3.3Å; T52-K307 HydrophobicContact CG2-CD 4.22Å; T52-H308 PolarHBondContact OG1-NE2 2.65Å
53	I	97.2	Very high	98	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	-87.7	133	170.2	-58.7	-179.9	0	0	0	108.6	D44 N50 T55 H308 Y311 V315 E316	D44-I53 HydrophobicContact CB-CD1 4.5Å; N50-I53 PolarHBondContact OD1-N 2.76Å; I53-T55 HydrophobicContact CG2-CG2 4.14Å; I53-H308 HydrophobicContact CD1-CB 4.27Å; I53-H308 HydrophobicContact CG1-CB 4.32Å; I53-H308 VanDerWaalsContact CG1-CD2 3.42Å; I53-H308 WeakPolarHBondContact CG1-CD2 3.47Å; I53-Y311 HydrophobicContact CD1-CE1 4.46Å; I53-V315 HydrophobicContact CG2-CB 3.91Å; I53-V315 HydrophobicContact CG2-CG1 3.57Å; I53-E316 HydrophobicContact CG2-CG 4.11Å
54	R	97.9	Very high	98	Very high	144 Å²	144	45.9 Å²	45.9	54%	0.543	24%	0.239	S	C	.	.			trans	-90.5	107.2	-175.8	-62.2	-178.9	-67.2	-174.2	0.9	111.6	P56 E316	R54-P56 WeakPolarHBondContact O-CD 3.44Å; R54-E316 HydrophobicContact CB-CG 4.1Å; R54-E316 IonicContact CZ-OE2 2.85Å; R54-E316 PolarHBondContact N-OE1 3.24Å; R54-E316 IonicContact NE-OE1 3.21Å; R54-E316 IonicContact NE-OE2 3.3Å; R54-E316 PolarHBondContact NE-OE2 3.12Å; R54-E316 IonicContact NH2-OE2 3.9Å; R54-E316 PolarHBondContact NH2-OE2 3.46Å
55	T	98.6	Very high	98	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	24%	0.238	C	C	.	.			trans	-123.3	51.3	176.2	61.9	0	0	0	0	114.3	L45 G46 I53 H57 I58 D59 V315 D319	L45-T55 HydrophobicContact CD2-CG2 3.77Å; G46-T55 PolarHBondContact N-OG1 3.12Å; I53-T55 HydrophobicContact CG2-CG2 4.14Å; T55-H57 VanDerWaalsContact C-N 3.28Å; T55-H57 PolarHBondContact O-N 2.91Å; T55-I58 PolarHBondContact O-N 3.38Å; T55-D59 WeakPolarHBondContact O-CB 3.35Å; T55-D59 PolarHBondContact O-N 3.22Å; T55-D59 PolarHBondContact OG1-OD1 3.39Å; T55-V315 HydrophobicContact CG2-CG1 3.87Å; T55-D319 VanDerWaalsContact C-CG 3.43Å; T55-D319 VanDerWaalsContact C-OD1 3.26Å; T55-D319 VanDerWaalsContact C-OD2 3.26Å; T55-D319 WeakPolarHBondContact CA-OD1 3.35Å; T55-D319 WeakPolarHBondContact CA-OD2 3.45Å; T55-D319 HydrophobicContact CG2-CB 4.27Å
56	P	98.6	Very high	98	Very high	74 Å²	74	45.8 Å²	45.8	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-30.5	-172.5	26.4	-37.5	0	0	0	114.7	R54 R60 D319	R54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-R60 WeakPolarHBondContact O-CB 3.32Å; P56-R60 PolarHBondContact O-N 3.12Å; P56-D319 WeakPolarHBondContact CD-OD2 3.27Å; P56-D319 WeakPolarHBondContact CG-OD2 3.02Å; P56-D319 VanDerWaalsContact N-OD2 3.14Å
57	H	98.8	Very high	98	Very high	56 Å²	56	46.3 Å²	46.3	26%	0.259	24%	0.235	S	C	.	.	H	α-helix	trans	-76.3	-41.2	-178.1	-64.9	-76.2	0	0	0	111.7	T55 D59 R60 L61 D319 G323	T55-H57 VanDerWaalsContact C-N 3.28Å; T55-H57 PolarHBondContact O-N 2.91Å; H57-D59 VanDerWaalsContact C-N 3.35Å; H57-R60 WeakPolarHBondContact O-CB 3.39Å; H57-R60 PolarHBondContact O-N 3.42Å; H57-L61 PolarHBondContact O-N 2.91Å; H57-D319 WeakPolarHBondContact CB-OD2 3.48Å; H57-D319 PolarHBondContact CD2-O 2.86Å; H57-D319 IonicContact CD2-OD2 2.89Å; H57-D319 PolarHBondContact CD2-OD2 3.21Å; H57-D319 IonicContact CG-OD2 3.17Å; H57-D319 PolarHBondContact N-OD1 3.43Å; H57-D319 PolarHBondContact N-OD2 2.96Å; H57-G323 VanDerWaalsContact CG-CA 3.41Å; H57-G323 WeakPolarHBondContact ND1-CA 3.3Å
58	I	98.8	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-37.7	172.3	-68	163.5	0	0	0	110.7	L45 T55 R60 L61 A62 M318 D319 M322 F342 I384	L45-I58 HydrophobicContact CD1-CG2 3.99Å; L45-I58 HydrophobicContact CD2-CD1 3.93Å; L45-I58 HydrophobicContact CD2-CG2 4.23Å; T55-I58 PolarHBondContact O-N 3.38Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.36Å; I58-L61 WeakPolarHBondContact O-CA 3.26Å; I58-L61 WeakPolarHBondContact O-CB 3.45Å; I58-L61 PolarHBondContact O-N 2.84Å; I58-L61 VanDerWaalsContact O-N 3.07Å; I58-A62 PolarHBondContact O-N 3.31Å; I58-M318 HydrophobicContact CD1-CE 3.25Å; I58-M318 HydrophobicContact CD1-SD 4.48Å; I58-D319 WeakPolarHBondContact CB-OD1 3.45Å; I58-D319 HydrophobicContact CD1-CB 4.43Å; I58-D319 WeakPolarHBondContact CD1-OD1 3.29Å; I58-D319 VanDerWaalsContact CG1-OD1 3.23Å; I58-D319 WeakPolarHBondContact CG1-OD1 3.35Å; I58-D319 PolarHBondContact N-OD1 2.96Å; I58-M322 HydrophobicContact CG1-CB 4.45Å; I58-M322 HydrophobicContact CG1-CG 3.92Å; I58-F342 HydrophobicContact CD1-CE1 4.36Å; I58-F342 HydrophobicContact CD1-CE2 3.61Å; I58-F342 HydrophobicContact CD1-CZ 3.52Å; I58-F342 HydrophobicContact CG1-CD2 4.47Å; I58-F342 HydrophobicContact CG1-CE2 4.01Å; I58-F342 HydrophobicContact CG1-CZ 4.14Å; I58-F342 HydrophobicContact CG2-CD1 4.35Å; I58-F342 HydrophobicContact CG2-CE1 4.08Å; I58-F342 HydrophobicContact CG2-CZ 4.3Å; I58-I384 HydrophobicContact CG2-CD1 3.59Å
59	D	98.8	Very high	98	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-36.1	175.6	-64.5	-10.9	0	0	0	111.7	G46 C47 T55 H57 A62 R63	G46-D59 WeakPolarHBondContact CA-OD1 3.34Å; C47-D59 WeakPolarHBondContact CB-OD1 3.46Å; C47-D59 PolarHBondContact N-OD1 3.07Å; C47-D59 PolarHBondContact SG-OD1 2.98Å; C47-D59 VanDerWaalsContact SG-OD1 3.41Å; T55-D59 WeakPolarHBondContact O-CB 3.35Å; T55-D59 PolarHBondContact O-N 3.22Å; T55-D59 PolarHBondContact OG1-OD1 3.39Å; H57-D59 VanDerWaalsContact C-N 3.35Å; D59-A62 PolarHBondContact O-N 2.94Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.37Å
60	R	98.6	Very high	98	Very high	62 Å²	62	42.2 Å²	42.2	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-45.8	168.9	176.4	-177.7	169.8	-152.3	-9.8	110.7	P56 H57 I58 A62 R63 E64 D327 D330	P56-R60 WeakPolarHBondContact O-CB 3.32Å; P56-R60 PolarHBondContact O-N 3.12Å; H57-R60 WeakPolarHBondContact O-CB 3.39Å; H57-R60 PolarHBondContact O-N 3.42Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.36Å; R60-A62 VanDerWaalsContact C-N 3.31Å; R60-A62 PolarHBondContact O-N 3.49Å; R60-R63 PolarHBondContact O-N 3.2Å; R60-E64 HydrophobicContact CG-CG 4.3Å; R60-E64 VanDerWaalsContact CG-OE1 3.26Å; R60-E64 WeakPolarHBondContact CG-OE1 3.29Å; R60-E64 IonicContact CZ-OE1 3.79Å; R60-E64 IonicContact NE-OE1 3.17Å; R60-E64 PolarHBondContact NE-OE1 3.27Å; R60-E64 IonicContact NH2-OE1 3.83Å; R60-E64 PolarHBondContact NH2-OE1 2.7Å; R60-E64 WeakPolarHBondContact O-CB 3.49Å; R60-E64 VanDerWaalsContact O-CG 3.26Å; R60-E64 WeakPolarHBondContact O-CG 3.3Å; R60-E64 PolarHBondContact O-N 2.85Å; R60-D327 IonicContact NH1-OD1 3.09Å; R60-D327 PolarHBondContact NH1-OD1 2.94Å; R60-D327 VanDerWaalsContact NH1-OD1 3.09Å; R60-D330 IonicContact CZ-OD2 3.9Å; R60-D330 IonicContact NH2-OD2 3.88Å; R60-D330 PolarHBondContact NH2-OD2 3.24Å
61	L	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-44.2	176.9	-175.4	72.2	0	0	0	111.8	H57 I58 E64 G65 M322 L326 V340 F342 I384 R386	H57-L61 PolarHBondContact O-N 2.91Å; I58-L61 WeakPolarHBondContact O-CA 3.26Å; I58-L61 WeakPolarHBondContact O-CB 3.45Å; I58-L61 PolarHBondContact O-N 2.84Å; I58-L61 VanDerWaalsContact O-N 3.07Å; L61-E64 PolarHBondContact O-N 2.9Å; L61-G65 PolarHBondContact O-N 3.2Å; L61-G65 VanDerWaalsContact O-N 3.11Å; L61-M322 HydrophobicContact CD2-CE 3.6Å; L61-L326 HydrophobicContact CB-CD1 4.3Å; L61-L326 HydrophobicContact CD1-CD1 4.42Å; L61-L326 HydrophobicContact CD1-CD2 4.06Å; L61-V340 HydrophobicContact CD1-CB 4.22Å; L61-V340 HydrophobicContact CD1-CG1 4Å; L61-V340 HydrophobicContact CD2-CG1 4.31Å; L61-F342 HydrophobicContact CD2-CB 3.65Å; L61-F342 HydrophobicContact CD2-CG 4.38Å; L61-I384 HydrophobicContact CB-CG2 4.41Å; L61-I384 HydrophobicContact CD2-CB 4.22Å; L61-I384 HydrophobicContact CD2-CG2 3.85Å; L61-I384 HydrophobicContact CG-CG2 3.72Å; L61-R386 HydrophobicContact CD1-CB 3.57Å; L61-R386 HydrophobicContact CD1-CG 4.27Å; L61-R386 HydrophobicContact CG-CB 4.45Å
62	A	98.6	Very high	98.2	Very high	6 Å²	6	34.7 Å²	34.7	5%	0.05	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-46	177.2	0	0	0	0	0	112.2	C47 I58 D59 R60 E64 G65 I384	C47-A62 HydrophobicContact CB-CB 3.74Å; I58-A62 PolarHBondContact O-N 3.31Å; D59-A62 PolarHBondContact O-N 2.94Å; R60-A62 VanDerWaalsContact C-N 3.31Å; R60-A62 PolarHBondContact O-N 3.49Å; A62-E64 VanDerWaalsContact C-N 3.27Å; A62-E64 PolarHBondContact O-N 3.43Å; A62-G65 CarbonylContact O-C 3.55Å; A62-G65 PolarHBondContact O-N 2.75Å; A62-I384 HydrophobicContact CB-CD1 4.02Å; A62-I384 HydrophobicContact CB-CG1 4.39Å; A62-I384 HydrophobicContact CB-CG2 4.32Å
63	R	98.4	Very high	98.3	Very high	173 Å²	173	32.7 Å²	32.7	65%	0.653	15%	0.147	S	C	*	.	H	α-helix	trans	-62.8	-33.9	176.8	-74	-175.1	-63.5	143.5	-1.6	113	D59 R60 G65 G394	D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.37Å; R60-R63 PolarHBondContact O-N 3.2Å; R63-G65 VanDerWaalsContact C-N 3.33Å; R63-G394 PolarHBondContact O-N 3.11Å
64	E	98.2	Very high	98.3	Very high	44 Å²	44	32.6 Å²	32.6	21%	0.206	15%	0.148	C	C	.	.	H	α-helix	trans	-83.6	-7.5	179.9	-68	175.9	175.4	0	0	113.5	R60 L61 A62 R335 R386 A393	R60-E64 HydrophobicContact CG-CG 4.3Å; R60-E64 VanDerWaalsContact CG-OE1 3.26Å; R60-E64 WeakPolarHBondContact CG-OE1 3.29Å; R60-E64 IonicContact CZ-OE1 3.79Å; R60-E64 IonicContact NE-OE1 3.17Å; R60-E64 PolarHBondContact NE-OE1 3.27Å; R60-E64 IonicContact NH2-OE1 3.83Å; R60-E64 PolarHBondContact NH2-OE1 2.7Å; R60-E64 WeakPolarHBondContact O-CB 3.49Å; R60-E64 VanDerWaalsContact O-CG 3.26Å; R60-E64 WeakPolarHBondContact O-CG 3.3Å; R60-E64 PolarHBondContact O-N 2.85Å; L61-E64 PolarHBondContact O-N 2.9Å; A62-E64 VanDerWaalsContact C-N 3.27Å; A62-E64 PolarHBondContact O-N 3.43Å; E64-R335 IonicContact OE1-NH2 3.43Å; E64-R335 PolarHBondContact OE1-NH2 3.1Å; E64-R335 IonicContact OE2-CZ 3.4Å; E64-R335 IonicContact OE2-NH1 2.79Å; E64-R335 PolarHBondContact OE2-NH1 3.29Å; E64-R335 VanDerWaalsContact OE2-NH1 3.17Å; E64-R335 IonicContact OE2-NH2 2.7Å; E64-R335 PolarHBondContact OE2-NH2 2.9Å; E64-R386 HydrophobicContact CB-CG 4.18Å; E64-R386 WeakPolarHBondContact OE2-CD 3.27Å; E64-R386 IonicContact OE2-NH1 2.99Å; E64-R386 PolarHBondContact OE2-NH1 3.07Å; E64-A393 WeakPolarHBondContact O-CB 3.49Å
65	G	98.1	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-137.3	-152.4	-173	0	0	0	0	0	114	L61 A62 R63 V385 A393 G394 R395	L61-G65 PolarHBondContact O-N 3.2Å; L61-G65 VanDerWaalsContact O-N 3.11Å; A62-G65 CarbonylContact O-C 3.55Å; A62-G65 PolarHBondContact O-N 2.75Å; R63-G65 VanDerWaalsContact C-N 3.33Å; G65-V385 CarbonylContact C-O 3.59Å; G65-V385 VanDerWaalsContact CA-O 3.26Å; G65-V385 WeakPolarHBondContact CA-O 3.17Å; G65-A393 CarbonylContact O-C 3.6Å; G65-G394 PolarHBondContact O-N 2.91Å; G65-R395 PolarHBondContact O-N 3Å
66	V	98.6	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.3	172.6	163	0	0	0	0	109.5	L68 I384 V385 V391 P392 R395 I397 L433	V66-L68 HydrophobicContact CG1-CD2 3.8Å; V66-I384 CarbonylContact O-C 3.54Å; V66-I384 WeakPolarHBondContact O-CA 3.34Å; V66-V385 PolarHBondContact N-O 2.86Å; V66-V385 PolarHBondContact O-N 3.41Å; V66-V391 HydrophobicContact CB-CG1 3.94Å; V66-V391 HydrophobicContact CG2-CG1 3.25Å; V66-P392 HydrophobicContact CG2-CG 4.45Å; V66-R395 CarbonylContact C-O 3.5Å; V66-R395 VanDerWaalsContact CA-O 3.26Å; V66-R395 WeakPolarHBondContact CA-O 3.5Å; V66-R395 HydrophobicContact CG2-CB 3.86Å; V66-R395 HydrophobicContact CG2-CG 4.2Å; V66-I397 HydrophobicContact CG1-CB 4.39Å; V66-I397 HydrophobicContact CG1-CD1 3.55Å; V66-I397 HydrophobicContact CG1-CG1 3.74Å; V66-I397 HydrophobicContact CG2-CD1 4.5Å; V66-L433 HydrophobicContact CB-CD2 4.16Å; V66-L433 HydrophobicContact CG1-CD2 3.8Å
67	Q	98.6	Very high	98.2	Very high	32 Å²	32	23.1 Å²	23.1	15%	0.15	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.4	170.5	-176.4	-177.3	-5.6	0	0	110.5	C47 Y48 R395 L396 I397	C47-Q67 PolarHBondContact O-NE2 2.85Å; Y48-Q67 HydrophobicContact CE1-CG 4.2Å; Y48-Q67 HydrophobicContact CE2-CG 4.12Å; Q67-R395 PolarHBondContact N-O 3.21Å; Q67-L396 HydrophobicContact CB-CD1 3.9Å; Q67-L396 HydrophobicContact CG-CD1 3.94Å; Q67-L396 WeakPolarHBondContact O-CA 3.34Å; Q67-I397 PolarHBondContact O-N 2.78Å
68	L	98.6	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.6	176.8	-52	178.7	0	0	0	109	Y48 V66 H71 G383 I397 L433	Y48-L68 WeakPolarHBondContact CE1-O 3.41Å; Y48-L68 PolarHBondContact OH-O 2.82Å; V66-L68 HydrophobicContact CG1-CD2 3.8Å; L68-H71 HydrophobicContact CB-CB 3.96Å; L68-H71 HydrophobicContact CD1-CB 4.35Å; L68-G383 WeakPolarHBondContact CB-O 3.34Å; L68-G383 WeakPolarHBondContact CG-O 3.29Å; L68-G383 PolarHBondContact N-O 3.36Å; L68-I397 HydrophobicContact CD2-CB 3.84Å; L68-I397 HydrophobicContact CD2-CD1 4.23Å; L68-I397 HydrophobicContact CD2-CG1 4.43Å; L68-I397 HydrophobicContact CD2-CG2 4.19Å; L68-L433 HydrophobicContact CD2-CD2 4.21Å
69	T	96.9	Very high	98.2	Very high	27 Å²	27	20.6 Å²	20.6	17%	0.166	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-12	-178.4	62.7	0	0	0	0	113.8	R380 L396 I397 K398	T69-R380 PolarHBondContact O-NH1 2.96Å; T69-L396 HydrophobicContact CG2-CD1 3.29Å; T69-L396 HydrophobicContact CG2-CD2 4.09Å; T69-L396 HydrophobicContact CG2-CG 3.75Å; T69-I397 PolarHBondContact N-O 3.47Å; T69-I397 PolarHBondContact OG1-O 2.82Å; T69-K398 WeakPolarHBondContact OG1-CA 2.95Å
70	Q	97.5	Very high	98.2	Very high	17 Å²	17	19.1 Å²	19.1	8%	0.079	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	53.2	175.3	-61.9	-142.9	11.9	0	0	110.2	R380 K398 P400 T401 R457	Q70-R380 VanDerWaalsContact CD-NH2 3.25Å; Q70-K398 VanDerWaalsContact CG-O 3.25Å; Q70-K398 WeakPolarHBondContact CG-O 3.38Å; Q70-P400 HydrophobicContact CB-CG 4.3Å; Q70-P400 WeakPolarHBondContact O-CA 3.09Å; Q70-T401 PolarHBondContact O-N 2.97Å; Q70-T401 PolarHBondContact O-OG1 2.96Å; Q70-R457 VanDerWaalsContact OE1-NH1 3.11Å
71	H	98.8	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.7	174.6	-157.2	47.6	0	0	0	110.5	L68 Y341 R380 V381 T401 S402	L68-H71 HydrophobicContact CB-CB 3.96Å; L68-H71 HydrophobicContact CD1-CB 4.35Å; H71-Y341 AromaticContact NE2-CE2 3.54Å; H71-Y341 AromaticContact NE2-CZ 3.53Å; H71-Y341 PolarHBondContact NE2-OH 2.72Å; H71-R380 WeakPolarHBondContact O-CA 3.49Å; H71-V381 HydrophobicContact CB-CG2 4.42Å; H71-V381 WeakPolarHBondContact O-CG2 3.4Å; H71-V381 PolarHBondContact O-N 3.07Å; H71-T401 PolarHBondContact ND1-OG1 3.48Å; H71-S402 PolarHBondContact CE1-O 3.24Å
72	I	98.7	Very high	98.2	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.015	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.1	-163.3	-52.1	-57	0	0	0	111.7	I379 R380 T401 S402 L403 L445 R457	I72-I379 CarbonylContact C-O 3.54Å; I72-I379 WeakPolarHBondContact CA-O 3.48Å; I72-I379 HydrophobicContact CG2-CB 4.09Å; I72-I379 HydrophobicContact CG2-CD1 3.93Å; I72-I379 HydrophobicContact CG2-CG1 4.11Å; I72-R380 HydrophobicContact CD1-CB 4.11Å; I72-R380 HydrophobicContact CD1-CG 4.15Å; I72-T401 WeakPolarHBondContact CB-O 2.97Å; I72-T401 WeakPolarHBondContact CG1-O 3.07Å; I72-T401 PolarHBondContact N-O 2.93Å; I72-S402 CarbonylContact O-C 3.59Å; I72-S402 WeakPolarHBondContact O-CA 3.5Å; I72-S402 PolarHBondContact O-OG 2.98Å; I72-S402 VanDerWaalsContact O-OG 3.11Å; I72-L403 PolarHBondContact O-N 2.81Å; I72-L445 HydrophobicContact CG1-CD1 4.37Å; I72-R457 VanDerWaalsContact CD1-NH2 3.25Å
73	S	98.5	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.			trans	-65.1	135.7	165.8	-174.7	0	0	0	0	111.8	A75 S81 D345 I379 L403	S73-A75 PolarHBondContact O-N 2.91Å; S73-A75 PolarHBondContact OG-N 3.26Å; S73-A75 PolarHBondContact OG-O 3.05Å; S73-S81 PolarHBondContact OG-OG 3.46Å; S73-D345 VanDerWaalsContact CB-O 3.29Å; S73-D345 WeakPolarHBondContact CB-O 3.32Å; S73-D345 PolarHBondContact OG-O 2.83Å; S73-I379 WeakPolarHBondContact CB-O 3.35Å; S73-I379 PolarHBondContact N-O 3.04Å; S73-L403 WeakPolarHBondContact OG-CD1 3.45Å
74	A	96	Very high	98.2	Very high	5 Å²	5	7.9 Å²	7.9	4%	0.041	4%	0.042	C	C	.	.	S	Bend	trans	-71.2	-14.3	177.8	0	0	0	0	0	112.9	A84 Y90 M404	A74-A84 HydrophobicContact CB-CB 3.44Å; A74-A84 VanDerWaalsContact CB-CB 3.44Å; A74-Y90 HydrophobicContact CB-CD1 4.37Å; A74-M404 HydrophobicContact CB-CE 4.39Å; A74-M404 HydrophobicContact CB-CG 3.84Å; A74-M404 HydrophobicContact CB-SD 3.82Å
75	A	98.2	Very high	98.3	Very high	8 Å²	8	5.8 Å²	5.8	7%	0.066	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-155.5	147.7	173.2	0	0	0	0	0	111.5	S73 L77 P80 S81 P91	S73-A75 PolarHBondContact O-N 2.91Å; S73-A75 PolarHBondContact OG-N 3.26Å; S73-A75 PolarHBondContact OG-O 3.05Å; A75-L77 PolarHBondContact O-N 3.49Å; A75-L77 VanDerWaalsContact O-N 3.08Å; A75-P80 HydrophobicContact CB-CB 3.59Å; A75-P80 HydrophobicContact CB-CG 3.77Å; A75-S81 WeakPolarHBondContact O-CB 3.37Å; A75-P91 HydrophobicContact CB-CG 4.16Å
76	S	97.9	Very high	98.3	Very high	4 Å²	4	5.8 Å²	5.8	3%	0.028	3%	0.033	C	C	.	.	S	Bend	trans	-82.1	22.2	-178.5	55.8	0	0	0	0	114.7	G371 M372 G373 G378	S76-G371 PolarHBondContact O-N 3.28Å; S76-G371 WeakPolarHBondContact OG-CA 3.47Å; S76-M372 PolarHBondContact OG-N 2.8Å; S76-M372 VanDerWaalsContact OG-N 3.16Å; S76-G373 WeakPolarHBondContact OG-CA 3.38Å; S76-G373 PolarHBondContact OG-N 2.76Å; S76-G378 WeakPolarHBondContact CA-O 3.06Å; S76-G378 VanDerWaalsContact CB-O 3.23Å; S76-G378 WeakPolarHBondContact CB-O 3.35Å
77	L	98.1	Very high	98.3	Very high	9 Å²	9	5.8 Å²	5.8	5%	0.047	3%	0.033	C	C	.	.	S	Bend	trans	-144.4	152.2	-178.4	-74.6	175.1	0	0	0	111.8	A75 P80 S81 R103 V104 H346 K370 L490	A75-L77 PolarHBondContact O-N 3.49Å; A75-L77 VanDerWaalsContact O-N 3.08Å; L77-P80 HydrophobicContact CB-CG 3.79Å; L77-P80 WeakPolarHBondContact O-CD 3.38Å; L77-P80 WeakPolarHBondContact O-CG 3.47Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 2.84Å; L77-R103 HydrophobicContact CD1-CB 3.29Å; L77-R103 HydrophobicContact CD1-CG 4.28Å; L77-V104 HydrophobicContact CB-CG1 3.96Å; L77-V104 HydrophobicContact CD1-CG1 4.4Å; L77-H346 WeakPolarHBondContact CA-CD2 3.47Å; L77-K370 HydrophobicContact CD2-CG 3.92Å; L77-L490 HydrophobicContact CD2-CD1 4.33Å; L77-L490 HydrophobicContact CD2-CD2 4.26Å
78	C	97.9	Very high	98.3	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.014	3%	0.026	C	C	.	.	H	α-helix	trans	-56	-65.1	-168.1	-46.4	0	0	0	0	114	S81 R82 K137 H139 D345 H346	C78-S81 PolarHBondContact O-N 2.78Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 WeakPolarHBondContact O-CD 3.33Å; C78-R82 VanDerWaalsContact O-CG 3.29Å; C78-R82 WeakPolarHBondContact O-CG 3.46Å; C78-R82 PolarHBondContact O-N 3.32Å; C78-K137 PolarHBondContact SG-NZ 3.41Å; C78-K137 VanDerWaalsContact SG-NZ 3.38Å; C78-H139 WeakPolarHBondContact CB-ND1 3.43Å; C78-D345 WeakPolarHBondContact CA-OD2 3.46Å; C78-D345 WeakPolarHBondContact CB-OD2 3.42Å; C78-H346 PolarHBondContact N-CD2 3.29Å; C78-H346 VanDerWaalsContact N-CD2 3.3Å; C78-H346 PolarHBondContact N-NE2 3.06Å; C78-H346 PolarHBondContact SG-NE2 2.65Å
79	S	98.4	Very high	98.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-55.2	-52.2	-176	-54.2	0	0	0	0	113.4	S83 V105 H139 Q140	S79-S83 WeakPolarHBondContact O-CB 3.37Å; S79-S83 PolarHBondContact O-N 2.97Å; S79-V105 PolarHBondContact OG-N 2.67Å; S79-V105 VanDerWaalsContact OG-N 3.09Å; S79-H139 WeakPolarHBondContact CB-O 3.25Å; S79-H139 PolarHBondContact OG-CD2 3.33Å; S79-H139 VanDerWaalsContact OG-CD2 3.31Å; S79-H139 PolarHBondContact OG-NE2 3.18Å; S79-H139 PolarHBondContact OG-O 3.34Å; S79-H139 VanDerWaalsContact OG-O 3.09Å; S79-Q140 PolarHBondContact O-NE2 3.11Å
80	P	98.6	Very high	98.4	Very high	9 Å²	9	4.4 Å²	4.4	6%	0.058	2%	0.023	C	C	.	.	H	α-helix	trans	-63.2	-44.1	178.3	21.3	-30.7	0	0	0	112.2	A75 L77 R82 S83 A84 P91 M96	A75-P80 HydrophobicContact CB-CB 3.59Å; A75-P80 HydrophobicContact CB-CG 3.77Å; L77-P80 HydrophobicContact CB-CG 3.79Å; L77-P80 WeakPolarHBondContact O-CD 3.38Å; L77-P80 WeakPolarHBondContact O-CG 3.47Å; P80-R82 PolarHBondContact O-N 3.1Å; P80-S83 WeakPolarHBondContact O-CB 3.44Å; P80-S83 PolarHBondContact O-N 2.87Å; P80-S83 PolarHBondContact O-OG 3.05Å; P80-A84 PolarHBondContact O-N 3.16Å; P80-P91 HydrophobicContact CB-CB 3.69Å; P80-P91 HydrophobicContact CB-CG 3.7Å; P80-P91 VanDerWaalsContact O-CG 3.25Å; P80-P91 WeakPolarHBondContact O-CG 3.38Å; P80-M96 WeakPolarHBondContact CB-O 3.37Å
81	S	98.8	Very high	98.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-59.4	-49.4	179.2	174.8	0	0	0	0	112.1	S73 A75 L77 C78 S83 A84 F85 D345 L403	S73-S81 PolarHBondContact OG-OG 3.46Å; A75-S81 WeakPolarHBondContact O-CB 3.37Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 2.84Å; C78-S81 PolarHBondContact O-N 2.78Å; S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.04Å; S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 2.74Å; S81-F85 PolarHBondContact O-N 2.98Å; S81-D345 WeakPolarHBondContact CB-O 3.33Å; S81-D345 PolarHBondContact OG-O 2.99Å; S81-L403 WeakPolarHBondContact OG-CD1 3.26Å
82	R	98.8	Very high	98.4	Very high	4 Å²	4	4 Å²	4	2%	0.015	2%	0.022	C	C	.	.	H	α-helix	trans	-61.8	-36.9	178.5	-71.2	162.7	-175.8	-84.4	-2.1	111.7	M36 D38 C78 P80 A84 F85 L86 S288 D345	M36-R82 HydrophobicContact SD-CG 3.83Å; D38-R82 IonicContact OD1-CZ 3.75Å; D38-R82 IonicContact OD1-NE 2.72Å; D38-R82 IonicContact OD1-NH2 2.63Å; D38-R82 PolarHBondContact OD1-NH2 3.31Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 WeakPolarHBondContact O-CD 3.33Å; C78-R82 VanDerWaalsContact O-CG 3.29Å; C78-R82 WeakPolarHBondContact O-CG 3.46Å; C78-R82 PolarHBondContact O-N 3.32Å; P80-R82 PolarHBondContact O-N 3.1Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.38Å; R82-F85 PolarHBondContact O-N 3.31Å; R82-L86 WeakPolarHBondContact O-CB 3.42Å; R82-L86 WeakPolarHBondContact O-CD1 3.48Å; R82-L86 WeakPolarHBondContact O-CG 3.49Å; R82-L86 PolarHBondContact O-N 3.21Å; R82-S288 PolarHBondContact NH1-OG 2.81Å; R82-D345 HydrophobicContact CG-CB 4.24Å; R82-D345 IonicContact CZ-OD2 3.69Å; R82-D345 IonicContact NE-OD2 3.41Å; R82-D345 PolarHBondContact NE-OD2 3.29Å; R82-D345 IonicContact NH2-OD2 2.76Å; R82-D345 PolarHBondContact NH2-OD2 2.79Å
83	S	98.8	Very high	98.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.6	-41.1	173.1	82	0	0	0	0	111.9	S79 P80 S81 L86 T87 M96 Q140	S79-S83 WeakPolarHBondContact O-CB 3.37Å; S79-S83 PolarHBondContact O-N 2.97Å; P80-S83 WeakPolarHBondContact O-CB 3.44Å; P80-S83 PolarHBondContact O-N 2.87Å; P80-S83 PolarHBondContact O-OG 3.05Å; S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.04Å; S83-L86 PolarHBondContact O-N 3.29Å; S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 WeakPolarHBondContact O-CG2 3.07Å; S83-T87 PolarHBondContact O-N 2.9Å; S83-T87 VanDerWaalsContact O-N 3.1Å; S83-T87 PolarHBondContact O-OG1 3.39Å; S83-M96 WeakPolarHBondContact OG-CB 3.5Å; S83-Q140 VanDerWaalsContact CB-OE1 3.24Å
84	A	98.8	Very high	98.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-73.8	-38.2	-178.9	0	0	0	0	0	112	A74 P80 S81 R82 L86 T87 G88 R89 P91 M404	A74-A84 HydrophobicContact CB-CB 3.44Å; A74-A84 VanDerWaalsContact CB-CB 3.44Å; P80-A84 PolarHBondContact O-N 3.16Å; S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 2.74Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.38Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-T87 PolarHBondContact O-N 2.83Å; A84-G88 WeakPolarHBondContact O-CA 3.35Å; A84-G88 PolarHBondContact O-N 3.49Å; A84-R89 WeakPolarHBondContact CA-O 3.4Å; A84-R89 WeakPolarHBondContact CB-O 3.45Å; A84-P91 HydrophobicContact CB-CG 4.03Å; A84-M404 HydrophobicContact CB-CG 3.94Å; A84-M404 HydrophobicContact CB-SD 4.49Å
85	F	98.9	Very high	98.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.8	-45.8	172.1	-178.4	-108.4	0	0	0	111.9	L34 M36 S81 R82 F121 F286 Y341 L403 I406	L34-F85 HydrophobicContact CB-CZ 4.22Å; L34-F85 HydrophobicContact CD1-CE1 4.22Å; L34-F85 HydrophobicContact CD1-CZ 4.02Å; M36-F85 HydrophobicContact CE-CB 3.87Å; M36-F85 HydrophobicContact CE-CD1 3.49Å; M36-F85 VanDerWaalsContact CE-CD1 3.49Å; M36-F85 HydrophobicContact CE-CD2 3.6Å; M36-F85 HydrophobicContact CE-CE1 3.85Å; M36-F85 HydrophobicContact CE-CE2 3.9Å; M36-F85 HydrophobicContact CE-CG 3.37Å; M36-F85 HydrophobicContact CE-CZ 4.04Å; S81-F85 PolarHBondContact O-N 2.98Å; R82-F85 PolarHBondContact O-N 3.31Å; F85-F121 AromaticContact CD1-CE1 3.57Å; F85-F121 HydrophobicContact CD1-CE1 3.57Å; F85-F121 HydrophobicContact CD1-CZ 4.03Å; F85-F121 AromaticContact CE1-CE1 3.51Å; F85-F121 HydrophobicContact CE1-CE1 3.51Å; F85-F121 AromaticContact CE1-CZ 3.67Å; F85-F121 HydrophobicContact CE1-CZ 3.67Å; F85-F121 HydrophobicContact CG-CE1 4.37Å; F85-F121 HydrophobicContact CZ-CE1 4.29Å; F85-F121 WeakPolarHBondContact O-CD1 3.3Å; F85-F121 WeakPolarHBondContact O-CE1 3.3Å; F85-F286 HydrophobicContact CD1-CE1 4.44Å; F85-F286 HydrophobicContact CD1-CE2 4.33Å; F85-F286 AromaticContact CD1-CZ 3.97Å; F85-F286 HydrophobicContact CD1-CZ 3.97Å; F85-F286 HydrophobicContact CE1-CD2 4.17Å; F85-F286 HydrophobicContact CE1-CE1 4.3Å; F85-F286 AromaticContact CE1-CE2 3.63Å; F85-F286 HydrophobicContact CE1-CE2 3.63Å; F85-F286 AromaticContact CE1-CZ 3.72Å; F85-F286 HydrophobicContact CE1-CZ 3.72Å; F85-F286 HydrophobicContact CZ-CE2 4.42Å; F85-Y341 HydrophobicContact CE2-CD1 4.3Å; F85-Y341 AromaticContact CE2-CE1 3.49Å; F85-Y341 HydrophobicContact CE2-CE1 3.49Å; F85-Y341 VanDerWaalsContact CE2-CE1 3.49Å; F85-Y341 HydrophobicContact CZ-CD1 4.29Å; F85-Y341 AromaticContact CZ-CE1 3.85Å; F85-Y341 HydrophobicContact CZ-CE1 3.85Å; F85-L403 HydrophobicContact CD2-CB 4.13Å; F85-L403 WeakPolarHBondContact CD2-O 3.23Å; F85-I406 HydrophobicContact CD2-CB 4.33Å; F85-I406 HydrophobicContact CD2-CG1 4.28Å; F85-I406 HydrophobicContact CE2-CB 3.9Å; F85-I406 HydrophobicContact CE2-CG1 3.66Å; F85-I406 HydrophobicContact CE2-CG2 4.03Å; F85-I406 HydrophobicContact CZ-CB 4.47Å; F85-I406 HydrophobicContact CZ-CG1 4.44Å; F85-I406 HydrophobicContact CZ-CG2 4.09Å
86	L	98.9	Very high	98.4	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-65.3	-40	179.2	-72.3	162	0	0	0	112.6	R82 S83 A84 L114 T120 F121 W138 Q140 F159 F286 L407	R82-L86 WeakPolarHBondContact O-CB 3.42Å; R82-L86 WeakPolarHBondContact O-CD1 3.48Å; R82-L86 WeakPolarHBondContact O-CG 3.49Å; R82-L86 PolarHBondContact O-N 3.21Å; S83-L86 PolarHBondContact O-N 3.29Å; A84-L86 VanDerWaalsContact C-N 3.34Å; L86-L114 HydrophobicContact CD1-CD2 4.22Å; L86-T120 HydrophobicContact CB-CG2 3.99Å; L86-T120 CarbonylContact O-C 3.35Å; L86-T120 WeakPolarHBondContact O-CA 3.46Å; L86-F121 HydrophobicContact CB-CE1 4.45Å; L86-F121 HydrophobicContact CD2-CD1 4.49Å; L86-F121 HydrophobicContact CD2-CE1 3.76Å; L86-F121 HydrophobicContact CD2-CE2 4.31Å; L86-F121 HydrophobicContact CD2-CZ 3.63Å; L86-F121 HydrophobicContact CG-CE1 4.32Å; L86-F121 WeakPolarHBondContact O-CD1 3.48Å; L86-F121 PolarHBondContact O-N 2.9Å; L86-W138 HydrophobicContact CD1-CE3 4.41Å; L86-W138 HydrophobicContact CD1-CH2 3.57Å; L86-W138 HydrophobicContact CD1-CZ3 3.41Å; L86-W138 VanDerWaalsContact CD1-CZ3 3.41Å; L86-W138 HydrophobicContact CD2-CH2 4.46Å; L86-W138 HydrophobicContact CD2-CZ3 4.04Å; L86-W138 HydrophobicContact CG-CZ3 4.38Å; L86-Q140 HydrophobicContact CD1-CG 3.88Å; L86-F159 HydrophobicContact CD2-CE2 4.24Å; L86-F159 HydrophobicContact CD2-CZ 4.25Å; L86-F286 HydrophobicContact CD2-CE1 4.34Å; L86-L407 WeakPolarHBondContact O-CD1 2.93Å
87	T	98.8	Very high	98.4	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-107.8	-9.3	-165.7	61.5	0	0	0	0	115	S83 A84 R89 L114 E118	S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 WeakPolarHBondContact O-CG2 3.07Å; S83-T87 PolarHBondContact O-N 2.9Å; S83-T87 VanDerWaalsContact O-N 3.1Å; S83-T87 PolarHBondContact O-OG1 3.39Å; A84-T87 PolarHBondContact O-N 2.83Å; T87-R89 PolarHBondContact O-N 3.16Å; T87-R89 PolarHBondContact OG1-N 3.23Å; T87-L114 HydrophobicContact CG2-CD1 3.98Å; T87-L114 HydrophobicContact CG2-CD2 4.34Å; T87-E118 HydrophobicContact CG2-CB 3.85Å; T87-E118 HydrophobicContact CG2-CG 4.3Å
88	G	98.8	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	61.8	22.9	-173.4	0	0	0	0	0	113.9	A84 M404 D425 G426	A84-G88 WeakPolarHBondContact O-CA 3.35Å; A84-G88 PolarHBondContact O-N 3.49Å; G88-M404 WeakPolarHBondContact CA-O 3.43Å; G88-D425 PolarHBondContact O-N 3.35Å; G88-G426 PolarHBondContact O-N 3.42Å
89	R	98.8	Very high	98	Very high	23 Å²	23	6.7 Å²	6.7	9%	0.087	4%	0.038	C	C	.	.	S	Bend	trans	-128.9	145.9	-173.2	-73.7	161.2	56.8	85.1	-8.5	110.9	A84 T87 E118 M404 V423 I424 D425	A84-R89 WeakPolarHBondContact CA-O 3.4Å; A84-R89 WeakPolarHBondContact CB-O 3.45Å; T87-R89 PolarHBondContact O-N 3.16Å; T87-R89 PolarHBondContact OG1-N 3.23Å; R89-E118 WeakPolarHBondContact CD-OE2 3.34Å; R89-E118 IonicContact CZ-OE1 2.82Å; R89-E118 IonicContact CZ-OE2 3.32Å; R89-E118 IonicContact NE-OE1 3.84Å; R89-E118 PolarHBondContact NE-OE1 3.41Å; R89-E118 VanDerWaalsContact NE-OE1 3.1Å; R89-E118 IonicContact NE-OE2 3Å; R89-E118 PolarHBondContact NE-OE2 3.32Å; R89-E118 IonicContact NH2-OE1 2.75Å; R89-E118 PolarHBondContact NH2-OE1 3.4Å; R89-M404 VanDerWaalsContact C-SD 3.55Å; R89-V423 WeakPolarHBondContact CG-O 3.39Å; R89-V423 PolarHBondContact NH1-O 2.91Å; R89-I424 HydrophobicContact CG-CD1 4.05Å; R89-D425 VanDerWaalsContact CA-OD2 3.28Å; R89-D425 WeakPolarHBondContact CA-OD2 3.33Å
90	Y	98.8	Very high	97.7	Very high	8 Å²	8	7.4 Å²	7.4	3%	0.031	5%	0.045	C	C	.	.			trans	-58.6	142.2	172.6	-77.3	-69.1	0	0	0	110.6	A74 I92 R93 M404 D425 F446 Y448 H541	A74-Y90 HydrophobicContact CB-CD1 4.37Å; Y90-I92 PolarHBondContact O-N 2.89Å; Y90-R93 WeakPolarHBondContact O-CB 3.47Å; Y90-R93 PolarHBondContact O-N 2.9Å; Y90-M404 HydrophobicContact CD1-CE 4.08Å; Y90-M404 HydrophobicContact CD1-SD 3.9Å; Y90-M404 HydrophobicContact CD2-CE 4.41Å; Y90-M404 HydrophobicContact CD2-SD 4.34Å; Y90-M404 HydrophobicContact CE1-CE 3.62Å; Y90-M404 HydrophobicContact CE1-SD 4.09Å; Y90-M404 HydrophobicContact CE2-CE 3.99Å; Y90-M404 HydrophobicContact CG-CE 4.44Å; Y90-M404 HydrophobicContact CG-SD 4.02Å; Y90-D425 HydrophobicContact CD2-CB 3.9Å; Y90-D425 WeakPolarHBondContact CD2-OD1 3.18Å; Y90-D425 WeakPolarHBondContact CD2-OD2 3.42Å; Y90-D425 HydrophobicContact CE2-CB 3.93Å; Y90-D425 PolarHBondContact N-OD2 3.49Å; Y90-F446 HydrophobicContact CE1-CB 4.36Å; Y90-F446 WeakPolarHBondContact CE1-O 3.27Å; Y90-F446 HydrophobicContact CE2-CB 4.35Å; Y90-F446 AromaticContact CE2-CD2 3.99Å; Y90-F446 HydrophobicContact CE2-CD2 3.99Å; Y90-F446 PolarHBondContact OH-N 3.24Å; Y90-Y448 HydrophobicContact CD1-CD2 4.36Å; Y90-H541 AromaticContact CD2-CE1 3.92Å
91	P	98.6	Very high	97.2	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.013	6%	0.059	C	C	.	.	H	α-helix	trans	-59.1	-26.2	-178.2	-27.8	38	0	0	0	114.1	A75 P80 A84 R93 S94 G95 M96 V97	A75-P91 HydrophobicContact CB-CG 4.16Å; P80-P91 HydrophobicContact CB-CB 3.69Å; P80-P91 HydrophobicContact CB-CG 3.7Å; P80-P91 VanDerWaalsContact O-CG 3.25Å; P80-P91 WeakPolarHBondContact O-CG 3.38Å; A84-P91 HydrophobicContact CB-CG 4.03Å; P91-R93 PolarHBondContact O-N 2.83Å; P91-S94 PolarHBondContact O-N 2.88Å; P91-S94 PolarHBondContact O-OG 2.85Å; P91-G95 PolarHBondContact O-N 2.91Å; P91-M96 HydrophobicContact CB-CB 4.44Å; P91-M96 PolarHBondContact O-N 3.5Å; P91-V97 HydrophobicContact CB-CG1 3.62Å
92	I	98.3	Very high	96.8	Very high	7 Å²	7	15.8 Å²	15.8	4%	0.036	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-28.5	174.7	-168.9	61.4	0	0	0	112.3	Y90 V97 Y448 I545 V548 Y550	Y90-I92 PolarHBondContact O-N 2.89Å; I92-V97 HydrophobicContact CD1-CG2 3.8Å; I92-Y448 HydrophobicContact CB-CE1 4.36Å; I92-Y448 HydrophobicContact CG1-CE1 4.34Å; I92-Y448 HydrophobicContact CG2-CE1 4.34Å; I92-Y448 HydrophobicContact CG2-CE2 4.26Å; I92-I545 HydrophobicContact CG1-CG2 3.88Å; I92-I545 HydrophobicContact CG2-CD1 3.82Å; I92-I545 HydrophobicContact CG2-CG2 4.48Å; I92-V548 WeakPolarHBondContact O-CG2 3.48Å; I92-Y550 HydrophobicContact CD1-CE1 3.84Å; I92-Y550 WeakPolarHBondContact CD1-OH 3.18Å
93	R	98.5	Very high	96.6	Very high	16 Å²	16	16.2 Å²	16.2	6%	0.06	8%	0.082	C	C	.	.	H	α-helix	trans	-77.8	-34.1	-179.3	-57.5	-171.5	-175.5	-77.2	-1	112.9	Y90 P91 D425 T544 I545	Y90-R93 WeakPolarHBondContact O-CB 3.47Å; Y90-R93 PolarHBondContact O-N 2.9Å; P91-R93 PolarHBondContact O-N 2.83Å; R93-D425 VanDerWaalsContact CD-OD2 3.23Å; R93-D425 WeakPolarHBondContact CD-OD2 3.38Å; R93-D425 IonicContact CZ-OD1 3.05Å; R93-D425 VanDerWaalsContact CZ-OD1 3.26Å; R93-D425 IonicContact CZ-OD2 2.74Å; R93-D425 VanDerWaalsContact NE-CG 3.26Å; R93-D425 IonicContact NE-OD1 2.57Å; R93-D425 PolarHBondContact NE-OD1 2.98Å; R93-D425 IonicContact NE-OD2 3.26Å; R93-D425 PolarHBondContact NE-OD2 2.83Å; R93-D425 IonicContact NH2-OD1 3.04Å; R93-D425 PolarHBondContact NH2-OD1 3.27Å; R93-D425 IonicContact NH2-OD2 3.89Å; R93-T544 PolarHBondContact NH1-O 3.32Å; R93-T544 PolarHBondContact NH1-OG1 3.02Å; R93-T544 PolarHBondContact NH2-OG1 3.37Å; R93-T544 VanDerWaalsContact NH2-OG1 3.08Å; R93-I545 HydrophobicContact CG-CD1 4.16Å
94	S	97.6	Very high	96.5	Very high	4 Å²	4	18 Å²	18	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-88.3	-9	175	61.6	0	0	0	0	112.4	P91 M96 P115 E118	P91-S94 PolarHBondContact O-N 2.88Å; P91-S94 PolarHBondContact O-OG 2.85Å; S94-M96 PolarHBondContact O-N 3.23Å; S94-M96 PolarHBondContact OG-N 3.05Å; S94-P115 WeakPolarHBondContact O-CD 3.48Å; S94-P115 WeakPolarHBondContact O-CG 3.18Å; S94-E118 WeakPolarHBondContact CA-OE1 3.35Å; S94-E118 WeakPolarHBondContact CB-OE1 3.45Å
95	G	97.5	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	10.9	-174.4	0	0	0	0	0	113.3	P91 V97 Y550 Q551	P91-G95 PolarHBondContact O-N 2.91Å; G95-V97 PolarHBondContact O-N 3.35Å; G95-Y550 CarbonylContact O-C 3.56Å; G95-Y550 WeakPolarHBondContact O-CA 3.36Å; G95-Q551 WeakPolarHBondContact O-CB 3.39Å; G95-Q551 PolarHBondContact O-N 2.89Å
96	M	97.9	Very high	96	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.			trans	-73.9	47.9	172	-75.7	-60.3	-64.7	0	0	111.9	P80 S83 P91 S94 V105 G113 L114 Q551 L552	P80-M96 WeakPolarHBondContact CB-O 3.37Å; S83-M96 WeakPolarHBondContact OG-CB 3.5Å; P91-M96 HydrophobicContact CB-CB 4.44Å; P91-M96 PolarHBondContact O-N 3.5Å; S94-M96 PolarHBondContact O-N 3.23Å; S94-M96 PolarHBondContact OG-N 3.05Å; M96-V105 HydrophobicContact CE-CG2 4.45Å; M96-G113 VanDerWaalsContact SD-O 3.32Å; M96-L114 HydrophobicContact CG-CD1 4.29Å; M96-Q551 HydrophobicContact SD-CB 3.7Å; M96-Q551 HydrophobicContact SD-CG 3.97Å; M96-L552 HydrophobicContact CE-CD2 4.08Å
97	V	97.1	Very high	95.7	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.03	12%	0.115	C	C	.	.			trans	-137.2	169.7	-178.5	-66.7	0	0	0	0	110.1	P91 I92 G95 G450 Y550 L552	P91-V97 HydrophobicContact CB-CG1 3.62Å; I92-V97 HydrophobicContact CD1-CG2 3.8Å; G95-V97 PolarHBondContact O-N 3.35Å; V97-G450 WeakPolarHBondContact CG1-O 3.19Å; V97-Y550 HydrophobicContact CG2-CD1 3.62Å; V97-Y550 HydrophobicContact CG2-CD2 4.44Å; V97-Y550 HydrophobicContact CG2-CE1 3.7Å; V97-Y550 HydrophobicContact CG2-CG 4.02Å; V97-L552 WeakPolarHBondContact O-CB 3.25Å; V97-L552 PolarHBondContact O-N 3.49Å
98	S	94.6	Very high	95.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	12%	0.116	C	C	.	.			trans	-132.8	146.7	172.3	-164.8	0	0	0	0	110.5	G100 R102 G450 S451 L552	S98-G100 VanDerWaalsContact C-N 3.31Å; S98-G100 PolarHBondContact OG-N 3.43Å; S98-R102 WeakPolarHBondContact CB-O 3.36Å; S98-R102 PolarHBondContact OG-O 3.38Å; S98-R102 VanDerWaalsContact OG-O 3.07Å; S98-G450 CarbonylContact O-C 3.5Å; S98-G450 WeakPolarHBondContact O-CA 3.47Å; S98-S451 PolarHBondContact O-N 3.44Å; S98-S451 PolarHBondContact O-OG 2.92Å; S98-L552 WeakPolarHBondContact CB-O 3.31Å; S98-L552 PolarHBondContact OG-O 3Å
99	S	92.7	Very high	95.2	Very high	58 Å²	58	22.9 Å²	22.9	41%	0.406	12%	0.118	S	C	.	.	S	Bend	trans	-86.7	-6.6	161.4	-62.9	0	0	0	0	112.6	S451 F494 Y550	S99-S451 WeakPolarHBondContact CA-OG 3.42Å; S99-S451 PolarHBondContact OG-OG 3.19Å; S99-F494 WeakPolarHBondContact O-CE1 3.02Å; S99-F494 WeakPolarHBondContact O-CZ 3.39Å; S99-Y550 VanDerWaalsContact OG-CE2 3.27Å; S99-Y550 WeakPolarHBondContact OG-CE2 3.39Å
100	G	91.7	Very high	95	Very high	15 Å²	15	22 Å²	22	16%	0.155	12%	0.115	C	C	.	.	S	Bend	trans	-104	-166.1	178.8	0	0	0	0	0	112.5	S98	S98-G100 VanDerWaalsContact C-N 3.31Å; S98-G100 PolarHBondContact OG-N 3.43Å
101	N	88.7	Confident	94.7	Very high	67 Å²	67	22.5 Å²	22.5	36%	0.358	12%	0.119	S	C	.	.	S	Bend	trans	-82.5	-22.3	-177.5	-72.2	-39.2	0	0	0	113.8	R103 R492	N101-R103 PolarHBondContact O-N 2.87Å; N101-R492 PolarHBondContact ND2-NH1 2.74Å; N101-R492 VanDerWaalsContact ND2-NH1 3.17Å; N101-R492 VanDerWaalsContact OD1-CD 3.23Å; N101-R492 WeakPolarHBondContact OD1-CD 3.38Å; N101-R492 PolarHBondContact OD1-NH1 3.26Å
102	R	91.1	Very high	94.5	Very high	119 Å²	119	22.4 Å²	22.4	45%	0.449	12%	0.118	S	C	.	.			trans	-81.1	95.3	175.2	-65	-177.5	-177.2	169.2	2.7	109.2	S98	S98-R102 WeakPolarHBondContact CB-O 3.36Å; S98-R102 PolarHBondContact OG-O 3.38Å; S98-R102 VanDerWaalsContact OG-O 3.07Å
103	R	94.3	Very high	94.4	Very high	12 Å²	12	22 Å²	22	5%	0.045	12%	0.117	C	C	.	.			trans	-108.4	10.2	-171.8	-66.3	178.4	-67.3	162.4	-6.8	114.2	L77 N101 G371 C449 C491 C493 L552	L77-R103 HydrophobicContact CD1-CB 3.29Å; L77-R103 HydrophobicContact CD1-CG 4.28Å; N101-R103 PolarHBondContact O-N 2.87Å; R103-G371 PolarHBondContact NH1-O 3.4Å; R103-C449 PolarHBondContact NH1-SG 3.44Å; R103-C491 PolarHBondContact NH2-O 3.15Å; R103-C493 WeakPolarHBondContact CD-SG 3.04Å; R103-C493 PolarHBondContact NH1-SG 2.94Å; R103-L552 VanDerWaalsContact O-CD1 3.26Å; R103-L552 WeakPolarHBondContact O-CD1 3.24Å
104	V	96	Very high	94.4	Very high	38 Å²	38	21.3 Å²	21.3	23%	0.23	11%	0.114	C	C	.	.	S	Bend	trans	-137	161.9	172.5	-66.5	0	0	0	0	108.7	L77 H106	L77-V104 HydrophobicContact CB-CG1 3.96Å; L77-V104 HydrophobicContact CD1-CG1 4.4Å; V104-H106 PolarHBondContact O-N 2.94Å
105	V	95.9	Very high	94.4	Very high	3 Å²	3	22 Å²	22	2%	0.018	12%	0.118	C	C	.	.			trans	-58.1	127.1	160.7	178.6	0	0	0	0	105.4	S79 M96 H139 F167 L552	S79-V105 PolarHBondContact OG-N 2.67Å; S79-V105 VanDerWaalsContact OG-N 3.09Å; M96-V105 HydrophobicContact CE-CG2 4.45Å; V105-H139 PolarHBondContact O-NE2 3.2Å; V105-F167 HydrophobicContact CG1-CD2 4.48Å; V105-F167 HydrophobicContact CG1-CE2 4.47Å; V105-F167 VanDerWaalsContact O-CE2 3.31Å; V105-F167 WeakPolarHBondContact O-CE2 3.33Å; V105-L552 HydrophobicContact CG2-CD2 3.84Å
106	H	91.5	Very high	94.4	Very high	64 Å²	64	27.1 Å²	27.1	30%	0.296	15%	0.145	S	C	.	.			trans	-113.3	-6.4	-166.9	60.3	-79.5	0	0	0	113.4	V104 V110 F167	V104-H106 PolarHBondContact O-N 2.94Å; H106-V110 WeakPolarHBondContact CE1-CG2 3.36Å; H106-F167 VanDerWaalsContact C-CZ 3.41Å; H106-F167 WeakPolarHBondContact O-CZ 3.12Å
107	N	92.3	Very high	94.3	Very high	29 Å²	29	32.3 Å²	32.3	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	-169.5	169.3	166.5	63.1	74.1	0	0	0	109.8	A109 V110	N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 3.07Å; N107-A109 VanDerWaalsContact OD1-CA 3.31Å; N107-A109 WeakPolarHBondContact OD1-CA 3.44Å; N107-A109 WeakPolarHBondContact OD1-CB 3.25Å; N107-A109 PolarHBondContact OD1-N 2.95Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.37Å; N107-V110 PolarHBondContact OD1-N 2.78Å
108	L	94.5	Very high	94.3	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.2	-178.7	-69.6	174.9	0	0	0	115.2	L142 P166 F167 D244 L246 P564	L108-L142 HydrophobicContact CD2-CB 3.98Å; L108-L142 HydrophobicContact CD2-CD2 4.03Å; L108-P166 HydrophobicContact CD1-CG 4.02Å; L108-P166 HydrophobicContact CD2-CB 4.12Å; L108-P166 HydrophobicContact CD2-CG 3.98Å; L108-F167 HydrophobicContact CD1-CB 4.16Å; L108-F167 HydrophobicContact CD2-CB 3.74Å; L108-F167 HydrophobicContact CD2-CG 4.39Å; L108-F167 HydrophobicContact CG-CB 3.84Å; L108-F167 HydrophobicContact CG-CG 4.23Å; L108-D244 WeakPolarHBondContact CB-OD1 3.3Å; L108-D244 PolarHBondContact N-OD1 3.29Å; L108-L246 HydrophobicContact CD1-CD2 3.71Å; L108-L246 HydrophobicContact CD1-CG 4.06Å; L108-P564 HydrophobicContact CB-CG 3.86Å; L108-P564 HydrophobicContact CD1-CG 3.61Å; L108-P564 HydrophobicContact CG-CG 4.3Å
109	A	93.3	Very high	94.5	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.1	176.3	0	0	0	0	0	112.8	N107 G558 R559 L562 K563	N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 3.07Å; N107-A109 VanDerWaalsContact OD1-CA 3.31Å; N107-A109 WeakPolarHBondContact OD1-CA 3.44Å; N107-A109 WeakPolarHBondContact OD1-CB 3.25Å; N107-A109 PolarHBondContact OD1-N 2.95Å; A109-G558 CarbonylContact O-C 3.59Å; A109-G558 WeakPolarHBondContact O-CA 3.31Å; A109-R559 VanDerWaalsContact CB-O 3.24Å; A109-R559 WeakPolarHBondContact CB-O 3.24Å; A109-R559 PolarHBondContact O-N 3.41Å; A109-L562 WeakPolarHBondContact O-CD1 3.38Å; A109-K563 HydrophobicContact CB-CD 3.45Å; A109-K563 VanDerWaalsContact CB-CD 3.45Å; A109-K563 HydrophobicContact CB-CG 3.8Å
110	V	93.1	Very high	94.8	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	16%	0.163	C	C	.	.			trans	-84.2	128.2	-176.6	-176.1	0	0	0	0	109.8	H106 N107 A112 N556	H106-V110 WeakPolarHBondContact CE1-CG2 3.36Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.37Å; N107-V110 PolarHBondContact OD1-N 2.78Å; V110-A112 HydrophobicContact CG1-CB 3.51Å; V110-A112 PolarHBondContact O-N 2.68Å; V110-N556 HydrophobicContact CG1-CB 4Å; V110-N556 WeakPolarHBondContact CG1-O 3.32Å
111	P	94.4	Very high	95.1	Very high	17 Å²	17	30.6 Å²	30.6	11%	0.11	16%	0.156	C	C	.	.	S	Bend	trans	-79.2	53.8	173.3	35.7	-36.3	0	0	0	111	N143 C144 N556 Q557 L562	P111-N143 WeakPolarHBondContact CA-O 3.48Å; P111-C144 VanDerWaalsContact CB-O 3.29Å; P111-C144 WeakPolarHBondContact CB-O 3.31Å; P111-N556 HydrophobicContact CG-CB 4.43Å; P111-Q557 VanDerWaalsContact CD-O 3.27Å; P111-Q557 WeakPolarHBondContact CD-O 3.39Å; P111-L562 HydrophobicContact CB-CD1 3.72Å; P111-L562 HydrophobicContact CG-CD1 4.2Å
112	A	93.9	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-137	141.3	-178.8	0	0	0	0	0	110.4	V110 G141 Q551 N556	V110-A112 HydrophobicContact CG1-CB 3.51Å; V110-A112 PolarHBondContact O-N 2.68Å; A112-G141 WeakPolarHBondContact O-CA 3.46Å; A112-Q551 HydrophobicContact CB-CB 4.39Å; A112-Q551 WeakPolarHBondContact CB-O 3.34Å; A112-N556 HydrophobicContact CB-CB 3.98Å
113	G	96.6	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.			trans	-178	-175.9	179.3	0	0	0	0	0	111.8	M96 P115 Q140 H152 Q551	M96-G113 VanDerWaalsContact SD-O 3.32Å; G113-P115 WeakPolarHBondContact O-CD 3.39Å; G113-Q140 CarbonylContact C-O 3.54Å; G113-Q140 WeakPolarHBondContact CA-O 3.14Å; G113-H152 PolarHBondContact N-NE2 3.49Å; G113-Q551 WeakPolarHBondContact O-CG 3.07Å; G113-Q551 PolarHBondContact O-OE1 2.89Å
114	L	98.3	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-57.5	124.8	177.3	179.9	62.8	0	0	0	109.1	L86 T87 M96 L116 E118 T120 Q140 H152 Y157	L86-L114 HydrophobicContact CD1-CD2 4.22Å; T87-L114 HydrophobicContact CG2-CD1 3.98Å; T87-L114 HydrophobicContact CG2-CD2 4.34Å; M96-L114 HydrophobicContact CG-CD1 4.29Å; L114-L116 PolarHBondContact O-N 2.75Å; L114-E118 HydrophobicContact CD1-CB 4.01Å; L114-E118 HydrophobicContact CD1-CG 4.09Å; L114-E118 HydrophobicContact CG-CB 4.3Å; L114-T120 HydrophobicContact CD2-CG2 3.87Å; L114-Q140 HydrophobicContact CB-CB 3.97Å; L114-Q140 HydrophobicContact CB-CG 4.47Å; L114-Q140 PolarHBondContact N-O 3.39Å; L114-H152 PolarHBondContact O-CE1 3.39Å; L114-H152 PolarHBondContact O-ND1 3.34Å; L114-Y157 HydrophobicContact CB-CE1 3.95Å; L114-Y157 HydrophobicContact CD2-CD1 3.63Å; L114-Y157 HydrophobicContact CD2-CE1 3.69Å; L114-Y157 HydrophobicContact CD2-CG 4.3Å; L114-Y157 HydrophobicContact CG-CD1 4.19Å; L114-Y157 HydrophobicContact CG-CE1 3.73Å; L114-Y157 PolarHBondContact O-OH 2.94Å
115	P	97.7	Very high	96.2	Very high	19 Å²	19	21.2 Å²	21.2	12%	0.123	12%	0.118	C	C	.	.			trans	-61.5	141.2	-179.3	-30.9	40.6	0	0	0	113.1	S94 G113 N117 E118 Q551	S94-P115 WeakPolarHBondContact O-CD 3.48Å; S94-P115 WeakPolarHBondContact O-CG 3.18Å; G113-P115 WeakPolarHBondContact O-CD 3.39Å; P115-N117 WeakPolarHBondContact CB-OD1 3.24Å; P115-N117 PolarHBondContact O-N 3.07Å; P115-N117 VanDerWaalsContact O-N 3.12Å; P115-E118 WeakPolarHBondContact O-CB 3.19Å; P115-E118 PolarHBondContact O-N 3.46Å; P115-Q551 HydrophobicContact CG-CG 3.98Å
116	L	96.3	Very high	96.3	Very high	108 Å²	108	25.5 Å²	25.5	57%	0.565	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.2	-178.3	-73.9	175.7	0	0	0	114.3	L114 E118 C151 N156 Y157	L114-L116 PolarHBondContact O-N 2.75Å; L116-E118 VanDerWaalsContact C-N 3.29Å; L116-C151 VanDerWaalsContact CD2-O 3.29Å; L116-C151 WeakPolarHBondContact CD2-O 3.4Å; L116-N156 HydrophobicContact CD2-CB 3.84Å; L116-Y157 HydrophobicContact CD2-CE1 4.41Å
117	N	95.9	Very high	96.6	Very high	109 Å²	109	30.1 Å²	30.1	58%	0.583	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.7	175.9	70.4	-19.5	0	0	0	112.9	P115 R422	P115-N117 WeakPolarHBondContact CB-OD1 3.24Å; P115-N117 PolarHBondContact O-N 3.07Å; P115-N117 VanDerWaalsContact O-N 3.12Å; N117-R422 PolarHBondContact O-NH1 3.04Å; N117-R422 PolarHBondContact O-NH2 2.75Å
118	E	98.1	Very high	96.8	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.061	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-76.5	140.3	176.4	-73.9	-63.9	175.4	0	0	111.7	T87 R89 S94 L114 P115 L116 R422	T87-E118 HydrophobicContact CG2-CB 3.85Å; T87-E118 HydrophobicContact CG2-CG 4.3Å; R89-E118 WeakPolarHBondContact CD-OE2 3.34Å; R89-E118 IonicContact CZ-OE1 2.82Å; R89-E118 IonicContact CZ-OE2 3.32Å; R89-E118 IonicContact NE-OE1 3.84Å; R89-E118 PolarHBondContact NE-OE1 3.41Å; R89-E118 VanDerWaalsContact NE-OE1 3.1Å; R89-E118 IonicContact NE-OE2 3Å; R89-E118 PolarHBondContact NE-OE2 3.32Å; R89-E118 IonicContact NH2-OE1 2.75Å; R89-E118 PolarHBondContact NH2-OE1 3.4Å; S94-E118 WeakPolarHBondContact CA-OE1 3.35Å; S94-E118 WeakPolarHBondContact CB-OE1 3.45Å; L114-E118 HydrophobicContact CD1-CB 4.01Å; L114-E118 HydrophobicContact CD1-CG 4.09Å; L114-E118 HydrophobicContact CG-CB 4.3Å; P115-E118 WeakPolarHBondContact O-CB 3.19Å; P115-E118 PolarHBondContact O-N 3.46Å; L116-E118 VanDerWaalsContact C-N 3.29Å; E118-R422 IonicContact OE2-NH1 2.67Å; E118-R422 PolarHBondContact OE2-NH1 2.6Å
119	T	98	Very high	96.9	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.19	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-100.9	119.7	177.9	-62.4	0	0	0	0	109	L124 P419	T119-L124 HydrophobicContact CG2-CD1 4.29Å; T119-L124 HydrophobicContact CG2-CD2 3.79Å; T119-L124 HydrophobicContact CG2-CG 3.74Å; T119-P419 HydrophobicContact CG2-CG 3.99Å
120	T	98.8	Very high	97.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-93	163	177.6	66.5	0	0	0	0	112	L86 L114 A122 A123 L124 Y157	L86-T120 HydrophobicContact CB-CG2 3.99Å; L86-T120 CarbonylContact O-C 3.35Å; L86-T120 WeakPolarHBondContact O-CA 3.46Å; L114-T120 HydrophobicContact CD2-CG2 3.87Å; T120-A122 PolarHBondContact O-N 2.96Å; T120-A122 PolarHBondContact OG1-N 3.14Å; T120-A123 PolarHBondContact O-N 2.79Å; T120-A123 PolarHBondContact OG1-N 2.96Å; T120-A123 VanDerWaalsContact OG1-N 3.11Å; T120-L124 PolarHBondContact O-N 3.07Å; T120-Y157 HydrophobicContact CG2-CD1 4.04Å; T120-Y157 HydrophobicContact CG2-CG 4.3Å; T120-Y157 PolarHBondContact OG1-O 2.63Å
121	F	98.7	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-32	172	57	-111.9	0	0	0	112.4	L34 F85 L86 L124 L125 F159 L284 F286 L407 V410	L34-F121 HydrophobicContact CD1-CD1 4.49Å; L34-F121 HydrophobicContact CD1-CD2 4.04Å; L34-F121 HydrophobicContact CD1-CE1 4.05Å; L34-F121 HydrophobicContact CD1-CE2 3.61Å; L34-F121 HydrophobicContact CD1-CG 4.5Å; L34-F121 HydrophobicContact CD1-CZ 3.62Å; F85-F121 AromaticContact CD1-CE1 3.57Å; F85-F121 HydrophobicContact CD1-CE1 3.57Å; F85-F121 HydrophobicContact CD1-CZ 4.03Å; F85-F121 AromaticContact CE1-CE1 3.51Å; F85-F121 HydrophobicContact CE1-CE1 3.51Å; F85-F121 AromaticContact CE1-CZ 3.67Å; F85-F121 HydrophobicContact CE1-CZ 3.67Å; F85-F121 HydrophobicContact CG-CE1 4.37Å; F85-F121 HydrophobicContact CZ-CE1 4.29Å; F85-F121 WeakPolarHBondContact O-CD1 3.3Å; F85-F121 WeakPolarHBondContact O-CE1 3.3Å; L86-F121 HydrophobicContact CB-CE1 4.45Å; L86-F121 HydrophobicContact CD2-CD1 4.49Å; L86-F121 HydrophobicContact CD2-CE1 3.76Å; L86-F121 HydrophobicContact CD2-CE2 4.31Å; L86-F121 HydrophobicContact CD2-CZ 3.63Å; L86-F121 HydrophobicContact CG-CE1 4.32Å; L86-F121 WeakPolarHBondContact O-CD1 3.48Å; L86-F121 PolarHBondContact O-N 2.9Å; F121-L124 PolarHBondContact O-N 3.07Å; F121-L125 WeakPolarHBondContact O-CB 3.27Å; F121-L125 VanDerWaalsContact O-CG 3.28Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.48Å; F121-F159 HydrophobicContact CE2-CZ 4.1Å; F121-L284 HydrophobicContact CD2-CD1 4.39Å; F121-L284 HydrophobicContact CD2-CD2 3.8Å; F121-L284 HydrophobicContact CE2-CD1 4.31Å; F121-L284 HydrophobicContact CE2-CD2 3.9Å; F121-F286 HydrophobicContact CE2-CD1 4.5Å; F121-F286 AromaticContact CZ-CD1 3.99Å; F121-F286 HydrophobicContact CZ-CD1 3.99Å; F121-F286 HydrophobicContact CZ-CE1 4.4Å; F121-F286 HydrophobicContact CZ-CG 4.26Å; F121-L407 HydrophobicContact CB-CB 4.45Å; F121-L407 HydrophobicContact CB-CD1 4.34Å; F121-V410 HydrophobicContact CB-CG2 3.61Å; F121-V410 HydrophobicContact CG-CG2 4.5Å
122	A	98.8	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-43.1	178.1	0	0	0	0	0	110.9	T120 L124 L125 K126 Y157 F159 L284	T120-A122 PolarHBondContact O-N 2.96Å; T120-A122 PolarHBondContact OG1-N 3.14Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.05Å; A122-L125 PolarHBondContact O-N 3.36Å; A122-K126 VanDerWaalsContact O-CB 3.25Å; A122-K126 WeakPolarHBondContact O-CB 3.46Å; A122-K126 PolarHBondContact O-N 3.13Å; A122-Y157 WeakPolarHBondContact CB-O 3.14Å; A122-F159 HydrophobicContact CB-CD1 3.88Å; A122-F159 HydrophobicContact CB-CD2 4.05Å; A122-F159 HydrophobicContact CB-CE1 3.58Å; A122-F159 HydrophobicContact CB-CE2 3.76Å; A122-F159 HydrophobicContact CB-CG 4.11Å; A122-F159 HydrophobicContact CB-CZ 3.52Å; A122-L284 HydrophobicContact CB-CD2 3.73Å
123	A	98.4	Very high	97.8	Very high	25 Å²	25	33.7 Å²	33.7	21%	0.207	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-37	173.9	0	0	0	0	0	112.6	T120 K127 Y157	T120-A123 PolarHBondContact O-N 2.79Å; T120-A123 PolarHBondContact OG1-N 2.96Å; T120-A123 VanDerWaalsContact OG1-N 3.11Å; A123-K127 WeakPolarHBondContact O-CG 3.39Å; A123-K127 PolarHBondContact O-N 2.53Å; A123-Y157 PolarHBondContact N-O 2.99Å
124	L	98	Very high	97.9	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-49.2	174.3	-70.5	172.2	0	0	0	111.8	T119 T120 F121 A122 K127 Q128 L407	T119-L124 HydrophobicContact CG2-CD1 4.29Å; T119-L124 HydrophobicContact CG2-CD2 3.79Å; T119-L124 HydrophobicContact CG2-CG 3.74Å; T120-L124 PolarHBondContact O-N 3.07Å; F121-L124 PolarHBondContact O-N 3.07Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.05Å; L124-K127 WeakPolarHBondContact O-CB 3.35Å; L124-K127 PolarHBondContact O-N 2.81Å; L124-Q128 PolarHBondContact O-N 3.07Å; L124-L407 HydrophobicContact CD1-CD1 3.8Å; L124-L407 HydrophobicContact CD1-CD2 4.18Å; L124-L407 HydrophobicContact CD1-CG 3.87Å
125	L	98.4	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-38	-178.5	-72.5	169.5	0	0	0	112.1	I32 F121 A122 K127 Q128 G129 Y130 L284 V410 S414	I32-L125 HydrophobicContact CD1-CD1 3.75Å; I32-L125 HydrophobicContact CD1-CD2 3.68Å; I32-L125 HydrophobicContact CD1-CG 4.4Å; F121-L125 WeakPolarHBondContact O-CB 3.27Å; F121-L125 VanDerWaalsContact O-CG 3.28Å; F121-L125 WeakPolarHBondContact O-CG 3.39Å; F121-L125 PolarHBondContact O-N 3.48Å; A122-L125 PolarHBondContact O-N 3.36Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.02Å; L125-Q128 CarbonylContact O-C 3.57Å; L125-Q128 WeakPolarHBondContact O-CA 3.44Å; L125-Q128 WeakPolarHBondContact O-CB 3.35Å; L125-Q128 PolarHBondContact O-N 3.21Å; L125-G129 PolarHBondContact O-N 3.11Å; L125-Y130 HydrophobicContact CB-CD2 4.24Å; L125-Y130 HydrophobicContact CB-CG 4.02Å; L125-Y130 HydrophobicContact CD2-CD1 4.31Å; L125-Y130 HydrophobicContact CD2-CD2 3.97Å; L125-Y130 HydrophobicContact CD2-CE1 4.24Å; L125-Y130 HydrophobicContact CD2-CE2 3.88Å; L125-Y130 HydrophobicContact CD2-CG 4.21Å; L125-Y130 WeakPolarHBondContact O-CB 3.44Å; L125-Y130 WeakPolarHBondContact O-CD2 3.49Å; L125-Y130 PolarHBondContact O-N 3.35Å; L125-Y130 VanDerWaalsContact O-N 3.14Å; L125-L284 HydrophobicContact CD1-CB 4.11Å; L125-L284 HydrophobicContact CD1-CD1 3.91Å; L125-L284 HydrophobicContact CD1-CD2 3.85Å; L125-L284 HydrophobicContact CD1-CG 4.16Å; L125-V410 HydrophobicContact CD1-CB 4.18Å; L125-V410 HydrophobicContact CD1-CG2 4.07Å; L125-V410 HydrophobicContact CG-CG2 4.45Å; L125-S414 WeakPolarHBondContact CD2-OG 3.37Å
126	K	97.8	Very high	98	Very high	93 Å²	93	32.8 Å²	32.8	40%	0.404	18%	0.179	S	C	.	.	H	α-helix	trans	-58	-39.2	173.3	-176.2	167.3	176	166	0	111.9	A122 Q128 G129 T132 G158 D160	A122-K126 VanDerWaalsContact O-CB 3.25Å; A122-K126 WeakPolarHBondContact O-CB 3.46Å; A122-K126 PolarHBondContact O-N 3.13Å; K126-Q128 PolarHBondContact O-N 2.64Å; K126-G129 PolarHBondContact O-N 2.96Å; K126-G129 VanDerWaalsContact O-N 3.1Å; K126-T132 HydrophobicContact CB-CG2 4.12Å; K126-G158 WeakPolarHBondContact CD-O 3.2Å; K126-D160 WeakPolarHBondContact CE-OD1 3.44Å; K126-D160 IonicContact NZ-OD1 3.96Å; K126-D160 PolarHBondContact NZ-OD1 2.94Å
127	K	96.6	Very high	98.1	Very high	162 Å²	162	27.7 Å²	27.7	70%	0.704	15%	0.152	S	C	*	.	H	α-helix	trans	-65.3	-24.8	172.7	-69.9	175.8	-176.7	179.2	0	113.2	A123 L124 L125 G129	A123-K127 WeakPolarHBondContact O-CG 3.39Å; A123-K127 PolarHBondContact O-N 2.53Å; L124-K127 WeakPolarHBondContact O-CB 3.35Å; L124-K127 PolarHBondContact O-N 2.81Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.02Å; K127-G129 VanDerWaalsContact C-N 3.27Å
128	Q	96.8	Very high	98.3	Very high	57 Å²	57	22.6 Å²	22.6	27%	0.266	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.6	174.5	-60.9	-52.2	-43.4	0	0	113.6	K29 L124 L125 K126 Y130	K29-Q128 PolarHBondContact NZ-O 3.26Å; L124-Q128 PolarHBondContact O-N 3.07Å; L125-Q128 CarbonylContact O-C 3.57Å; L125-Q128 WeakPolarHBondContact O-CA 3.44Å; L125-Q128 WeakPolarHBondContact O-CB 3.35Å; L125-Q128 PolarHBondContact O-N 3.21Å; K126-Q128 PolarHBondContact O-N 2.64Å; Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 HydrophobicContact CB-CE2 4.16Å
129	G	96.5	Very high	98.3	Very high	54 Å²	54	22.1 Å²	22.1	56%	0.557	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	17.6	177.8	0	0	0	0	0	114.4	L125 K126 K127	L125-G129 PolarHBondContact O-N 3.11Å; K126-G129 PolarHBondContact O-N 2.96Å; K126-G129 VanDerWaalsContact O-N 3.1Å; K127-G129 VanDerWaalsContact C-N 3.27Å
130	Y	98.4	Very high	98.3	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.02	11%	0.113	C	C	.	.			trans	-76.8	141.2	173.8	-77.6	-114.3	0	0	0	111.2	K29 P30 I32 L125 Q128 P282 F283	K29-Y130 HydrophobicContact CB-CE2 4.27Å; K29-Y130 WeakPolarHBondContact CB-OH 3.26Å; K29-Y130 HydrophobicContact CD-CE2 3.96Å; K29-Y130 HydrophobicContact CG-CE2 4.26Å; P30-Y130 WeakPolarHBondContact O-CE1 3.35Å; P30-Y130 PolarHBondContact O-OH 3.23Å; I32-Y130 HydrophobicContact CD1-CE1 3.85Å; I32-Y130 HydrophobicContact CG1-CE1 4.15Å; L125-Y130 HydrophobicContact CB-CD2 4.24Å; L125-Y130 HydrophobicContact CB-CG 4.02Å; L125-Y130 HydrophobicContact CD2-CD1 4.31Å; L125-Y130 HydrophobicContact CD2-CD2 3.97Å; L125-Y130 HydrophobicContact CD2-CE1 4.24Å; L125-Y130 HydrophobicContact CD2-CE2 3.88Å; L125-Y130 HydrophobicContact CD2-CG 4.21Å; L125-Y130 WeakPolarHBondContact O-CB 3.44Å; L125-Y130 WeakPolarHBondContact O-CD2 3.49Å; L125-Y130 PolarHBondContact O-N 3.35Å; L125-Y130 VanDerWaalsContact O-N 3.14Å; Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 HydrophobicContact CB-CE2 4.16Å; Y130-P282 WeakPolarHBondContact CA-O 3.36Å; Y130-P282 HydrophobicContact CD1-CB 3.99Å; Y130-P282 HydrophobicContact CD2-CB 4.41Å; Y130-P282 HydrophobicContact CE1-CB 3.8Å; Y130-P282 HydrophobicContact CE2-CB 4.24Å; Y130-P282 HydrophobicContact CG-CB 4.28Å; Y130-F283 VanDerWaalsContact CD1-C 3.49Å
131	S	98.6	Very high	98.2	Very high	18 Å²	18	20.7 Å²	20.7	13%	0.126	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.2	159.7	-54	0	0	0	0	109.5	H278 E281 P282 F283 L284	S131-H278 WeakPolarHBondContact CB-ND1 3.49Å; S131-H278 PolarHBondContact OG-ND1 2.77Å; S131-E281 PolarHBondContact OG-OE1 2.9Å; S131-P282 PolarHBondContact N-O 3.25Å; S131-P282 VanDerWaalsContact N-O 3.11Å; S131-F283 CarbonylContact O-C 3.56Å; S131-F283 VanDerWaalsContact O-CA 3.24Å; S131-F283 WeakPolarHBondContact O-CA 3.25Å; S131-L284 PolarHBondContact O-N 2.77Å
132	T	98.9	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	-171.6	57.9	0	0	0	0	112.4	K126 G158 F159 D160 Y161 L284	K126-T132 HydrophobicContact CB-CG2 4.12Å; T132-G158 WeakPolarHBondContact CB-O 3.36Å; T132-G158 PolarHBondContact OG1-O 2.96Å; T132-F159 VanDerWaalsContact OG1-CA 3.24Å; T132-F159 WeakPolarHBondContact OG1-CA 3.43Å; T132-D160 PolarHBondContact N-OD2 2.69Å; T132-D160 WeakPolarHBondContact O-CA 3.41Å; T132-D160 WeakPolarHBondContact O-CB 3.25Å; T132-D160 PolarHBondContact O-N 2.96Å; T132-D160 PolarHBondContact OG1-N 3.26Å; T132-D160 PolarHBondContact OG1-OD2 2.7Å; T132-Y161 PolarHBondContact O-N 3.36Å; T132-L284 HydrophobicContact CG2-CB 4.05Å; T132-L284 HydrophobicContact CG2-CD2 3.98Å
133	G	98.8	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.3	178.7	0	0	0	0	0	112.3	Y161 L284 F286	G133-Y161 WeakPolarHBondContact CA-O 3.27Å; G133-L284 PolarHBondContact N-O 3.25Å; G133-F286 PolarHBondContact O-N 3.05Å
134	L	98.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.5	165.9	171	58.8	0	0	0	109.1	W138 P154 F159 Y161 Y162 Y163 F286	L134-W138 HydrophobicContact CD2-CB 4.4Å; L134-W138 HydrophobicContact CD2-CD2 4.16Å; L134-W138 HydrophobicContact CD2-CE3 3.49Å; L134-W138 VanDerWaalsContact CD2-CE3 3.49Å; L134-W138 HydrophobicContact CD2-CZ3 4.1Å; L134-P154 HydrophobicContact CD2-CB 3.89Å; L134-P154 HydrophobicContact CD2-CG 3.68Å; L134-F159 HydrophobicContact CB-CD1 3.68Å; L134-F159 HydrophobicContact CB-CD2 4.27Å; L134-F159 HydrophobicContact CB-CE1 3.84Å; L134-F159 HydrophobicContact CB-CE2 4.41Å; L134-F159 HydrophobicContact CB-CG 3.91Å; L134-F159 HydrophobicContact CB-CZ 4.21Å; L134-F159 HydrophobicContact CD2-CD2 4.47Å; L134-F159 HydrophobicContact CD2-CE2 4.36Å; L134-Y161 PolarHBondContact N-O 2.94Å; L134-Y162 HydrophobicContact CB-CD2 4Å; L134-Y162 HydrophobicContact CD2-CD2 3.77Å; L134-Y162 HydrophobicContact CD2-CE2 3.85Å; L134-Y162 HydrophobicContact CG-CD2 3.71Å; L134-Y162 HydrophobicContact CG-CE2 3.96Å; L134-Y162 VanDerWaalsContact O-CA 3.3Å; L134-Y162 WeakPolarHBondContact O-CA 3.11Å; L134-Y162 WeakPolarHBondContact O-CD2 3.31Å; L134-Y163 PolarHBondContact O-N 3.27Å; L134-Y163 VanDerWaalsContact O-N 3.09Å; L134-F286 WeakPolarHBondContact CA-O 3.21Å; L134-F286 HydrophobicContact CD1-CB 4.13Å; L134-F286 HydrophobicContact CD1-CD1 3.41Å; L134-F286 VanDerWaalsContact CD1-CD1 3.41Å; L134-F286 HydrophobicContact CD1-CE1 3.91Å; L134-F286 HydrophobicContact CD1-CG 3.86Å; L134-F286 WeakPolarHBondContact CD1-O 3.29Å
135	I	98.9	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.4	176.1	-61.1	178.7	0	0	0	109.7	Y163 M267 E270 A271 F274 L285 F286 F287 S288	I135-Y163 CarbonylContact C-O 3.56Å; I135-Y163 WeakPolarHBondContact CA-O 3.38Å; I135-Y163 HydrophobicContact CG2-CD1 4.33Å; I135-M267 HydrophobicContact CG2-CB 3.82Å; I135-M267 HydrophobicContact CG2-CG 4.08Å; I135-M267 WeakPolarHBondContact CG2-O 3.44Å; I135-E270 VanDerWaalsContact CD1-C 3.43Å; I135-E270 HydrophobicContact CD1-CB 3.94Å; I135-E270 HydrophobicContact CG2-CB 4.38Å; I135-A271 HydrophobicContact CD1-CB 3.82Å; I135-A271 VanDerWaalsContact CD1-N 3.29Å; I135-F274 HydrophobicContact CD1-CB 4.45Å; I135-L285 HydrophobicContact CD1-CD1 3.79Å; I135-L285 HydrophobicContact CG1-CD1 4.1Å; I135-F286 PolarHBondContact N-O 3.03Å; I135-F287 HydrophobicContact CB-CD2 3.98Å; I135-F287 HydrophobicContact CB-CE2 4.28Å; I135-F287 HydrophobicContact CG2-CD2 3.92Å; I135-F287 HydrophobicContact CG2-CE2 3.69Å; I135-S288 PolarHBondContact O-N 3.47Å
136	G	98.6	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.9	-135.5	176	0	0	0	0	0	114.6	Y163 G164 M165 S288	G136-Y163 PolarHBondContact N-O 3.28Å; G136-G164 CarbonylContact O-C 3.58Å; G136-G164 WeakPolarHBondContact O-CA 3.39Å; G136-M165 PolarHBondContact O-N 3.29Å; G136-S288 CarbonylContact C-O 3.57Å; G136-S288 WeakPolarHBondContact CA-O 3.33Å
137	K	98.8	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.			trans	-72.2	129.5	-170.7	-179.5	169	169.6	-179.6	0	112.6	D38 C78 H139 F167 T168 S288 L290	D38-K137 IonicContact OD1-NZ 3.51Å; D38-K137 PolarHBondContact OD1-NZ 2.73Å; D38-K137 WeakPolarHBondContact OD2-CD 3.47Å; D38-K137 WeakPolarHBondContact OD2-CE 3.23Å; D38-K137 IonicContact OD2-NZ 3.89Å; D38-K137 PolarHBondContact OD2-NZ 2.76Å; C78-K137 PolarHBondContact SG-NZ 3.41Å; C78-K137 VanDerWaalsContact SG-NZ 3.38Å; K137-H139 HydrophobicContact CD-CB 4.47Å; K137-H139 WeakPolarHBondContact CE-ND1 3.4Å; K137-H139 HydrophobicContact CG-CB 4.1Å; K137-F167 WeakPolarHBondContact CG-O 3.4Å; K137-T168 VanDerWaalsContact CE-OG1 3.32Å; K137-T168 WeakPolarHBondContact CE-OG1 3.43Å; K137-T168 PolarHBondContact NZ-OG1 3.34Å; K137-S288 PolarHBondContact N-O 2.97Å; K137-S288 VanDerWaalsContact O-CB 3.29Å; K137-S288 WeakPolarHBondContact O-CB 3.21Å; K137-S288 PolarHBondContact O-OG 3.27Å; K137-L290 HydrophobicContact CB-CD2 4Å
138	W	98.6	Very high	97	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.011	15%	0.154	C	C	.	.			trans	-97.4	-66.3	172.2	178.7	-132.2	0	0	0	113	L86 L134 Q140 G141 H152 P154 Y157 F159 M165	L86-W138 HydrophobicContact CD1-CE3 4.41Å; L86-W138 HydrophobicContact CD1-CH2 3.57Å; L86-W138 HydrophobicContact CD1-CZ3 3.41Å; L86-W138 VanDerWaalsContact CD1-CZ3 3.41Å; L86-W138 HydrophobicContact CD2-CH2 4.46Å; L86-W138 HydrophobicContact CD2-CZ3 4.04Å; L86-W138 HydrophobicContact CG-CZ3 4.38Å; L134-W138 HydrophobicContact CD2-CB 4.4Å; L134-W138 HydrophobicContact CD2-CD2 4.16Å; L134-W138 HydrophobicContact CD2-CE3 3.49Å; L134-W138 VanDerWaalsContact CD2-CE3 3.49Å; L134-W138 HydrophobicContact CD2-CZ3 4.1Å; W138-Q140 VanDerWaalsContact C-N 3.31Å; W138-Q140 HydrophobicContact CD2-CB 3.99Å; W138-Q140 HydrophobicContact CD2-CG 4.01Å; W138-Q140 VanDerWaalsContact CE2-CB 3.46Å; W138-Q140 HydrophobicContact CE3-CG 4.11Å; W138-Q140 HydrophobicContact CG-CB 4.49Å; W138-Q140 HydrophobicContact CH2-CB 4.19Å; W138-Q140 HydrophobicContact CH2-CG 3.95Å; W138-Q140 HydrophobicContact CZ2-CB 3.56Å; W138-Q140 HydrophobicContact CZ2-CG 3.84Å; W138-Q140 HydrophobicContact CZ3-CG 4.09Å; W138-Q140 PolarHBondContact O-N 3.4Å; W138-G141 PolarHBondContact NE1-O 2.87Å; W138-H152 PolarHBondContact NE1-O 3.17Å; W138-P154 HydrophobicContact CB-CG 4.36Å; W138-P154 HydrophobicContact CD2-CG 3.75Å; W138-P154 HydrophobicContact CE3-CG 4.22Å; W138-P154 HydrophobicContact CG-CG 3.82Å; W138-Y157 AromaticContact CH2-CD2 3.96Å; W138-Y157 HydrophobicContact CH2-CD2 3.96Å; W138-Y157 HydrophobicContact CH2-CG 4.14Å; W138-Y157 AromaticContact CZ2-CD2 3.48Å; W138-Y157 HydrophobicContact CZ2-CD2 3.48Å; W138-Y157 VanDerWaalsContact CZ2-CD2 3.48Å; W138-Y157 AromaticContact CZ2-CE2 3.84Å; W138-Y157 HydrophobicContact CZ2-CE2 3.84Å; W138-Y157 HydrophobicContact CZ2-CG 4.09Å; W138-F159 HydrophobicContact CH2-CE2 4.49Å; W138-F159 HydrophobicContact CZ3-CE2 4.09Å; W138-M165 PolarHBondContact N-O 3.11Å
139	H	98.3	Very high	97	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.014	15%	0.154	C	C	.	.			trans	60.6	29.4	175.7	-153.3	-173.4	0	0	0	116	C78 S79 V105 K137 P166 F167	C78-H139 WeakPolarHBondContact CB-ND1 3.43Å; S79-H139 WeakPolarHBondContact CB-O 3.25Å; S79-H139 PolarHBondContact OG-CD2 3.33Å; S79-H139 VanDerWaalsContact OG-CD2 3.31Å; S79-H139 PolarHBondContact OG-NE2 3.18Å; S79-H139 PolarHBondContact OG-O 3.34Å; S79-H139 VanDerWaalsContact OG-O 3.09Å; V105-H139 PolarHBondContact O-NE2 3.2Å; K137-H139 HydrophobicContact CD-CB 4.47Å; K137-H139 WeakPolarHBondContact CE-ND1 3.4Å; K137-H139 HydrophobicContact CG-CB 4.1Å; H139-P166 PolarHBondContact N-O 2.92Å; H139-F167 WeakPolarHBondContact CB-O 3.43Å; H139-F167 AromaticContact CD2-CD2 3.99Å; H139-F167 AromaticContact NE2-CE2 3.89Å
140	Q	98.3	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-118.6	29.2	175.7	-55.1	-65.3	-55.6	0	0	113	S79 S83 L86 G113 L114 W138	S79-Q140 PolarHBondContact O-NE2 3.11Å; S83-Q140 VanDerWaalsContact CB-OE1 3.24Å; L86-Q140 HydrophobicContact CD1-CG 3.88Å; G113-Q140 CarbonylContact C-O 3.54Å; G113-Q140 WeakPolarHBondContact CA-O 3.14Å; L114-Q140 HydrophobicContact CB-CB 3.97Å; L114-Q140 HydrophobicContact CB-CG 4.47Å; L114-Q140 PolarHBondContact N-O 3.39Å; W138-Q140 VanDerWaalsContact C-N 3.31Å; W138-Q140 HydrophobicContact CD2-CB 3.99Å; W138-Q140 HydrophobicContact CD2-CG 4.01Å; W138-Q140 VanDerWaalsContact CE2-CB 3.46Å; W138-Q140 HydrophobicContact CE3-CG 4.11Å; W138-Q140 HydrophobicContact CG-CB 4.49Å; W138-Q140 HydrophobicContact CH2-CB 4.19Å; W138-Q140 HydrophobicContact CH2-CG 3.95Å; W138-Q140 HydrophobicContact CZ2-CB 3.56Å; W138-Q140 HydrophobicContact CZ2-CG 3.84Å; W138-Q140 HydrophobicContact CZ3-CG 4.09Å; W138-Q140 PolarHBondContact O-N 3.4Å
141	G	97	Very high	96.9	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	14%	0.137	C	C	.	.			trans	90.5	173.1	-177.4	0	0	0	0	0	113.2	A112 W138 H152	A112-G141 WeakPolarHBondContact O-CA 3.46Å; W138-G141 PolarHBondContact NE1-O 2.87Å; G141-H152 VanDerWaalsContact C-CB 3.44Å
142	L	97.4	Very high	96.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.134	C	C	.	.			trans	-137.1	-63.7	176.1	-176.4	62.2	0	0	0	112.2	L108 H150 C151 H152 H153 P166 M248 P564	L108-L142 HydrophobicContact CD2-CB 3.98Å; L108-L142 HydrophobicContact CD2-CD2 4.03Å; L142-H150 CarbonylContact O-C 3.54Å; L142-H150 VanDerWaalsContact O-CA 3.24Å; L142-H150 WeakPolarHBondContact O-CA 3.35Å; L142-C151 PolarHBondContact O-N 3.43Å; L142-C151 VanDerWaalsContact O-N 3.16Å; L142-H152 PolarHBondContact O-N 2.89Å; L142-H153 HydrophobicContact CD1-CB 4.44Å; L142-P166 HydrophobicContact CD1-CB 4.16Å; L142-P166 HydrophobicContact CD2-CB 4.4Å; L142-P166 HydrophobicContact CD2-CG 4.37Å; L142-M248 HydrophobicContact CD1-CE 4.37Å; L142-M248 HydrophobicContact CD1-SD 4.11Å; L142-M248 HydrophobicContact CD2-SD 4.38Å; L142-P564 HydrophobicContact CD2-CB 4Å; L142-P564 HydrophobicContact CD2-CG 3.86Å
143	N	96.9	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.			trans	-115.7	156.7	-171.7	-67.8	-41.8	0	0	0	112.4	P111 S146 R147 D149 H150 L562	P111-N143 WeakPolarHBondContact CA-O 3.48Å; N143-S146 WeakPolarHBondContact CB-O 3.5Å; N143-S146 PolarHBondContact OD1-O 2.92Å; N143-R147 PolarHBondContact ND2-O 3.39Å; N143-D149 VanDerWaalsContact CA-OD1 3.29Å; N143-D149 WeakPolarHBondContact CA-OD1 3.37Å; N143-H150 WeakPolarHBondContact OD1-CA 3.08Å; N143-H150 PolarHBondContact OD1-CD2 3.26Å; N143-H150 PolarHBondContact OD1-N 3.35Å; N143-H150 VanDerWaalsContact OD1-N 3.11Å; N143-L562 HydrophobicContact CB-CB 4.37Å; N143-L562 HydrophobicContact CB-CD2 4.28Å; N143-L562 PolarHBondContact ND2-O 3.3Å
144	C	94.8	Very high	96.9	Very high	29 Å²	29	24.2 Å²	24.2	20%	0.196	13%	0.134	C	C	.	.	S	Bend	trans	-113.9	-58.9	178.6	-75	0	0	0	0	112.7	P111 D149 C151 L562	P111-C144 VanDerWaalsContact CB-O 3.29Å; P111-C144 WeakPolarHBondContact CB-O 3.31Å; C144-D149 PolarHBondContact N-OD1 2.97Å; C144-D149 PolarHBondContact N-OD2 2.84Å; C144-C151 VanDerWaalsContact CA-SG 3.55Å; C144-C151 HydrophobicContact CB-CB 3.79Å; C144-C151 WeakPolarHBondContact CB-SG 3.3Å; C144-C151 PolarHBondContact N-SG 3.1Å; C144-C151 WeakPolarHBondContact SG-CB 3.37Å; C144-C151 CovalentContact SG-SG 2.01Å; C144-C151 PolarHBondContact SG-SG 3.11Å; C144-L562 WeakPolarHBondContact O-CD1 3.2Å
145	D	94.4	Very high	96.8	Very high	124 Å²	124	27.6 Å²	27.6	66%	0.663	15%	0.147	S	C	*	.	S	Bend	trans	-117.7	-31.7	-170.2	-66.3	-49.1	0	0	0	112.2	D149 L562	D145-D149 WeakPolarHBondContact CA-OD2 3.39Å; D145-D149 PolarHBondContact N-OD2 2.76Å; D145-L562 WeakPolarHBondContact O-CD2 3.38Å
146	S	94.1	Very high	96.8	Very high	46 Å²	46	31.6 Å²	31.6	32%	0.322	17%	0.168	S	C	.	.	S	Bend	trans	-137.8	154.6	179.1	74.7	0	0	0	0	112	N143 S148 D149	N143-S146 WeakPolarHBondContact CB-O 3.5Å; N143-S146 PolarHBondContact OD1-O 2.92Å; S146-S148 PolarHBondContact O-N 3.21Å; S146-D149 PolarHBondContact N-OD2 3.21Å; S146-D149 VanDerWaalsContact O-CG 3.3Å; S146-D149 PolarHBondContact O-N 2.89Å; S146-D149 WeakPolarHBondContact OG-CB 3.29Å; S146-D149 PolarHBondContact OG-N 3.4Å
147	R	91.8	Very high	96.8	Very high	112 Å²	112	31.9 Å²	31.9	42%	0.423	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.5	178.1	70.5	179.8	90	146.6	3.5	115.8	N143 W561	N143-R147 PolarHBondContact ND2-O 3.39Å; R147-W561 WeakPolarHBondContact CB-O 3.28Å; R147-W561 PolarHBondContact N-O 3.49Å
148	S	92.8	Very high	96.8	Very high	86 Å²	86	32.3 Å²	32.3	60%	0.601	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.9	0.6	-173.4	57.2	0	0	0	0	113.6	S146 H150	S146-S148 PolarHBondContact O-N 3.21Å; S148-H150 VanDerWaalsContact C-N 3.32Å
149	D	95.6	Very high	96.8	Very high	53 Å²	53	32.2 Å²	32.2	28%	0.283	17%	0.174	S	C	.	.			trans	-74.3	-27.3	179.3	63.4	39.3	0	0	0	112.5	N143 C144 D145 S146 C151	N143-D149 VanDerWaalsContact CA-OD1 3.29Å; N143-D149 WeakPolarHBondContact CA-OD1 3.37Å; C144-D149 PolarHBondContact N-OD1 2.97Å; C144-D149 PolarHBondContact N-OD2 2.84Å; D145-D149 WeakPolarHBondContact CA-OD2 3.39Å; D145-D149 PolarHBondContact N-OD2 2.76Å; S146-D149 PolarHBondContact N-OD2 3.21Å; S146-D149 VanDerWaalsContact O-CG 3.3Å; S146-D149 PolarHBondContact O-N 2.89Å; S146-D149 WeakPolarHBondContact OG-CB 3.29Å; S146-D149 PolarHBondContact OG-N 3.4Å; D149-C151 PolarHBondContact O-N 3.48Å; D149-C151 PolarHBondContact OD1-N 3.17Å
150	H	96.9	Very high	96.8	Very high	21 Å²	21	35.3 Å²	35.3	10%	0.097	19%	0.19	C	C	.	.			trans	50.3	34.3	177.6	-67.1	146.5	0	0	0	112.6	L142 N143 S148 H152 H153 N156 H251	L142-H150 CarbonylContact O-C 3.54Å; L142-H150 VanDerWaalsContact O-CA 3.24Å; L142-H150 WeakPolarHBondContact O-CA 3.35Å; N143-H150 WeakPolarHBondContact OD1-CA 3.08Å; N143-H150 PolarHBondContact OD1-CD2 3.26Å; N143-H150 PolarHBondContact OD1-N 3.35Å; N143-H150 VanDerWaalsContact OD1-N 3.11Å; S148-H150 VanDerWaalsContact C-N 3.32Å; H150-H152 PolarHBondContact O-N 3.3Å; H150-H153 HydrophobicContact CB-CB 3.7Å; H150-H153 WeakPolarHBondContact O-CB 3.39Å; H150-H153 PolarHBondContact O-N 3.48Å; H150-N156 PolarHBondContact O-ND2 3.32Å; H150-H251 PolarHBondContact CE1-O 3.41Å; H150-H251 AromaticContact CG-CD2 3.96Å; H150-H251 AromaticContact ND1-CD2 3.43Å; H150-H251 PolarHBondContact ND1-CD2 2.78Å; H150-H251 AromaticContact ND1-CG 3.92Å
151	C	97.1	Very high	96.8	Very high	18 Å²	18	37.3 Å²	37.3	12%	0.122	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.7	-173.4	68.8	0	0	0	0	113	L116 L142 C144 D149 N156	L116-C151 VanDerWaalsContact CD2-O 3.29Å; L116-C151 WeakPolarHBondContact CD2-O 3.4Å; L142-C151 PolarHBondContact O-N 3.43Å; L142-C151 VanDerWaalsContact O-N 3.16Å; C144-C151 VanDerWaalsContact CA-SG 3.55Å; C144-C151 HydrophobicContact CB-CB 3.79Å; C144-C151 WeakPolarHBondContact CB-SG 3.3Å; C144-C151 PolarHBondContact N-SG 3.1Å; C144-C151 WeakPolarHBondContact SG-CB 3.37Å; C144-C151 CovalentContact SG-SG 2.01Å; C144-C151 PolarHBondContact SG-SG 3.11Å; D149-C151 PolarHBondContact O-N 3.48Å; D149-C151 PolarHBondContact OD1-N 3.17Å; C151-N156 PolarHBondContact O-ND2 2.71Å
152	H	98	Very high	96.9	Very high	11 Å²	11	37.2 Å²	37.2	5%	0.051	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	13.7	-179.6	-66.7	-54.1	0	0	0	112.9	G113 L114 W138 G141 L142 H150 Y157	G113-H152 PolarHBondContact N-NE2 3.49Å; L114-H152 PolarHBondContact O-CE1 3.39Å; L114-H152 PolarHBondContact O-ND1 3.34Å; W138-H152 PolarHBondContact NE1-O 3.17Å; G141-H152 VanDerWaalsContact C-CB 3.44Å; L142-H152 PolarHBondContact O-N 2.89Å; H150-H152 PolarHBondContact O-N 3.3Å; H152-Y157 WeakPolarHBondContact CA-OH 3.08Å; H152-Y157 PolarHBondContact ND1-OH 3.3Å; H152-Y157 WeakPolarHBondContact O-CE2 3.47Å
153	H	98.5	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-69.5	146.5	177.4	-176.9	-92.6	0	0	0	112.6	L142 H150 Y155 N156 Y157 Y162 G250 H251	L142-H153 HydrophobicContact CD1-CB 4.44Å; H150-H153 HydrophobicContact CB-CB 3.7Å; H150-H153 WeakPolarHBondContact O-CB 3.39Å; H150-H153 PolarHBondContact O-N 3.48Å; H153-Y155 AromaticContact CE1-CD1 3.71Å; H153-Y155 AromaticContact CE1-CD2 3.71Å; H153-Y155 AromaticContact CE1-CG 3.51Å; H153-Y155 AromaticContact ND1-CD1 4Å; H153-Y155 AromaticContact ND1-CD2 3.88Å; H153-Y155 AromaticContact ND1-CG 3.49Å; H153-Y155 PolarHBondContact ND1-N 2.88Å; H153-Y155 PolarHBondContact O-N 2.82Å; H153-N156 WeakPolarHBondContact O-CB 3.42Å; H153-N156 PolarHBondContact O-N 2.85Å; H153-Y157 VanDerWaalsContact O-CD2 3.26Å; H153-Y157 WeakPolarHBondContact O-CD2 3.11Å; H153-Y157 WeakPolarHBondContact O-CE2 3.36Å; H153-Y162 AromaticContact NE2-CD1 3.42Å; H153-Y162 WeakPolarHBondContact NE2-CD1 3.48Å; H153-G250 PolarHBondContact NE2-O 2.68Å; H153-H251 AromaticContact CE1-CD2 3.8Å; H153-H251 AromaticContact CG-CD2 3.92Å; H153-H251 AromaticContact ND1-CD2 3.68Å; H153-H251 AromaticContact ND1-NE2 3.64Å
154	P	98.7	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-48.7	-32.3	-178.4	-32.6	37	0	0	0	115.9	L134 W138 N156 Y157 F159 Y162	L134-P154 HydrophobicContact CD2-CB 3.89Å; L134-P154 HydrophobicContact CD2-CG 3.68Å; W138-P154 HydrophobicContact CB-CG 4.36Å; W138-P154 HydrophobicContact CD2-CG 3.75Å; W138-P154 HydrophobicContact CE3-CG 4.22Å; W138-P154 HydrophobicContact CG-CG 3.82Å; P154-N156 PolarHBondContact O-N 3.23Å; P154-Y157 CarbonylContact O-C 3.53Å; P154-Y157 WeakPolarHBondContact O-CA 3.41Å; P154-Y157 PolarHBondContact O-N 2.91Å; P154-F159 HydrophobicContact CB-CB 4.21Å; P154-F159 HydrophobicContact CB-CD2 3.89Å; P154-F159 HydrophobicContact CB-CG 4.36Å; P154-F159 PolarHBondContact O-N 2.65Å; P154-Y162 HydrophobicContact CB-CD2 4.33Å; P154-Y162 HydrophobicContact CB-CG 4.21Å; P154-Y162 HydrophobicContact CG-CD1 4.09Å; P154-Y162 HydrophobicContact CG-CD2 3.83Å; P154-Y162 HydrophobicContact CG-CE1 4.27Å; P154-Y162 HydrophobicContact CG-CE2 4.04Å; P154-Y162 HydrophobicContact CG-CG 3.85Å
155	Y	98.4	Very high	97.2	Very high	70 Å²	70	35.8 Å²	35.8	28%	0.275	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-61.4	-28.1	178.4	-70.6	-3.1	0	0	0	113.9	H153 Y157 F159 D160 G250 H251	H153-Y155 AromaticContact CE1-CD1 3.71Å; H153-Y155 AromaticContact CE1-CD2 3.71Å; H153-Y155 AromaticContact CE1-CG 3.51Å; H153-Y155 AromaticContact ND1-CD1 4Å; H153-Y155 AromaticContact ND1-CD2 3.88Å; H153-Y155 AromaticContact ND1-CG 3.49Å; H153-Y155 PolarHBondContact ND1-N 2.88Å; H153-Y155 PolarHBondContact O-N 2.82Å; Y155-Y157 PolarHBondContact O-N 2.76Å; Y155-F159 WeakPolarHBondContact CA-O 3.47Å; Y155-F159 WeakPolarHBondContact CD1-O 3.33Å; Y155-D160 VanDerWaalsContact CE1-O 3.29Å; Y155-D160 WeakPolarHBondContact CE1-O 3.12Å; Y155-D160 PolarHBondContact OH-O 2.84Å; Y155-G250 VanDerWaalsContact OH-CA 3.3Å; Y155-G250 WeakPolarHBondContact OH-CA 3.46Å; Y155-H251 AromaticContact CD2-CE1 3.34Å; Y155-H251 WeakPolarHBondContact CD2-CE1 3.29Å; Y155-H251 AromaticContact CD2-ND1 3.9Å; Y155-H251 AromaticContact CD2-NE2 3.61Å; Y155-H251 AromaticContact CE2-CE1 3.9Å
156	N	98.3	Very high	97.3	Very high	85 Å²	85	29.9 Å²	29.9	46%	0.455	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-76	-8.2	174.9	-64.6	-54	0	0	0	112.9	L116 H150 C151 H153 P154	L116-N156 HydrophobicContact CD2-CB 3.84Å; H150-N156 PolarHBondContact O-ND2 3.32Å; C151-N156 PolarHBondContact O-ND2 2.71Å; H153-N156 WeakPolarHBondContact O-CB 3.42Å; H153-N156 PolarHBondContact O-N 2.85Å; P154-N156 PolarHBondContact O-N 3.23Å
157	Y	98.5	Very high	97.4	Very high	5 Å²	5	28 Å²	28	2%	0.02	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-116.8	25.4	-179.2	-54.2	-82.5	0	0	0	112.3	L114 L116 T120 A122 A123 W138 H152 H153 P154 Y155	L114-Y157 HydrophobicContact CB-CE1 3.95Å; L114-Y157 HydrophobicContact CD2-CD1 3.63Å; L114-Y157 HydrophobicContact CD2-CE1 3.69Å; L114-Y157 HydrophobicContact CD2-CG 4.3Å; L114-Y157 HydrophobicContact CG-CD1 4.19Å; L114-Y157 HydrophobicContact CG-CE1 3.73Å; L114-Y157 PolarHBondContact O-OH 2.94Å; L116-Y157 HydrophobicContact CD2-CE1 4.41Å; T120-Y157 HydrophobicContact CG2-CD1 4.04Å; T120-Y157 HydrophobicContact CG2-CG 4.3Å; T120-Y157 PolarHBondContact OG1-O 2.63Å; A122-Y157 WeakPolarHBondContact CB-O 3.14Å; A123-Y157 PolarHBondContact N-O 2.99Å; W138-Y157 AromaticContact CH2-CD2 3.96Å; W138-Y157 HydrophobicContact CH2-CD2 3.96Å; W138-Y157 HydrophobicContact CH2-CG 4.14Å; W138-Y157 AromaticContact CZ2-CD2 3.48Å; W138-Y157 HydrophobicContact CZ2-CD2 3.48Å; W138-Y157 VanDerWaalsContact CZ2-CD2 3.48Å; W138-Y157 AromaticContact CZ2-CE2 3.84Å; W138-Y157 HydrophobicContact CZ2-CE2 3.84Å; W138-Y157 HydrophobicContact CZ2-CG 4.09Å; H152-Y157 WeakPolarHBondContact CA-OH 3.08Å; H152-Y157 PolarHBondContact ND1-OH 3.3Å; H152-Y157 WeakPolarHBondContact O-CE2 3.47Å; H153-Y157 VanDerWaalsContact O-CD2 3.26Å; H153-Y157 WeakPolarHBondContact O-CD2 3.11Å; H153-Y157 WeakPolarHBondContact O-CE2 3.36Å; P154-Y157 CarbonylContact O-C 3.53Å; P154-Y157 WeakPolarHBondContact O-CA 3.41Å; P154-Y157 PolarHBondContact O-N 2.91Å; Y155-Y157 PolarHBondContact O-N 2.76Å
158	G	98.3	Very high	97.6	Very high	9 Å²	9	23 Å²	23	9%	0.093	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	11	169	0	0	0	0	0	115.8	K126 T132	K126-G158 WeakPolarHBondContact CD-O 3.2Å; T132-G158 WeakPolarHBondContact CB-O 3.36Å; T132-G158 PolarHBondContact OG1-O 2.96Å
159	F	98.8	Very high	97.7	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.096	C	C	.	.			trans	-83.8	132.5	167.8	-65.9	-76.2	0	0	0	110.8	L86 F121 A122 T132 L134 W138 P154 Y155 L284 F286	L86-F159 HydrophobicContact CD2-CE2 4.24Å; L86-F159 HydrophobicContact CD2-CZ 4.25Å; F121-F159 HydrophobicContact CE2-CZ 4.1Å; A122-F159 HydrophobicContact CB-CD1 3.88Å; A122-F159 HydrophobicContact CB-CD2 4.05Å; A122-F159 HydrophobicContact CB-CE1 3.58Å; A122-F159 HydrophobicContact CB-CE2 3.76Å; A122-F159 HydrophobicContact CB-CG 4.11Å; A122-F159 HydrophobicContact CB-CZ 3.52Å; T132-F159 VanDerWaalsContact OG1-CA 3.24Å; T132-F159 WeakPolarHBondContact OG1-CA 3.43Å; L134-F159 HydrophobicContact CB-CD1 3.68Å; L134-F159 HydrophobicContact CB-CD2 4.27Å; L134-F159 HydrophobicContact CB-CE1 3.84Å; L134-F159 HydrophobicContact CB-CE2 4.41Å; L134-F159 HydrophobicContact CB-CG 3.91Å; L134-F159 HydrophobicContact CB-CZ 4.21Å; L134-F159 HydrophobicContact CD2-CD2 4.47Å; L134-F159 HydrophobicContact CD2-CE2 4.36Å; W138-F159 HydrophobicContact CH2-CE2 4.49Å; W138-F159 HydrophobicContact CZ3-CE2 4.09Å; P154-F159 HydrophobicContact CB-CB 4.21Å; P154-F159 HydrophobicContact CB-CD2 3.89Å; P154-F159 HydrophobicContact CB-CG 4.36Å; P154-F159 PolarHBondContact O-N 2.65Å; Y155-F159 WeakPolarHBondContact CA-O 3.47Å; Y155-F159 WeakPolarHBondContact CD1-O 3.33Å; F159-L284 HydrophobicContact CE1-CD2 4.09Å; F159-F286 HydrophobicContact CE1-CB 4.02Å; F159-F286 HydrophobicContact CE1-CD1 4.45Å; F159-F286 HydrophobicContact CZ-CB 4.33Å; F159-F286 AromaticContact CZ-CD1 3.94Å; F159-F286 HydrophobicContact CZ-CD1 3.94Å
160	D	98.5	Very high	97.5	Very high	68 Å²	68	18.3 Å²	18.3	36%	0.364	9%	0.094	S	C	.	.	S	Bend	trans	-85.1	-32.8	172.9	-63.4	-44.5	0	0	0	111.9	K126 T132 Y155	K126-D160 WeakPolarHBondContact CE-OD1 3.44Å; K126-D160 IonicContact NZ-OD1 3.96Å; K126-D160 PolarHBondContact NZ-OD1 2.94Å; T132-D160 PolarHBondContact N-OD2 2.69Å; T132-D160 WeakPolarHBondContact O-CA 3.41Å; T132-D160 WeakPolarHBondContact O-CB 3.25Å; T132-D160 PolarHBondContact O-N 2.96Å; T132-D160 PolarHBondContact OG1-N 3.26Å; T132-D160 PolarHBondContact OG1-OD2 2.7Å; Y155-D160 VanDerWaalsContact CE1-O 3.29Å; Y155-D160 WeakPolarHBondContact CE1-O 3.12Å; Y155-D160 PolarHBondContact OH-O 2.84Å
161	Y	98.7	Very high	97.1	Very high	42 Å²	42	22.2 Å²	22.2	17%	0.165	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.3	179.6	-171.3	-112.7	0	0	0	111.5	T132 G133 L134 R249 E270 F274	T132-Y161 PolarHBondContact O-N 3.36Å; G133-Y161 WeakPolarHBondContact CA-O 3.27Å; L134-Y161 PolarHBondContact N-O 2.94Å; Y161-R249 HydrophobicContact CE2-CG 4.24Å; Y161-E270 PolarHBondContact OH-OE1 2.82Å; Y161-E270 PolarHBondContact OH-OE2 3.48Å; Y161-F274 HydrophobicContact CD1-CD2 4.24Å
162	Y	98.8	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127	174.5	175.8	-123.1	0	0	0	109.9	L134 H153 P154 G164 M165 P166 M248 R249 G250	L134-Y162 HydrophobicContact CB-CD2 4Å; L134-Y162 HydrophobicContact CD2-CD2 3.77Å; L134-Y162 HydrophobicContact CD2-CE2 3.85Å; L134-Y162 HydrophobicContact CG-CD2 3.71Å; L134-Y162 HydrophobicContact CG-CE2 3.96Å; L134-Y162 VanDerWaalsContact O-CA 3.3Å; L134-Y162 WeakPolarHBondContact O-CA 3.11Å; L134-Y162 WeakPolarHBondContact O-CD2 3.31Å; H153-Y162 AromaticContact NE2-CD1 3.42Å; H153-Y162 WeakPolarHBondContact NE2-CD1 3.48Å; P154-Y162 HydrophobicContact CB-CD2 4.33Å; P154-Y162 HydrophobicContact CB-CG 4.21Å; P154-Y162 HydrophobicContact CG-CD1 4.09Å; P154-Y162 HydrophobicContact CG-CD2 3.83Å; P154-Y162 HydrophobicContact CG-CE1 4.27Å; P154-Y162 HydrophobicContact CG-CE2 4.04Å; P154-Y162 HydrophobicContact CG-CG 3.85Å; Y162-G164 PolarHBondContact OH-O 2.72Å; Y162-M165 PolarHBondContact OH-N 2.72Å; Y162-M165 PolarHBondContact OH-O 3.07Å; Y162-P166 VanDerWaalsContact OH-CA 3.3Å; Y162-P166 WeakPolarHBondContact OH-CA 3.36Å; Y162-M248 HydrophobicContact CD1-CB 4.41Å; Y162-M248 HydrophobicContact CE1-CB 3.91Å; Y162-R249 WeakPolarHBondContact O-CA 3.37Å; Y162-G250 PolarHBondContact O-N 2.72Å
163	Y	98.8	Very high	96.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.1	165.5	175.2	-90	0	0	0	109.1	L134 I135 G136 M248 R249 I266 M267 E270	L134-Y163 PolarHBondContact O-N 3.27Å; L134-Y163 VanDerWaalsContact O-N 3.09Å; I135-Y163 CarbonylContact C-O 3.56Å; I135-Y163 WeakPolarHBondContact CA-O 3.38Å; I135-Y163 HydrophobicContact CG2-CD1 4.33Å; G136-Y163 PolarHBondContact N-O 3.28Å; Y163-M248 CarbonylContact C-O 3.56Å; Y163-M248 VanDerWaalsContact CA-O 3.28Å; Y163-M248 WeakPolarHBondContact CA-O 3.41Å; Y163-R249 HydrophobicContact CD2-CB 4.08Å; Y163-R249 HydrophobicContact CD2-CG 4.25Å; Y163-I266 HydrophobicContact CE1-CB 4.26Å; Y163-I266 HydrophobicContact CE1-CG2 3.85Å; Y163-I266 HydrophobicContact CE2-CG2 4.16Å; Y163-I266 VanDerWaalsContact CZ-CG2 3.42Å; Y163-I266 WeakPolarHBondContact OH-CB 3.4Å; Y163-I266 WeakPolarHBondContact OH-CG2 3.06Å; Y163-M267 HydrophobicContact CD1-CG 4.1Å; Y163-M267 HydrophobicContact CE1-CG 3.83Å; Y163-E270 HydrophobicContact CD1-CB 4.08Å; Y163-E270 HydrophobicContact CD1-CG 3.64Å; Y163-E270 HydrophobicContact CD2-CG 4.03Å; Y163-E270 HydrophobicContact CE1-CG 3.99Å; Y163-E270 HydrophobicContact CE2-CG 4.36Å; Y163-E270 HydrophobicContact CG-CB 4.28Å; Y163-E270 HydrophobicContact CG-CG 3.67Å
164	G	97.8	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-155.3	174.3	0	0	0	0	0	114.8	G136 Y162 M248	G136-G164 CarbonylContact O-C 3.58Å; G136-G164 WeakPolarHBondContact O-CA 3.39Å; Y162-G164 PolarHBondContact OH-O 2.72Å; G164-M248 PolarHBondContact N-O 2.94Å; G164-M248 PolarHBondContact O-N 3.13Å
165	M	97.8	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.			trans	-100.5	116.9	-174	-170.5	-178.2	-168.5	0	0	110.5	G136 W138 Y162 F167 T168 L169 D244 M258 L290	G136-M165 PolarHBondContact O-N 3.29Å; W138-M165 PolarHBondContact N-O 3.11Å; Y162-M165 PolarHBondContact OH-N 2.72Å; Y162-M165 PolarHBondContact OH-O 3.07Å; M165-F167 HydrophobicContact CE-CB 4.22Å; M165-F167 HydrophobicContact CE-CD1 4.24Å; M165-F167 HydrophobicContact CG-CB 4.49Å; M165-F167 PolarHBondContact O-N 3.2Å; M165-F167 VanDerWaalsContact O-N 3.14Å; M165-T168 VanDerWaalsContact CE-C 3.41Å; M165-T168 WeakPolarHBondContact CE-O 3.31Å; M165-L169 HydrophobicContact SD-CD2 4.18Å; M165-L169 HydrophobicContact SD-CG 4.44Å; M165-D244 VanDerWaalsContact CE-O 3.3Å; M165-D244 WeakPolarHBondContact CE-O 3.33Å; M165-M258 HydrophobicContact CE-SD 4.12Å; M165-M258 HydrophobicContact SD-SD 4.06Å; M165-L290 HydrophobicContact CB-CD2 3.72Å; M165-L290 HydrophobicContact CG-CD2 4.45Å; M165-L290 HydrophobicContact SD-CD2 3.94Å
166	P	97.6	Very high	91.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.141	C	C	.	.	S	Bend	trans	-65.7	-19.7	-178.7	27	-35.7	0	0	0	112.5	L108 H139 L142 Y162 L246 M248	L108-P166 HydrophobicContact CD1-CG 4.02Å; L108-P166 HydrophobicContact CD2-CB 4.12Å; L108-P166 HydrophobicContact CD2-CG 3.98Å; H139-P166 PolarHBondContact N-O 2.92Å; L142-P166 HydrophobicContact CD1-CB 4.16Å; L142-P166 HydrophobicContact CD2-CB 4.4Å; L142-P166 HydrophobicContact CD2-CG 4.37Å; Y162-P166 VanDerWaalsContact OH-CA 3.3Å; Y162-P166 WeakPolarHBondContact OH-CA 3.36Å; P166-L246 HydrophobicContact CG-CD1 3.65Å; P166-L246 HydrophobicContact CG-CG 4.42Å; P166-M248 HydrophobicContact CB-SD 4.04Å; P166-M248 HydrophobicContact CG-CG 4.32Å; P166-M248 HydrophobicContact CG-SD 3.69Å
167	F	96.3	Very high	89.6	Confident	6 Å²	6	26.7 Å²	26.7	3%	0.026	15%	0.153	C	C	.	.	S	Bend	trans	-106.9	-131.4	-175.6	-173.5	-134.7	0	0	0	112.3	V105 H106 L108 K137 H139 M165 V170 D244	V105-F167 HydrophobicContact CG1-CD2 4.48Å; V105-F167 HydrophobicContact CG1-CE2 4.47Å; V105-F167 VanDerWaalsContact O-CE2 3.31Å; V105-F167 WeakPolarHBondContact O-CE2 3.33Å; H106-F167 VanDerWaalsContact C-CZ 3.41Å; H106-F167 WeakPolarHBondContact O-CZ 3.12Å; L108-F167 HydrophobicContact CD1-CB 4.16Å; L108-F167 HydrophobicContact CD2-CB 3.74Å; L108-F167 HydrophobicContact CD2-CG 4.39Å; L108-F167 HydrophobicContact CG-CB 3.84Å; L108-F167 HydrophobicContact CG-CG 4.23Å; K137-F167 WeakPolarHBondContact CG-O 3.4Å; H139-F167 WeakPolarHBondContact CB-O 3.43Å; H139-F167 AromaticContact CD2-CD2 3.99Å; H139-F167 AromaticContact NE2-CE2 3.89Å; M165-F167 HydrophobicContact CE-CB 4.22Å; M165-F167 HydrophobicContact CE-CD1 4.24Å; M165-F167 HydrophobicContact CG-CB 4.49Å; M165-F167 PolarHBondContact O-N 3.2Å; M165-F167 VanDerWaalsContact O-N 3.14Å; F167-V170 HydrophobicContact CE1-CG1 3.67Å; F167-V170 HydrophobicContact CZ-CG1 4.18Å; F167-D244 HydrophobicContact CD1-CB 3.9Å; F167-D244 HydrophobicContact CE1-CB 4.08Å
168	T	96.3	Very high	87.1	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.049	16%	0.164	C	C	.	.			trans	-146.2	153.8	176.9	-172.1	0	0	0	0	108.3	K137 M165 V170	K137-T168 VanDerWaalsContact CE-OG1 3.32Å; K137-T168 WeakPolarHBondContact CE-OG1 3.43Å; K137-T168 PolarHBondContact NZ-OG1 3.34Å; M165-T168 VanDerWaalsContact CE-C 3.41Å; M165-T168 WeakPolarHBondContact CE-O 3.31Å; T168-V170 HydrophobicContact CG2-CG1 4.38Å; T168-V170 PolarHBondContact O-N 2.92Å
169	L	95.2	Very high	85.1	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.			trans	-59.2	140.1	169.4	-70.8	177.6	0	0	0	110.1	M165 C173 M258 A260 L290 H293 I294 P297	M165-L169 HydrophobicContact SD-CD2 4.18Å; M165-L169 HydrophobicContact SD-CG 4.44Å; L169-C173 HydrophobicContact CD2-CB 4.01Å; L169-M258 HydrophobicContact CD2-CE 4.46Å; L169-M258 HydrophobicContact CD2-SD 4.09Å; L169-A260 HydrophobicContact CD2-CB 4.47Å; L169-L290 HydrophobicContact CD1-CB 3.86Å; L169-L290 HydrophobicContact CG-CB 4.23Å; L169-L290 HydrophobicContact CG-CD2 4.46Å; L169-H293 PolarHBondContact O-CE1 3.34Å; L169-H293 PolarHBondContact O-ND1 3.02Å; L169-I294 WeakPolarHBondContact CB-O 3.08Å; L169-P297 HydrophobicContact CD1-CG 3.69Å
170	V	91.1	Very high	82.9	Confident	40 Å²	40	35.7 Å²	35.7	24%	0.242	20%	0.198	C	C	.	.			trans	-131.4	160.1	172.8	-69.4	0	0	0	0	108.3	F167 T168 S172 C173 P295	F167-V170 HydrophobicContact CE1-CG1 3.67Å; F167-V170 HydrophobicContact CZ-CG1 4.18Å; T168-V170 HydrophobicContact CG2-CG1 4.38Å; T168-V170 PolarHBondContact O-N 2.92Å; V170-S172 WeakPolarHBondContact CG2-OG 3.44Å; V170-S172 PolarHBondContact O-N 2.89Å; V170-C173 VanDerWaalsContact CG2-SG 3.53Å; V170-C173 WeakPolarHBondContact O-CB 3.44Å; V170-C173 PolarHBondContact O-N 3.18Å; V170-P295 WeakPolarHBondContact O-CD 3.34Å
171	D	86.9	Confident	80.9	Confident	102 Å²	102	36.8 Å²	36.8	55%	0.545	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-53.5	-29	-174.3	-69.9	-17	0	0	0	114.2	C173	D171-C173 PolarHBondContact O-N 2.99Å
172	S	85.7	Confident	79	Confident	40 Å²	40	38.2 Å²	38.2	28%	0.28	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-71.8	-15.4	177.3	61	0	0	0	0	113.9	V170 L241	V170-S172 WeakPolarHBondContact CG2-OG 3.44Å; V170-S172 PolarHBondContact O-N 2.89Å; S172-L241 WeakPolarHBondContact O-CD1 3.47Å; S172-L241 PolarHBondContact OG-N 2.93Å
173	C	88.9	Confident	77.1	Confident	3 Å²	3	41 Å²	41	2%	0.02	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-77.4	-22.6	-176.9	-56.8	0	0	0	0	113.1	L169 V170 D171 C245	L169-C173 HydrophobicContact CD2-CB 4.01Å; V170-C173 VanDerWaalsContact CG2-SG 3.53Å; V170-C173 WeakPolarHBondContact O-CB 3.44Å; V170-C173 PolarHBondContact O-N 3.18Å; D171-C173 PolarHBondContact O-N 2.99Å; C173-C245 WeakPolarHBondContact CA-SG 3.33Å; C173-C245 HydrophobicContact CB-CB 3.9Å; C173-C245 WeakPolarHBondContact CB-SG 3.42Å; C173-C245 WeakPolarHBondContact SG-CB 3.43Å; C173-C245 CovalentContact SG-SG 2.04Å; C173-C245 PolarHBondContact SG-SG 3Å
174	W	87.4	Confident	75.4	Confident	34 Å²	34	44.4 Å²	44.4	13%	0.129	25%	0.251	C	S	.	.	S	Bend	trans	-172.1	158.2	-179.4	-172.6	96.6	0	0	0	111.6	A260 P295 L296 P297 L310	W174-A260 HydrophobicContact CB-CB 3.98Å; W174-A260 HydrophobicContact CG-CB 4.43Å; W174-P295 HydrophobicContact CB-CG 3.8Å; W174-P295 HydrophobicContact CE3-CB 4.42Å; W174-P295 WeakPolarHBondContact CZ3-O 3.33Å; W174-P295 WeakPolarHBondContact O-CB 3.39Å; W174-P295 WeakPolarHBondContact O-CG 3.39Å; W174-L296 WeakPolarHBondContact CZ3-O 3.33Å; W174-P297 HydrophobicContact CB-CB 4.12Å; W174-P297 HydrophobicContact CD2-CB 4.03Å; W174-P297 HydrophobicContact CG-CB 3.77Å; W174-L310 HydrophobicContact CH2-CD1 4Å; W174-L310 HydrophobicContact CH2-CD2 3.83Å; W174-L310 HydrophobicContact CZ3-CD1 4.48Å; W174-L310 HydrophobicContact CZ3-CD2 3.54Å
175	P	67.3	Low	73.9	Confident	56 Å²	56	50.4 Å²	50.4	36%	0.364	28%	0.278	S	S	.	.			cis	-71.4	143.5	-16.3	31.2	-31	0	0	0	108.4	P177	P175-P177 WeakPolarHBondContact O-CD 3.4Å
176	D	53.4	Low	72.5	Confident	39 Å²	39	50.7 Å²	50.7	21%	0.209	28%	0.279	C	S	.	.			trans	-108.3	72.5	178.9	-162.3	-2.5	0	0	0	110.5	S178 R179	D176-S178 PolarHBondContact O-N 3.46Å; D176-S178 WeakPolarHBondContact OD1-CA 3.27Å; D176-S178 PolarHBondContact OD1-N 2.79Å; D176-S178 VanDerWaalsContact OD1-N 3.15Å; D176-S178 PolarHBondContact OD1-OG 3.23Å; D176-R179 HydrophobicContact CB-CB 4.14Å; D176-R179 PolarHBondContact O-N 3.37Å; D176-R179 WeakPolarHBondContact OD1-CA 3.37Å; D176-R179 PolarHBondContact OD1-N 2.89Å; D176-R179 WeakPolarHBondContact OD2-CA 3.28Å; D176-R179 WeakPolarHBondContact OD2-CB 3.38Å; D176-R179 WeakPolarHBondContact OD2-CG 3.4Å
177	P	49.1	Very low	71.1	Confident	107 Å²	107	54 Å²	54	70%	0.695	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.8	166.8	30	-31.8	0	0	0	111.2	P175 T181	P175-P177 WeakPolarHBondContact O-CD 3.4Å; P177-T181 PolarHBondContact O-OG1 2.83Å
178	S	46.7	Very low	70.3	Confident	36 Å²	36	59.1 Å²	59.1	25%	0.252	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.6	-179	63.2	0	0	0	0	113.8	D176 N180 T181 E182	D176-S178 PolarHBondContact O-N 3.46Å; D176-S178 WeakPolarHBondContact OD1-CA 3.27Å; D176-S178 PolarHBondContact OD1-N 2.79Å; D176-S178 VanDerWaalsContact OD1-N 3.15Å; D176-S178 PolarHBondContact OD1-OG 3.23Å; S178-N180 PolarHBondContact O-N 3.25Å; S178-T181 CarbonylContact O-C 3.53Å; S178-T181 PolarHBondContact O-N 2.78Å; S178-T181 VanDerWaalsContact O-N 3.14Å; S178-E182 WeakPolarHBondContact CB-OE1 3.45Å; S178-E182 WeakPolarHBondContact O-CA 3.48Å; S178-E182 WeakPolarHBondContact O-CB 3.37Å; S178-E182 WeakPolarHBondContact O-CG 3.31Å; S178-E182 PolarHBondContact O-N 3.47Å; S178-E182 PolarHBondContact OG-OE1 2.94Å
179	R	55.6	Low	69.5	Low	47 Å²	47	60.1 Å²	60.1	18%	0.177	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-54.7	-177.2	-155.1	167.9	159	152.2	-2.2	111.3	D176 T181 L183 P257 M258	D176-R179 HydrophobicContact CB-CB 4.14Å; D176-R179 PolarHBondContact O-N 3.37Å; D176-R179 WeakPolarHBondContact OD1-CA 3.37Å; D176-R179 PolarHBondContact OD1-N 2.89Å; D176-R179 WeakPolarHBondContact OD2-CA 3.28Å; D176-R179 WeakPolarHBondContact OD2-CB 3.38Å; D176-R179 WeakPolarHBondContact OD2-CG 3.4Å; R179-T181 VanDerWaalsContact C-N 3.35Å; R179-L183 HydrophobicContact CG-CD1 4.25Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CD1 3.29Å; R179-L183 WeakPolarHBondContact O-CD1 3.36Å; R179-L183 WeakPolarHBondContact O-CG 3.47Å; R179-L183 PolarHBondContact O-N 2.98Å; R179-P257 PolarHBondContact NH1-O 3.01Å; R179-P257 PolarHBondContact NH2-O 3.33Å; R179-P257 VanDerWaalsContact NH2-O 3.1Å; R179-M258 PolarHBondContact NH1-O 2.73Å
180	N	54.1	Low	68.9	Low	120 Å²	120	65 Å²	65	64%	0.642	35%	0.349	S	S	*	.	H	α-helix	trans	-73.1	-34.3	179.9	-66.7	-26.3	0	0	0	110.4	S178 T184	S178-N180 PolarHBondContact O-N 3.25Å; N180-T184 WeakPolarHBondContact O-CB 3.41Å; N180-T184 PolarHBondContact O-N 3.31Å; N180-T184 PolarHBondContact O-OG1 3.17Å
181	T	55.3	Low	68.6	Low	91 Å²	91	67.4 Å²	67.4	56%	0.558	36%	0.361	S	S	*	.	H	α-helix	trans	-74.9	-40.9	-176.5	-43.6	0	0	0	0	112.4	P177 S178 R179 F185	P177-T181 PolarHBondContact O-OG1 2.83Å; S178-T181 CarbonylContact O-C 3.53Å; S178-T181 PolarHBondContact O-N 2.78Å; S178-T181 VanDerWaalsContact O-N 3.14Å; R179-T181 VanDerWaalsContact C-N 3.35Å; T181-F185 WeakPolarHBondContact O-CB 3.45Å; T181-F185 PolarHBondContact O-N 3.47Å
182	E	58.9	Low	68.5	Low	73 Å²	73	65.5 Å²	65.5	34%	0.341	35%	0.354	S	S	.	.	H	α-helix	trans	-68.7	-48.6	171.5	-78.2	169.6	-155.8	0	0	110	S178 T184 F185 E186	S178-E182 WeakPolarHBondContact CB-OE1 3.45Å; S178-E182 WeakPolarHBondContact O-CA 3.48Å; S178-E182 WeakPolarHBondContact O-CB 3.37Å; S178-E182 WeakPolarHBondContact O-CG 3.31Å; S178-E182 PolarHBondContact O-N 3.47Å; S178-E182 PolarHBondContact OG-OE1 2.94Å; E182-T184 PolarHBondContact O-N 3.44Å; E182-F185 CarbonylContact O-C 3.27Å; E182-F185 PolarHBondContact O-N 2.76Å; E182-F185 VanDerWaalsContact O-N 3.15Å; E182-E186 WeakPolarHBondContact O-CA 3.41Å; E182-E186 WeakPolarHBondContact O-CB 3.22Å; E182-E186 WeakPolarHBondContact O-CG 3.34Å; E182-E186 PolarHBondContact O-N 3.09Å
183	L	60.1	Low	68.5	Low	58 Å²	58	64.1 Å²	64.1	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-39.5	174.2	-71.6	169.6	0	0	0	111.4	R179 S187	R179-L183 HydrophobicContact CG-CD1 4.25Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CD1 3.29Å; R179-L183 WeakPolarHBondContact O-CD1 3.36Å; R179-L183 WeakPolarHBondContact O-CG 3.47Å; R179-L183 PolarHBondContact O-N 2.98Å; L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 2.94Å; L183-S187 PolarHBondContact O-OG 2.77Å
184	T	62.8	Low	68.5	Low	71 Å²	71	68.1 Å²	68.1	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-47.9	174.9	-56.1	0	0	0	0	111.2	N180 E182 E186 S187 Q188	N180-T184 WeakPolarHBondContact O-CB 3.41Å; N180-T184 PolarHBondContact O-N 3.31Å; N180-T184 PolarHBondContact O-OG1 3.17Å; E182-T184 PolarHBondContact O-N 3.44Å; T184-E186 PolarHBondContact O-N 3.04Å; T184-S187 PolarHBondContact O-N 3.48Å; T184-S187 PolarHBondContact O-OG 3.38Å; T184-Q188 WeakPolarHBondContact O-CB 3.42Å; T184-Q188 VanDerWaalsContact O-CG 3.31Å; T184-Q188 WeakPolarHBondContact O-CG 3.4Å; T184-Q188 PolarHBondContact O-N 3.45Å
185	F	66.2	Low	68.6	Low	127 Å²	127	71.4 Å²	71.4	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-63.5	-39.3	179.2	-177.6	-100.4	0	0	0	112	T181 E182 Q188 L189	T181-F185 WeakPolarHBondContact O-CB 3.45Å; T181-F185 PolarHBondContact O-N 3.47Å; E182-F185 CarbonylContact O-C 3.27Å; E182-F185 PolarHBondContact O-N 2.76Å; E182-F185 VanDerWaalsContact O-N 3.15Å; F185-Q188 PolarHBondContact O-N 2.8Å; F185-L189 WeakPolarHBondContact O-CB 3.5Å; F185-L189 PolarHBondContact O-N 2.7Å
186	E	67.8	Low	69.5	Low	6 Å²	6	70.2 Å²	70.2	3%	0.028	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-44.3	174.8	-74	173.5	165.4	0	0	111.2	E182 T184 Q188 L189 W190 W233 S236 Y237	E182-E186 WeakPolarHBondContact O-CA 3.41Å; E182-E186 WeakPolarHBondContact O-CB 3.22Å; E182-E186 WeakPolarHBondContact O-CG 3.34Å; E182-E186 PolarHBondContact O-N 3.09Å; T184-E186 PolarHBondContact O-N 3.04Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.43Å; E186-L189 PolarHBondContact O-N 2.89Å; E186-W190 WeakPolarHBondContact O-CB 3.26Å; E186-W190 PolarHBondContact O-N 2.77Å; E186-W233 PolarHBondContact O-NE1 2.89Å; E186-S236 VanDerWaalsContact OE1-CB 3.23Å; E186-S236 WeakPolarHBondContact OE1-CB 3.45Å; E186-S236 PolarHBondContact OE1-OG 3.19Å; E186-Y237 PolarHBondContact OE2-OH 3.25Å
187	S	69.1	Low	71.3	Confident	71 Å²	71	69.8 Å²	69.8	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.1	76.4	0	0	0	0	111.7	L183 T184 L191	L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 2.94Å; L183-S187 PolarHBondContact O-OG 2.77Å; T184-S187 PolarHBondContact O-N 3.48Å; T184-S187 PolarHBondContact O-OG 3.38Å; S187-L191 WeakPolarHBondContact O-CB 3.29Å; S187-L191 PolarHBondContact O-N 3.26Å
188	Q	77.9	Confident	73.4	Confident	112 Å²	112	69.6 Å²	69.6	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-41.5	174.9	-73.9	178.9	-12.2	0	0	111.6	T184 F185 E186 W190 L191 C192	T184-Q188 WeakPolarHBondContact O-CB 3.42Å; T184-Q188 VanDerWaalsContact O-CG 3.31Å; T184-Q188 WeakPolarHBondContact O-CG 3.4Å; T184-Q188 PolarHBondContact O-N 3.45Å; F185-Q188 PolarHBondContact O-N 2.8Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.43Å; Q188-W190 VanDerWaalsContact C-N 3.35Å; Q188-L191 PolarHBondContact O-N 3.45Å; Q188-C192 PolarHBondContact O-N 3.17Å; Q188-C192 PolarHBondContact O-SG 3.12Å
189	L	79.9	Confident	75.6	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-41.4	177	-173.3	64.8	0	0	0	111	F185 E186 C192 V193 L229 W233	F185-L189 WeakPolarHBondContact O-CB 3.5Å; F185-L189 PolarHBondContact O-N 2.7Å; E186-L189 PolarHBondContact O-N 2.89Å; L189-C192 WeakPolarHBondContact O-CB 3.21Å; L189-C192 PolarHBondContact O-N 3.22Å; L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.97Å; L189-L229 HydrophobicContact CD1-CD2 3.71Å; L189-W233 HydrophobicContact CD2-CB 3.76Å; L189-W233 HydrophobicContact CD2-CG 4.48Å; L189-W233 HydrophobicContact CG-CB 4.25Å
190	W	83.1	Confident	77.3	Confident	102 Å²	102	68 Å²	68	39%	0.386	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-43.1	175.1	-176.4	-117.6	0	0	0	112.3	E186 Q188 C192 V193 Q194 W233	E186-W190 WeakPolarHBondContact O-CB 3.26Å; E186-W190 PolarHBondContact O-N 2.77Å; Q188-W190 VanDerWaalsContact C-N 3.35Å; W190-C192 VanDerWaalsContact C-N 3.29Å; W190-C192 PolarHBondContact O-N 3.33Å; W190-V193 HydrophobicContact CE3-CB 4.24Å; W190-V193 HydrophobicContact CE3-CG1 4.16Å; W190-V193 HydrophobicContact CZ3-CG1 3.97Å; W190-V193 WeakPolarHBondContact O-CB 3.27Å; W190-V193 PolarHBondContact O-N 2.89Å; W190-V193 VanDerWaalsContact O-N 3.16Å; W190-Q194 VanDerWaalsContact NE1-NE2 3.13Å; W190-Q194 WeakPolarHBondContact O-CG 3.17Å; W190-Q194 PolarHBondContact O-N 3.23Å; W190-W233 HydrophobicContact CD2-CH2 4.48Å; W190-W233 HydrophobicContact CD2-CZ2 4.22Å; W190-W233 AromaticContact CE3-CD2 3.78Å; W190-W233 HydrophobicContact CE3-CD2 3.78Å; W190-W233 AromaticContact CE3-CE2 3.94Å; W190-W233 AromaticContact CE3-CE3 3.82Å; W190-W233 HydrophobicContact CE3-CE3 3.82Å; W190-W233 HydrophobicContact CE3-CG 4.39Å; W190-W233 HydrophobicContact CE3-CH2 4.18Å; W190-W233 HydrophobicContact CE3-CZ2 4.15Å; W190-W233 HydrophobicContact CE3-CZ3 4.02Å; W190-W233 HydrophobicContact CG-CZ2 4.43Å; W190-W233 HydrophobicContact CZ3-CD2 4.36Å; W190-W233 AromaticContact CZ3-CE3 3.92Å; W190-W233 HydrophobicContact CZ3-CE3 3.92Å; W190-W233 HydrophobicContact CZ3-CH2 4.34Å; W190-W233 AromaticContact CZ3-CZ3 3.9Å; W190-W233 HydrophobicContact CZ3-CZ3 3.9Å
191	L	84.4	Confident	79.2	Confident	92 Å²	92	68.1 Å²	68.1	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-42.6	172.7	-177.8	65.4	0	0	0	111.1	S187 Q188 V193 Q194 L195	S187-L191 WeakPolarHBondContact O-CB 3.29Å; S187-L191 PolarHBondContact O-N 3.26Å; Q188-L191 PolarHBondContact O-N 3.45Å; L191-V193 PolarHBondContact O-N 3.22Å; L191-Q194 PolarHBondContact O-N 3.21Å; L191-L195 HydrophobicContact CG-CD1 4.21Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.24Å
192	C	84.3	Confident	81.1	Confident	61 Å²	61	68 Å²	68	41%	0.412	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-45.1	173.9	-72.9	0	0	0	0	111.9	Q188 L189 W190 Q194 L195 V196	Q188-C192 PolarHBondContact O-N 3.17Å; Q188-C192 PolarHBondContact O-SG 3.12Å; L189-C192 WeakPolarHBondContact O-CB 3.21Å; L189-C192 PolarHBondContact O-N 3.22Å; W190-C192 VanDerWaalsContact C-N 3.29Å; W190-C192 PolarHBondContact O-N 3.33Å; C192-Q194 VanDerWaalsContact C-N 3.32Å; C192-Q194 PolarHBondContact O-N 2.82Å; C192-L195 PolarHBondContact O-N 2.96Å; C192-V196 VanDerWaalsContact O-CG2 3.26Å; C192-V196 WeakPolarHBondContact O-CG2 3.43Å; C192-V196 PolarHBondContact O-N 2.61Å
193	V	85.9	Confident	82.6	Confident	11 Å²	11	66.9 Å²	66.9	7%	0.067	36%	0.361	C	S	.	.	H	α-helix	trans	-56.7	-46.4	174.7	167.9	0	0	0	0	110.9	L189 W190 L191 V196 A197 I226 L229	L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.97Å; W190-V193 HydrophobicContact CE3-CB 4.24Å; W190-V193 HydrophobicContact CE3-CG1 4.16Å; W190-V193 HydrophobicContact CZ3-CG1 3.97Å; W190-V193 WeakPolarHBondContact O-CB 3.27Å; W190-V193 PolarHBondContact O-N 2.89Å; W190-V193 VanDerWaalsContact O-N 3.16Å; L191-V193 PolarHBondContact O-N 3.22Å; V193-V196 PolarHBondContact O-N 2.99Å; V193-A197 VanDerWaalsContact O-CB 3.25Å; V193-A197 WeakPolarHBondContact O-CB 3.45Å; V193-A197 PolarHBondContact O-N 3.05Å; V193-I226 HydrophobicContact CG1-CG2 4.24Å; V193-L229 HydrophobicContact CG2-CB 3.63Å
194	Q	88.4	Confident	84.1	Confident	88 Å²	88	65.6 Å²	65.6	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-45.7	178.1	-69.7	-179.6	-24.3	0	0	112.3	W190 L191 C192 A197 I198	W190-Q194 VanDerWaalsContact NE1-NE2 3.13Å; W190-Q194 WeakPolarHBondContact O-CG 3.17Å; W190-Q194 PolarHBondContact O-N 3.23Å; L191-Q194 PolarHBondContact O-N 3.21Å; C192-Q194 VanDerWaalsContact C-N 3.32Å; C192-Q194 PolarHBondContact O-N 2.82Å; Q194-A197 PolarHBondContact O-N 2.89Å; Q194-I198 WeakPolarHBondContact O-CG1 3.23Å; Q194-I198 PolarHBondContact O-N 3.15Å
195	L	90.1	Very high	85.6	Confident	102 Å²	102	68 Å²	68	53%	0.534	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-44.2	179.7	-70.6	173.6	0	0	0	112	L191 C192 A197 I198 A199	L191-L195 HydrophobicContact CG-CD1 4.21Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.24Å; C192-L195 PolarHBondContact O-N 2.96Å; L195-A197 VanDerWaalsContact C-N 3.34Å; L195-I198 PolarHBondContact O-N 2.91Å; L195-A199 PolarHBondContact O-N 3.22Å
196	V	87.2	Confident	86.9	Confident	32 Å²	32	62.1 Å²	62.1	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-37.7	177.2	-176	0	0	0	0	110.3	C192 V193 A199 V200 M222 F225 I226	C192-V196 VanDerWaalsContact O-CG2 3.26Å; C192-V196 WeakPolarHBondContact O-CG2 3.43Å; C192-V196 PolarHBondContact O-N 2.61Å; V193-V196 PolarHBondContact O-N 2.99Å; V196-A199 PolarHBondContact O-N 2.7Å; V196-V200 WeakPolarHBondContact O-CG2 3.25Å; V196-V200 PolarHBondContact O-N 3.49Å; V196-M222 HydrophobicContact CG1-CE 4.2Å; V196-F225 HydrophobicContact CG1-CD1 4.46Å; V196-I226 HydrophobicContact CB-CD1 4.36Å; V196-I226 HydrophobicContact CB-CG1 3.89Å; V196-I226 HydrophobicContact CG1-CD1 3.81Å; V196-I226 HydrophobicContact CG1-CG1 3.43Å; V196-I226 VanDerWaalsContact CG1-CG1 3.43Å
197	A	90.4	Very high	88.1	Confident	30 Å²	30	64.3 Å²	64.3	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-45.4	175	0	0	0	0	0	112.4	V193 Q194 L195 A199 V200 L201 I226	V193-A197 VanDerWaalsContact O-CB 3.25Å; V193-A197 WeakPolarHBondContact O-CB 3.45Å; V193-A197 PolarHBondContact O-N 3.05Å; Q194-A197 PolarHBondContact O-N 2.89Å; L195-A197 VanDerWaalsContact C-N 3.34Å; A197-A199 VanDerWaalsContact C-N 3.33Å; A197-A199 PolarHBondContact O-N 3.2Å; A197-V200 PolarHBondContact O-N 3.21Å; A197-L201 VanDerWaalsContact O-CG 3.31Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.34Å; A197-I226 HydrophobicContact CB-CD1 4.21Å
198	I	94.2	Very high	89.2	Confident	102 Å²	102	66.8 Å²	66.8	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-46.6	174	-68.4	167	0	0	0	110	Q194 L195 V200 L201 T202	Q194-I198 WeakPolarHBondContact O-CG1 3.23Å; Q194-I198 PolarHBondContact O-N 3.15Å; L195-I198 PolarHBondContact O-N 2.91Å; I198-V200 PolarHBondContact O-N 3.41Å; I198-L201 PolarHBondContact O-N 2.97Å; I198-T202 PolarHBondContact O-N 3.48Å; I198-T202 PolarHBondContact O-OG1 3.18Å
199	A	91.2	Very high	89.9	Confident	39 Å²	39	63.9 Å²	63.9	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-43.6	177.9	0	0	0	0	0	112.4	L195 V196 A197 T202 L203 M222	L195-A199 PolarHBondContact O-N 3.22Å; V196-A199 PolarHBondContact O-N 2.7Å; A197-A199 VanDerWaalsContact C-N 3.33Å; A197-A199 PolarHBondContact O-N 3.2Å; A199-T202 PolarHBondContact O-N 2.79Å; A199-L203 WeakPolarHBondContact O-CB 3.38Å; A199-L203 VanDerWaalsContact O-CG 3.24Å; A199-L203 WeakPolarHBondContact O-CG 3.22Å; A199-L203 PolarHBondContact O-N 2.82Å; A199-M222 HydrophobicContact CB-CE 4.18Å
200	V	93.1	Very high	90.3	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-44.8	175.4	168.7	0	0	0	0	111.4	V196 A197 I198 L203 T204 I219 M222 I223 I226	V196-V200 WeakPolarHBondContact O-CG2 3.25Å; V196-V200 PolarHBondContact O-N 3.49Å; A197-V200 PolarHBondContact O-N 3.21Å; I198-V200 PolarHBondContact O-N 3.41Å; V200-L203 PolarHBondContact O-N 3.14Å; V200-T204 VanDerWaalsContact O-CB 3.26Å; V200-T204 WeakPolarHBondContact O-CB 3.42Å; V200-T204 PolarHBondContact O-N 3.29Å; V200-T204 PolarHBondContact O-OG1 3.32Å; V200-I219 HydrophobicContact CG1-CG2 4.46Å; V200-M222 HydrophobicContact CG2-CB 3.43Å; V200-M222 VanDerWaalsContact CG2-CB 3.43Å; V200-M222 HydrophobicContact CG2-CE 3.82Å; V200-M222 HydrophobicContact CG2-CG 4.43Å; V200-M222 HydrophobicContact CG2-SD 4.31Å; V200-I223 HydrophobicContact CG1-CD1 4.24Å; V200-I223 HydrophobicContact CG1-CG1 3.65Å; V200-I226 HydrophobicContact CB-CD1 4.01Å; V200-I226 HydrophobicContact CG2-CD1 3.52Å
201	L	93.7	Very high	90.7	Very high	123 Å²	123	70.1 Å²	70.1	64%	0.644	39%	0.386	S	S	*	.	H	α-helix	trans	-62.1	-45	177.7	-71.5	171.8	0	0	0	111.3	A197 I198 T204 F205	A197-L201 VanDerWaalsContact O-CG 3.31Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.34Å; I198-L201 PolarHBondContact O-N 2.97Å; L201-T204 PolarHBondContact O-N 3.1Å; L201-F205 WeakPolarHBondContact O-CB 3.5Å; L201-F205 PolarHBondContact O-N 2.88Å
202	T	93.4	Very high	91	Very high	89 Å²	89	69 Å²	69	55%	0.546	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-45	177.4	-55	0	0	0	0	112.1	I198 A199 F205 G206	I198-T202 PolarHBondContact O-N 3.48Å; I198-T202 PolarHBondContact O-OG1 3.18Å; A199-T202 PolarHBondContact O-N 2.79Å; T202-F205 PolarHBondContact O-N 3.32Å; T202-G206 PolarHBondContact O-N 3.27Å
203	L	91.9	Very high	91.1	Very high	48 Å²	48	72.3 Å²	72.3	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-66.2	-39.1	178	-72.1	174	0	0	0	112.1	A199 V200 K207 V214 M222	A199-L203 WeakPolarHBondContact O-CB 3.38Å; A199-L203 VanDerWaalsContact O-CG 3.24Å; A199-L203 WeakPolarHBondContact O-CG 3.22Å; A199-L203 PolarHBondContact O-N 2.82Å; V200-L203 PolarHBondContact O-N 3.14Å; L203-K207 VanDerWaalsContact O-CB 3.26Å; L203-K207 WeakPolarHBondContact O-CB 3.14Å; L203-K207 PolarHBondContact O-N 2.83Å; L203-V214 HydrophobicContact CD2-CG2 4.25Å; L203-M222 HydrophobicContact CD1-CE 4.13Å; L203-M222 HydrophobicContact CD1-SD 3.79Å
204	T	91.9	Very high	91.3	Very high	32 Å²	32	72.7 Å²	72.7	20%	0.196	41%	0.409	C	S	.	.	H	α-helix	trans	-65.2	-46.8	176.5	-55.5	0	0	0	0	110.3	V200 L201 K207 L208 W216	V200-T204 VanDerWaalsContact O-CB 3.26Å; V200-T204 WeakPolarHBondContact O-CB 3.42Å; V200-T204 PolarHBondContact O-N 3.29Å; V200-T204 PolarHBondContact O-OG1 3.32Å; L201-T204 PolarHBondContact O-N 3.1Å; T204-K207 PolarHBondContact O-N 2.8Å; T204-L208 HydrophobicContact CG2-CD1 4Å; T204-L208 HydrophobicContact CG2-CG 4.47Å; T204-L208 WeakPolarHBondContact O-CB 3.42Å; T204-L208 VanDerWaalsContact O-CG 3.26Å; T204-L208 WeakPolarHBondContact O-CG 3.25Å; T204-L208 PolarHBondContact O-N 3.11Å; T204-W216 HydrophobicContact CG2-CH2 4.46Å; T204-W216 HydrophobicContact CG2-CZ3 4.46Å
205	F	93.8	Very high	91.6	Very high	120 Å²	120	72.3 Å²	72.3	53%	0.526	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-46.5	175.9	-179.9	-98.1	0	0	0	112.2	L201 T202 K207 L208 S209 W211	L201-F205 WeakPolarHBondContact O-CB 3.5Å; L201-F205 PolarHBondContact O-N 2.88Å; T202-F205 PolarHBondContact O-N 3.32Å; F205-K207 VanDerWaalsContact C-N 3.32Å; F205-K207 PolarHBondContact O-N 2.66Å; F205-L208 PolarHBondContact O-N 2.82Å; F205-S209 WeakPolarHBondContact CZ-OG 3.37Å; F205-S209 VanDerWaalsContact O-CB 3.28Å; F205-S209 WeakPolarHBondContact O-CB 3.38Å; F205-S209 PolarHBondContact O-N 2.85Å; F205-S209 PolarHBondContact O-OG 3.31Å; F205-W211 HydrophobicContact CD1-CZ3 4.48Å; F205-W211 HydrophobicContact CE1-CE3 4.4Å; F205-W211 HydrophobicContact CE1-CH2 4.02Å; F205-W211 AromaticContact CE1-CZ3 3.84Å; F205-W211 HydrophobicContact CE1-CZ3 3.84Å
206	G	93.5	Very high	91.6	Very high	4 Å²	4	72.7 Å²	72.7	4%	0.041	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-38.2	177.9	0	0	0	0	0	112.6	T202 G210 W211 V212	T202-G206 PolarHBondContact O-N 3.27Å; G206-G210 PolarHBondContact O-N 3.34Å; G206-W211 PolarHBondContact O-N 3.48Å; G206-V212 PolarHBondContact O-N 2.56Å
207	K	91.7	Very high	91.9	Very high	52 Å²	52	77.9 Å²	77.9	23%	0.226	44%	0.435	C	S	.	.	H	α-helix	trans	-68.2	-44	174.5	-176.5	177.4	175	61.6	0	112.4	L203 T204 F205 S209 G210 V214 W216 I219	L203-K207 VanDerWaalsContact O-CB 3.26Å; L203-K207 WeakPolarHBondContact O-CB 3.14Å; L203-K207 PolarHBondContact O-N 2.83Å; T204-K207 PolarHBondContact O-N 2.8Å; F205-K207 VanDerWaalsContact C-N 3.32Å; F205-K207 PolarHBondContact O-N 2.66Å; K207-S209 VanDerWaalsContact C-N 3.32Å; K207-G210 PolarHBondContact O-N 3.34Å; K207-V214 WeakPolarHBondContact CD-O 3.43Å; K207-V214 VanDerWaalsContact CE-O 3.23Å; K207-V214 WeakPolarHBondContact CE-O 3.39Å; K207-V214 PolarHBondContact NZ-O 2.92Å; K207-W216 HydrophobicContact CD-CD2 4.12Å; K207-W216 HydrophobicContact CD-CE3 4.48Å; K207-W216 HydrophobicContact CD-CZ2 4.21Å; K207-W216 VanDerWaalsContact CE-CD2 3.49Å; K207-I219 HydrophobicContact CB-CD1 4.36Å; K207-I219 HydrophobicContact CD-CD1 3.5Å
208	L	91.9	Very high	92	Very high	124 Å²	124	80.4 Å²	80.4	65%	0.649	44%	0.444	S	S	*	.	H	α-helix	trans	-67.6	-32.3	178.3	-70.5	173.8	0	0	0	112.6	T204 F205 G210 W216	T204-L208 HydrophobicContact CG2-CD1 4Å; T204-L208 HydrophobicContact CG2-CG 4.47Å; T204-L208 WeakPolarHBondContact O-CB 3.42Å; T204-L208 VanDerWaalsContact O-CG 3.26Å; T204-L208 WeakPolarHBondContact O-CG 3.25Å; T204-L208 PolarHBondContact O-N 3.11Å; F205-L208 PolarHBondContact O-N 2.82Å; L208-G210 VanDerWaalsContact C-N 3.29Å; L208-W216 HydrophobicContact CD2-CH2 4.22Å; L208-W216 HydrophobicContact CD2-CZ2 4.21Å
209	S	93.3	Very high	91.8	Very high	51 Å²	51	75.6 Å²	75.6	36%	0.357	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.8	177.2	-52.5	0	0	0	0	113.4	F205 K207 W211	F205-S209 WeakPolarHBondContact CZ-OG 3.37Å; F205-S209 VanDerWaalsContact O-CB 3.28Å; F205-S209 WeakPolarHBondContact O-CB 3.38Å; F205-S209 PolarHBondContact O-N 2.85Å; F205-S209 PolarHBondContact O-OG 3.31Å; K207-S209 VanDerWaalsContact C-N 3.32Å; S209-W211 VanDerWaalsContact C-N 3.29Å; S209-W211 VanDerWaalsContact O-CD1 3.3Å; S209-W211 PolarHBondContact O-N 3.04Å
210	G	89.4	Confident	91.9	Very high	66 Å²	66	79.7 Å²	79.7	68%	0.68	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	10.6	-179.3	0	0	0	0	0	115.2	G206 K207 L208	G206-G210 PolarHBondContact O-N 3.34Å; K207-G210 PolarHBondContact O-N 3.34Å; L208-G210 VanDerWaalsContact C-N 3.29Å
211	W	91.8	Very high	91.9	Very high	195 Å²	195	82.4 Å²	82.4	74%	0.739	45%	0.45	S	S	*	.	S	Bend	trans	-79.4	-24.9	-177.8	-62.8	-4.9	0	0	0	113.2	F205 G206 S209	F205-W211 HydrophobicContact CD1-CZ3 4.48Å; F205-W211 HydrophobicContact CE1-CE3 4.4Å; F205-W211 HydrophobicContact CE1-CH2 4.02Å; F205-W211 AromaticContact CE1-CZ3 3.84Å; F205-W211 HydrophobicContact CE1-CZ3 3.84Å; G206-W211 PolarHBondContact O-N 3.48Å; S209-W211 VanDerWaalsContact C-N 3.29Å; S209-W211 VanDerWaalsContact O-CD1 3.3Å; S209-W211 PolarHBondContact O-N 3.04Å
212	V	89.4	Confident	91.7	Very high	70 Å²	70	78.6 Å²	78.6	42%	0.424	43%	0.429	S	S	.	.			trans	-139.9	134.1	-175.6	-164.1	0	0	0	0	110.9	G206 V214	G206-V212 PolarHBondContact O-N 2.56Å; V212-V214 HydrophobicContact CB-CG2 4.32Å; V212-V214 HydrophobicContact CG1-CG2 3.54Å; V212-V214 PolarHBondContact O-N 3.26Å
213	S	87.1	Confident	91.6	Very high	129 Å²	129	77 Å²	77	90%	0.902	42%	0.416	S	S	*	.			trans	-97.2	79.2	178.8	-178.1	0	0	0	0	112
214	V	90.2	Very high	91.6	Very high	19 Å²	19	79.7 Å²	79.7	12%	0.115	43%	0.431	C	S	.	.			trans	-105.4	138.5	177.6	-174.4	0	0	0	0	110.7	L203 K207 V212 L218 I219	L203-V214 HydrophobicContact CD2-CG2 4.25Å; K207-V214 WeakPolarHBondContact CD-O 3.43Å; K207-V214 VanDerWaalsContact CE-O 3.23Å; K207-V214 WeakPolarHBondContact CE-O 3.39Å; K207-V214 PolarHBondContact NZ-O 2.92Å; V212-V214 HydrophobicContact CB-CG2 4.32Å; V212-V214 HydrophobicContact CG1-CG2 3.54Å; V212-V214 PolarHBondContact O-N 3.26Å; V214-L218 HydrophobicContact CG1-CB 4.09Å; V214-L218 HydrophobicContact CG1-CD2 3.6Å; V214-L218 HydrophobicContact CG1-CG 4.35Å; V214-I219 HydrophobicContact CG1-CG1 4.45Å
215	P	93.6	Very high	91.6	Very high	81 Å²	81	83.4 Å²	83.4	53%	0.526	44%	0.444	S	S	.	.			trans	-67.1	140.8	175.3	27.2	-34.1	0	0	0	111.7	L217 L218	P215-L217 PolarHBondContact O-N 3.4Å; P215-L217 VanDerWaalsContact O-N 3.17Å; P215-L218 HydrophobicContact CG-CB 4.1Å; P215-L218 PolarHBondContact O-N 3.29Å; P215-L218 VanDerWaalsContact O-N 3.07Å
216	W	90.8	Very high	91.4	Very high	110 Å²	110	79.1 Å²	79.1	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-57	-30.9	176	-83.4	117.5	0	0	0	112.7	T204 K207 L208 L218 I219 F220	T204-W216 HydrophobicContact CG2-CH2 4.46Å; T204-W216 HydrophobicContact CG2-CZ3 4.46Å; K207-W216 HydrophobicContact CD-CD2 4.12Å; K207-W216 HydrophobicContact CD-CE3 4.48Å; K207-W216 HydrophobicContact CD-CZ2 4.21Å; K207-W216 VanDerWaalsContact CE-CD2 3.49Å; L208-W216 HydrophobicContact CD2-CH2 4.22Å; L208-W216 HydrophobicContact CD2-CZ2 4.21Å; W216-L218 VanDerWaalsContact C-N 3.29Å; W216-L218 PolarHBondContact O-N 3.17Å; W216-I219 HydrophobicContact CE3-CB 4.29Å; W216-I219 HydrophobicContact CE3-CD1 3.96Å; W216-I219 HydrophobicContact CE3-CG2 4.34Å; W216-I219 HydrophobicContact CZ3-CD1 4.06Å; W216-I219 HydrophobicContact CZ3-CG2 4.3Å; W216-I219 PolarHBondContact O-N 2.79Å; W216-F220 HydrophobicContact CB-CD2 4.18Å; W216-F220 HydrophobicContact CB-CE2 3.84Å; W216-F220 HydrophobicContact CE3-CE2 4.41Å; W216-F220 HydrophobicContact CE3-CZ 4.2Å; W216-F220 HydrophobicContact CG-CE2 4.47Å; W216-F220 WeakPolarHBondContact O-CD2 3.17Å; W216-F220 WeakPolarHBondContact O-CG 3.37Å; W216-F220 PolarHBondContact O-N 3.03Å
217	L	93.9	Very high	91.2	Very high	140 Å²	140	85.9 Å²	85.9	73%	0.733	46%	0.455	S	S	*	.	H	α-helix	trans	-57.6	-39.3	176.2	-174.4	65.4	0	0	0	112.8	P215 S221	P215-L217 PolarHBondContact O-N 3.4Å; P215-L217 VanDerWaalsContact O-N 3.17Å; L217-S221 VanDerWaalsContact O-CB 3.29Å; L217-S221 WeakPolarHBondContact O-CB 3.33Å; L217-S221 PolarHBondContact O-N 3.38Å
218	L	91.3	Very high	91.1	Very high	83 Å²	83	88.2 Å²	88.2	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-67.6	-43	177.5	-175.8	68.8	0	0	0	110.8	V214 P215 W216 S221 M222	V214-L218 HydrophobicContact CG1-CB 4.09Å; V214-L218 HydrophobicContact CG1-CD2 3.6Å; V214-L218 HydrophobicContact CG1-CG 4.35Å; P215-L218 HydrophobicContact CG-CB 4.1Å; P215-L218 PolarHBondContact O-N 3.29Å; P215-L218 VanDerWaalsContact O-N 3.07Å; W216-L218 VanDerWaalsContact C-N 3.29Å; W216-L218 PolarHBondContact O-N 3.17Å; L218-S221 PolarHBondContact O-N 2.94Å; L218-M222 HydrophobicContact CG-SD 4.37Å; L218-M222 WeakPolarHBondContact O-CG 3.49Å; L218-M222 PolarHBondContact O-N 2.74Å
219	I	90.6	Very high	90.8	Very high	1 Å²	1	83.8 Å²	83.8	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-61.5	-47.1	177	-62.9	174.6	0	0	0	110.1	V200 K207 V214 W216 S221 M222 I223	V200-I219 HydrophobicContact CG1-CG2 4.46Å; K207-I219 HydrophobicContact CB-CD1 4.36Å; K207-I219 HydrophobicContact CD-CD1 3.5Å; V214-I219 HydrophobicContact CG1-CG1 4.45Å; W216-I219 HydrophobicContact CE3-CB 4.29Å; W216-I219 HydrophobicContact CE3-CD1 3.96Å; W216-I219 HydrophobicContact CE3-CG2 4.34Å; W216-I219 HydrophobicContact CZ3-CD1 4.06Å; W216-I219 HydrophobicContact CZ3-CG2 4.3Å; W216-I219 PolarHBondContact O-N 2.79Å; I219-S221 VanDerWaalsContact C-N 3.35Å; I219-S221 PolarHBondContact O-N 2.89Å; I219-M222 PolarHBondContact O-N 2.82Å; I219-I223 HydrophobicContact CG2-CD1 3.85Å; I219-I223 HydrophobicContact CG2-CG1 4.48Å; I219-I223 VanDerWaalsContact O-CG1 3.25Å; I219-I223 WeakPolarHBondContact O-CG1 3.18Å; I219-I223 PolarHBondContact O-N 3.27Å
220	F	93.8	Very high	90.4	Very high	125 Å²	125	82.3 Å²	82.3	55%	0.548	44%	0.439	S	S	.	.	H	α-helix	trans	-63.9	-38	176.7	-67.3	-49.4	0	0	0	112.8	W216 I223 L224	W216-F220 HydrophobicContact CB-CD2 4.18Å; W216-F220 HydrophobicContact CB-CE2 3.84Å; W216-F220 HydrophobicContact CE3-CE2 4.41Å; W216-F220 HydrophobicContact CE3-CZ 4.2Å; W216-F220 HydrophobicContact CG-CE2 4.47Å; W216-F220 WeakPolarHBondContact O-CD2 3.17Å; W216-F220 WeakPolarHBondContact O-CG 3.37Å; W216-F220 PolarHBondContact O-N 3.03Å; F220-I223 HydrophobicContact CD1-CD1 4.37Å; F220-I223 PolarHBondContact O-N 3.46Å; F220-L224 WeakPolarHBondContact O-CB 3.44Å; F220-L224 PolarHBondContact O-N 2.93Å
221	S	92.3	Very high	90.2	Very high	69 Å²	69	86.7 Å²	86.7	48%	0.483	44%	0.436	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175	177.6	0	0	0	0	112	L217 L218 I219 L224 F225	L217-S221 VanDerWaalsContact O-CB 3.29Å; L217-S221 WeakPolarHBondContact O-CB 3.33Å; L217-S221 PolarHBondContact O-N 3.38Å; L218-S221 PolarHBondContact O-N 2.94Å; I219-S221 VanDerWaalsContact C-N 3.35Å; I219-S221 PolarHBondContact O-N 2.89Å; S221-L224 PolarHBondContact O-N 3.31Å; S221-F225 WeakPolarHBondContact O-CB 3.11Å; S221-F225 PolarHBondContact O-N 3.01Å
222	M	90.9	Very high	89.6	Confident	42 Å²	42	80 Å²	80	21%	0.207	42%	0.422	C	S	.	.	H	α-helix	trans	-67.2	-38.1	175.3	-68.7	178.5	72.4	0	0	112.1	V196 A199 V200 L203 L218 I219 F225 I226	V196-M222 HydrophobicContact CG1-CE 4.2Å; A199-M222 HydrophobicContact CB-CE 4.18Å; V200-M222 HydrophobicContact CG2-CB 3.43Å; V200-M222 VanDerWaalsContact CG2-CB 3.43Å; V200-M222 HydrophobicContact CG2-CE 3.82Å; V200-M222 HydrophobicContact CG2-CG 4.43Å; V200-M222 HydrophobicContact CG2-SD 4.31Å; L203-M222 HydrophobicContact CD1-CE 4.13Å; L203-M222 HydrophobicContact CD1-SD 3.79Å; L218-M222 HydrophobicContact CG-SD 4.37Å; L218-M222 WeakPolarHBondContact O-CG 3.49Å; L218-M222 PolarHBondContact O-N 2.74Å; I219-M222 PolarHBondContact O-N 2.82Å; M222-F225 PolarHBondContact O-N 3.11Å; M222-I226 VanDerWaalsContact O-CG1 3.31Å; M222-I226 WeakPolarHBondContact O-CG1 3.44Å; M222-I226 PolarHBondContact O-N 3.27Å
223	I	90.9	Very high	89.1	Confident	55 Å²	55	78.5 Å²	78.5	28%	0.282	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-49.8	172.9	-71.5	167	0	0	0	110.2	V200 I219 F220 F225 I226 F227	V200-I223 HydrophobicContact CG1-CD1 4.24Å; V200-I223 HydrophobicContact CG1-CG1 3.65Å; I219-I223 HydrophobicContact CG2-CD1 3.85Å; I219-I223 HydrophobicContact CG2-CG1 4.48Å; I219-I223 VanDerWaalsContact O-CG1 3.25Å; I219-I223 WeakPolarHBondContact O-CG1 3.18Å; I219-I223 PolarHBondContact O-N 3.27Å; F220-I223 HydrophobicContact CD1-CD1 4.37Å; F220-I223 PolarHBondContact O-N 3.46Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 2.78Å; I223-I226 PolarHBondContact O-N 3.49Å; I223-F227 HydrophobicContact CG2-CD2 3.63Å; I223-F227 HydrophobicContact CG2-CE2 3.48Å; I223-F227 VanDerWaalsContact CG2-CE2 3.48Å; I223-F227 WeakPolarHBondContact O-CD2 3.45Å; I223-F227 PolarHBondContact O-N 3.28Å
224	L	92.3	Very high	88.6	Confident	106 Å²	106	76.5 Å²	76.5	56%	0.555	38%	0.384	S	S	*	.	H	α-helix	trans	-58.7	-42.2	176.5	178.6	62.9	0	0	0	111.3	F220 S221 F227 L228	F220-L224 WeakPolarHBondContact O-CB 3.44Å; F220-L224 PolarHBondContact O-N 2.93Å; S221-L224 PolarHBondContact O-N 3.31Å; L224-F227 PolarHBondContact O-N 3.16Å; L224-L228 HydrophobicContact CD1-CD1 4.49Å; L224-L228 HydrophobicContact CD1-CG 4.38Å; L224-L228 HydrophobicContact CG-CD1 4.18Å; L224-L228 HydrophobicContact CG-CG 4.48Å; L224-L228 WeakPolarHBondContact O-CG 3.42Å; L224-L228 PolarHBondContact O-N 3.45Å
225	F	91	Very high	87.9	Confident	110 Å²	110	77.8 Å²	77.8	48%	0.482	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.3	-175	-113.6	0	0	0	112.4	V196 S221 M222 I223 F227 L228 L229	V196-F225 HydrophobicContact CG1-CD1 4.46Å; S221-F225 WeakPolarHBondContact O-CB 3.11Å; S221-F225 PolarHBondContact O-N 3.01Å; M222-F225 PolarHBondContact O-N 3.11Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 2.78Å; F225-F227 VanDerWaalsContact C-N 3.34Å; F225-F227 PolarHBondContact O-N 3.19Å; F225-L228 PolarHBondContact O-N 2.93Å; F225-L229 HydrophobicContact CD1-CD1 3.74Å; F225-L229 HydrophobicContact CD1-CG 4.41Å; F225-L229 HydrophobicContact CE1-CD1 3.31Å; F225-L229 HydrophobicContact CE1-CG 4.1Å; F225-L229 HydrophobicContact CE2-CD1 4.33Å; F225-L229 HydrophobicContact CE2-CD2 4.47Å; F225-L229 HydrophobicContact CE2-CG 4.25Å; F225-L229 HydrophobicContact CG-CD1 4.42Å; F225-L229 HydrophobicContact CZ-CD1 3.65Å; F225-L229 HydrophobicContact CZ-CD2 4.17Å; F225-L229 HydrophobicContact CZ-CG 4Å; F225-L229 WeakPolarHBondContact O-CB 3.1Å; F225-L229 WeakPolarHBondContact O-CG 3.39Å; F225-L229 PolarHBondContact O-N 2.95Å
226	I	90.5	Very high	86.7	Confident	29 Å²	29	75.7 Å²	75.7	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-45.6	171.9	-68.1	162.1	0	0	0	110.6	V193 V196 A197 V200 M222 I223 L228 L229 G230	V193-I226 HydrophobicContact CG1-CG2 4.24Å; V196-I226 HydrophobicContact CB-CD1 4.36Å; V196-I226 HydrophobicContact CB-CG1 3.89Å; V196-I226 HydrophobicContact CG1-CD1 3.81Å; V196-I226 HydrophobicContact CG1-CG1 3.43Å; V196-I226 VanDerWaalsContact CG1-CG1 3.43Å; A197-I226 HydrophobicContact CB-CD1 4.21Å; V200-I226 HydrophobicContact CB-CD1 4.01Å; V200-I226 HydrophobicContact CG2-CD1 3.52Å; M222-I226 VanDerWaalsContact O-CG1 3.31Å; M222-I226 WeakPolarHBondContact O-CG1 3.44Å; M222-I226 PolarHBondContact O-N 3.27Å; I223-I226 PolarHBondContact O-N 3.49Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 2.84Å; I226-L229 PolarHBondContact O-N 3.25Å; I226-G230 PolarHBondContact O-N 3.27Å
227	F	89.1	Confident	85.6	Confident	147 Å²	147	71.6 Å²	71.6	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-61.6	-40.9	178.2	-84.7	-69.8	0	0	0	112	I223 L224 F225 Y231	I223-F227 HydrophobicContact CG2-CD2 3.63Å; I223-F227 HydrophobicContact CG2-CE2 3.48Å; I223-F227 VanDerWaalsContact CG2-CE2 3.48Å; I223-F227 WeakPolarHBondContact O-CD2 3.45Å; I223-F227 PolarHBondContact O-N 3.28Å; L224-F227 PolarHBondContact O-N 3.16Å; F225-F227 VanDerWaalsContact C-N 3.34Å; F225-F227 PolarHBondContact O-N 3.19Å; F227-Y231 VanDerWaalsContact O-CB 3.24Å; F227-Y231 WeakPolarHBondContact O-CB 3.44Å; F227-Y231 PolarHBondContact O-N 2.98Å
228	L	89.3	Confident	84.5	Confident	101 Å²	101	67.1 Å²	67.1	53%	0.529	35%	0.345	S	S	.	.	H	α-helix	trans	-67.2	-43.3	176.9	-69.8	173.5	0	0	0	112.1	L224 F225 I226 Y231 A232	L224-L228 HydrophobicContact CD1-CD1 4.49Å; L224-L228 HydrophobicContact CD1-CG 4.38Å; L224-L228 HydrophobicContact CG-CD1 4.18Å; L224-L228 HydrophobicContact CG-CG 4.48Å; L224-L228 WeakPolarHBondContact O-CG 3.42Å; L224-L228 PolarHBondContact O-N 3.45Å; F225-L228 PolarHBondContact O-N 2.93Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 2.84Å; L228-Y231 PolarHBondContact O-N 2.72Å; L228-A232 WeakPolarHBondContact O-CB 3.36Å; L228-A232 PolarHBondContact O-N 3.3Å
229	L	85.9	Confident	83.8	Confident	31 Å²	31	65 Å²	65	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-44.1	175.4	-73.9	174.2	0	0	0	111.7	L189 V193 F225 I226 Y231 A232 W233	L189-L229 HydrophobicContact CD1-CD2 3.71Å; V193-L229 HydrophobicContact CG2-CB 3.63Å; F225-L229 HydrophobicContact CD1-CD1 3.74Å; F225-L229 HydrophobicContact CD1-CG 4.41Å; F225-L229 HydrophobicContact CE1-CD1 3.31Å; F225-L229 HydrophobicContact CE1-CG 4.1Å; F225-L229 HydrophobicContact CE2-CD1 4.33Å; F225-L229 HydrophobicContact CE2-CD2 4.47Å; F225-L229 HydrophobicContact CE2-CG 4.25Å; F225-L229 HydrophobicContact CG-CD1 4.42Å; F225-L229 HydrophobicContact CZ-CD1 3.65Å; F225-L229 HydrophobicContact CZ-CD2 4.17Å; F225-L229 HydrophobicContact CZ-CG 4Å; F225-L229 WeakPolarHBondContact O-CB 3.1Å; F225-L229 WeakPolarHBondContact O-CG 3.39Å; F225-L229 PolarHBondContact O-N 2.95Å; I226-L229 PolarHBondContact O-N 3.25Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 3.01Å; L229-A232 PolarHBondContact O-N 3.2Å; L229-W233 WeakPolarHBondContact O-CB 3.46Å; L229-W233 PolarHBondContact O-N 3.16Å
230	G	84.1	Confident	83.4	Confident	20 Å²	20	68 Å²	68	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-38.2	176.2	0	0	0	0	0	112.2	I226 F234	I226-G230 PolarHBondContact O-N 3.27Å; G230-F234 VanDerWaalsContact O-CB 3.25Å; G230-F234 WeakPolarHBondContact O-CB 3.41Å; G230-F234 PolarHBondContact O-N 2.81Å
231	Y	84.5	Confident	83.1	Confident	158 Å²	158	62.3 Å²	62.3	62%	0.62	33%	0.332	S	S	*	.	H	α-helix	trans	-66	-45.1	172.6	177.2	-95.3	0	0	0	111.9	F227 L228 L229 W233 F234 S235	F227-Y231 VanDerWaalsContact O-CB 3.24Å; F227-Y231 WeakPolarHBondContact O-CB 3.44Å; F227-Y231 PolarHBondContact O-N 2.98Å; L228-Y231 PolarHBondContact O-N 2.72Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 3.01Å; Y231-W233 VanDerWaalsContact C-N 3.34Å; Y231-W233 PolarHBondContact O-N 2.81Å; Y231-F234 PolarHBondContact O-N 3.13Å; Y231-S235 VanDerWaalsContact O-CB 3.24Å; Y231-S235 WeakPolarHBondContact O-CB 3.47Å; Y231-S235 PolarHBondContact O-N 3Å
232	A	79.6	Confident	82.8	Confident	54 Å²	54	59.2 Å²	59.2	45%	0.446	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-44.2	177.4	0	0	0	0	0	111.5	L228 L229 S235 S236	L228-A232 WeakPolarHBondContact O-CB 3.36Å; L228-A232 PolarHBondContact O-N 3.3Å; L229-A232 PolarHBondContact O-N 3.2Å; A232-S235 PolarHBondContact O-N 2.81Å; A232-S236 PolarHBondContact O-N 3.41Å
233	W	78.8	Confident	82.6	Confident	38 Å²	38	58.3 Å²	58.3	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-46.7	173.3	178.1	79.2	0	0	0	112.2	E186 L189 W190 L229 Y231 S235 S236 Y237 F571	E186-W233 PolarHBondContact O-NE1 2.89Å; L189-W233 HydrophobicContact CD2-CB 3.76Å; L189-W233 HydrophobicContact CD2-CG 4.48Å; L189-W233 HydrophobicContact CG-CB 4.25Å; W190-W233 HydrophobicContact CD2-CH2 4.48Å; W190-W233 HydrophobicContact CD2-CZ2 4.22Å; W190-W233 AromaticContact CE3-CD2 3.78Å; W190-W233 HydrophobicContact CE3-CD2 3.78Å; W190-W233 AromaticContact CE3-CE2 3.94Å; W190-W233 AromaticContact CE3-CE3 3.82Å; W190-W233 HydrophobicContact CE3-CE3 3.82Å; W190-W233 HydrophobicContact CE3-CG 4.39Å; W190-W233 HydrophobicContact CE3-CH2 4.18Å; W190-W233 HydrophobicContact CE3-CZ2 4.15Å; W190-W233 HydrophobicContact CE3-CZ3 4.02Å; W190-W233 HydrophobicContact CG-CZ2 4.43Å; W190-W233 HydrophobicContact CZ3-CD2 4.36Å; W190-W233 AromaticContact CZ3-CE3 3.92Å; W190-W233 HydrophobicContact CZ3-CE3 3.92Å; W190-W233 HydrophobicContact CZ3-CH2 4.34Å; W190-W233 AromaticContact CZ3-CZ3 3.9Å; W190-W233 HydrophobicContact CZ3-CZ3 3.9Å; L229-W233 WeakPolarHBondContact O-CB 3.46Å; L229-W233 PolarHBondContact O-N 3.16Å; Y231-W233 VanDerWaalsContact C-N 3.34Å; Y231-W233 PolarHBondContact O-N 2.81Å; W233-S235 VanDerWaalsContact C-N 3.31Å; W233-S235 PolarHBondContact O-N 2.95Å; W233-S236 PolarHBondContact O-N 3.09Å; W233-S236 PolarHBondContact O-OG 2.83Å; W233-Y237 HydrophobicContact CD2-CE2 4.37Å; W233-Y237 AromaticContact CE2-CE2 3.7Å; W233-Y237 AromaticContact CZ2-CE2 3.8Å; W233-Y237 HydrophobicContact CZ2-CE2 3.8Å; W233-Y237 AromaticContact NE1-CE2 3.73Å; W233-Y237 WeakPolarHBondContact O-CD2 3.44Å; W233-F571 HydrophobicContact CH2-CD1 4.45Å; W233-F571 AromaticContact CH2-CE1 3.54Å; W233-F571 HydrophobicContact CH2-CE1 3.54Å; W233-F571 AromaticContact CH2-CZ 3.72Å; W233-F571 HydrophobicContact CH2-CZ 3.72Å; W233-F571 HydrophobicContact CZ2-CE1 4.28Å; W233-F571 AromaticContact CZ3-CE1 3.79Å; W233-F571 HydrophobicContact CZ3-CE1 3.79Å; W233-F571 AromaticContact CZ3-CZ 3.77Å; W233-F571 HydrophobicContact CZ3-CZ 3.77Å
234	F	77.7	Confident	82.7	Confident	88 Å²	88	56.1 Å²	56.1	39%	0.386	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-38.4	177.9	179.5	-98.2	0	0	0	112.3	G230 Y231 S236 Y237 T238 P570 F571	G230-F234 VanDerWaalsContact O-CB 3.25Å; G230-F234 WeakPolarHBondContact O-CB 3.41Å; G230-F234 PolarHBondContact O-N 2.81Å; Y231-F234 PolarHBondContact O-N 3.13Å; F234-S236 VanDerWaalsContact C-N 3.29Å; F234-S236 PolarHBondContact O-N 3.06Å; F234-Y237 PolarHBondContact O-N 2.98Å; F234-T238 HydrophobicContact CE1-CG2 4.29Å; F234-P570 HydrophobicContact CE2-CG 3.5Å; F234-P570 VanDerWaalsContact CE2-CG 3.5Å; F234-P570 HydrophobicContact CZ-CG 3.74Å; F234-F571 HydrophobicContact CD2-CE1 4.38Å; F234-F571 HydrophobicContact CD2-CZ 4.04Å; F234-F571 HydrophobicContact CE2-CZ 4.28Å
235	S	75	Confident	82.8	Confident	46 Å²	46	51 Å²	51	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-68.2	-25.2	-178.6	-169	0	0	0	0	112.8	Y231 A232 W233 Y237 T238	Y231-S235 VanDerWaalsContact O-CB 3.24Å; Y231-S235 WeakPolarHBondContact O-CB 3.47Å; Y231-S235 PolarHBondContact O-N 3Å; A232-S235 PolarHBondContact O-N 2.81Å; W233-S235 VanDerWaalsContact C-N 3.31Å; W233-S235 PolarHBondContact O-N 2.95Å; S235-Y237 VanDerWaalsContact C-N 3.32Å; S235-Y237 PolarHBondContact O-N 2.72Å; S235-T238 PolarHBondContact O-N 3.11Å; S235-T238 PolarHBondContact O-OG1 3.36Å
236	S	68.4	Low	83	Confident	36 Å²	36	45.8 Å²	45.8	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-35.4	177.9	71.9	0	0	0	0	112.1	E186 A232 W233 F234 T238 S239	E186-S236 VanDerWaalsContact OE1-CB 3.23Å; E186-S236 WeakPolarHBondContact OE1-CB 3.45Å; E186-S236 PolarHBondContact OE1-OG 3.19Å; A232-S236 PolarHBondContact O-N 3.41Å; W233-S236 PolarHBondContact O-N 3.09Å; W233-S236 PolarHBondContact O-OG 2.83Å; F234-S236 VanDerWaalsContact C-N 3.29Å; F234-S236 PolarHBondContact O-N 3.06Å; S236-T238 PolarHBondContact O-N 2.79Å; S236-S239 WeakPolarHBondContact O-CB 3.34Å; S236-S239 PolarHBondContact O-N 2.83Å
237	Y	67.9	Low	83.3	Confident	25 Å²	25	44.4 Å²	44.4	10%	0.098	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.1	174.7	-67.3	-76.3	0	0	0	114.6	E186 W233 F234 S235 S239 Y242 W243 F571 L573	E186-Y237 PolarHBondContact OE2-OH 3.25Å; W233-Y237 HydrophobicContact CD2-CE2 4.37Å; W233-Y237 AromaticContact CE2-CE2 3.7Å; W233-Y237 AromaticContact CZ2-CE2 3.8Å; W233-Y237 HydrophobicContact CZ2-CE2 3.8Å; W233-Y237 AromaticContact NE1-CE2 3.73Å; W233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F234-Y237 PolarHBondContact O-N 2.98Å; S235-Y237 VanDerWaalsContact C-N 3.32Å; S235-Y237 PolarHBondContact O-N 2.72Å; Y237-S239 VanDerWaalsContact C-N 3.3Å; Y237-Y242 HydrophobicContact CD1-CD1 4.41Å; Y237-Y242 HydrophobicContact CD1-CD2 4.34Å; Y237-Y242 HydrophobicContact CD1-CE1 4.21Å; Y237-Y242 HydrophobicContact CD1-CE2 4.11Å; Y237-Y242 HydrophobicContact CD1-CG 4.48Å; Y237-Y242 HydrophobicContact CE1-CE1 4.27Å; Y237-Y242 HydrophobicContact CE1-CE2 4.5Å; Y237-W243 PolarHBondContact O-NE1 3.3Å; Y237-F571 HydrophobicContact CD1-CD1 4.14Å; Y237-F571 AromaticContact CD2-CD1 3.79Å; Y237-F571 HydrophobicContact CD2-CD1 3.79Å; Y237-F571 AromaticContact CD2-CE1 3.79Å; Y237-F571 HydrophobicContact CD2-CE1 3.79Å; Y237-F571 HydrophobicContact CE2-CD1 4.3Å; Y237-F571 HydrophobicContact CE2-CE1 4.35Å; Y237-F571 AromaticContact CG-CD1 3.7Å; Y237-F571 HydrophobicContact CG-CD1 3.7Å; Y237-F571 HydrophobicContact CG-CE1 4.1Å; Y237-L573 HydrophobicContact CD1-CD1 4.39Å; Y237-L573 HydrophobicContact CE1-CD1 4.25Å
238	T	70.8	Confident	83.7	Confident	46 Å²	46	37.4 Å²	37.4	28%	0.282	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.5	174	68.9	0	0	0	0	113.3	F234 S235 S236 W243	F234-T238 HydrophobicContact CE1-CG2 4.29Å; S235-T238 PolarHBondContact O-N 3.11Å; S235-T238 PolarHBondContact O-OG1 3.36Å; S236-T238 PolarHBondContact O-N 2.79Å; T238-W243 VanDerWaalsContact CB-CH2 3.44Å; T238-W243 HydrophobicContact CG2-CH2 3.53Å; T238-W243 HydrophobicContact CG2-CZ2 3.65Å; T238-W243 HydrophobicContact CG2-CZ3 4.43Å
239	S	77.3	Confident	84.1	Confident	39 Å²	39	35.6 Å²	35.6	27%	0.273	19%	0.191	S	C	.	.	S	Bend	trans	-68.9	147.7	177.5	176.3	0	0	0	0	112.5	S236 Y237 L241 Y242 W243	S236-S239 WeakPolarHBondContact O-CB 3.34Å; S236-S239 PolarHBondContact O-N 2.83Å; Y237-S239 VanDerWaalsContact C-N 3.3Å; S239-L241 PolarHBondContact O-N 3.32Å; S239-L241 VanDerWaalsContact O-N 3.12Å; S239-L241 PolarHBondContact OG-N 2.84Å; S239-Y242 PolarHBondContact O-N 2.95Å; S239-Y242 VanDerWaalsContact O-N 3.12Å; S239-W243 PolarHBondContact O-N 2.72Å
240	P	81.9	Confident	84.6	Confident	63 Å²	63	34.5 Å²	34.5	41%	0.409	19%	0.187	S	C	.	.	H	α-helix	trans	-54.7	-25.7	170.5	-24.5	34.1	0	0	0	113.9	Y242 W243 D244 C245	P240-Y242 PolarHBondContact O-N 3.12Å; P240-W243 PolarHBondContact O-N 2.63Å; P240-D244 WeakPolarHBondContact O-CA 3.43Å; P240-D244 WeakPolarHBondContact O-CB 3.34Å; P240-D244 PolarHBondContact O-N 2.76Å; P240-C245 PolarHBondContact O-N 3.28Å
241	L	86	Confident	85.2	Confident	6 Å²	6	38 Å²	38	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-53.8	-52.3	172.7	173.7	59.8	0	0	0	111.6	S172 S239 C245 P257	S172-L241 WeakPolarHBondContact O-CD1 3.47Å; S172-L241 PolarHBondContact OG-N 2.93Å; S239-L241 PolarHBondContact O-N 3.32Å; S239-L241 VanDerWaalsContact O-N 3.12Å; S239-L241 PolarHBondContact OG-N 2.84Å; L241-C245 HydrophobicContact CD1-CB 4.35Å; L241-C245 VanDerWaalsContact O-CB 3.3Å; L241-C245 WeakPolarHBondContact O-CB 3.3Å; L241-P257 HydrophobicContact CD1-CB 3.57Å; L241-P257 HydrophobicContact CD1-CG 4.36Å; L241-P257 HydrophobicContact CG-CB 3.84Å; L241-P257 HydrophobicContact CG-CG 4.37Å; L241-P257 WeakPolarHBondContact O-CB 3.42Å
242	Y	85.8	Confident	85.8	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-77.7	-26.4	-176.4	-68	-75.5	0	0	0	113.2	Y237 S239 P240 Q256 P257 L573	Y237-Y242 HydrophobicContact CD1-CD1 4.41Å; Y237-Y242 HydrophobicContact CD1-CD2 4.34Å; Y237-Y242 HydrophobicContact CD1-CE1 4.21Å; Y237-Y242 HydrophobicContact CD1-CE2 4.11Å; Y237-Y242 HydrophobicContact CD1-CG 4.48Å; Y237-Y242 HydrophobicContact CE1-CE1 4.27Å; Y237-Y242 HydrophobicContact CE1-CE2 4.5Å; S239-Y242 PolarHBondContact O-N 2.95Å; S239-Y242 VanDerWaalsContact O-N 3.12Å; P240-Y242 PolarHBondContact O-N 3.12Å; Y242-Q256 VanDerWaalsContact O-CD 3.31Å; Y242-Q256 WeakPolarHBondContact O-CG 3.35Å; Y242-Q256 PolarHBondContact O-NE2 3.36Å; Y242-P257 HydrophobicContact CD1-CG 4.09Å; Y242-P257 HydrophobicContact CE1-CG 4.06Å; Y242-L573 HydrophobicContact CD1-CG 4.34Å; Y242-L573 HydrophobicContact CE1-CD2 4.04Å; Y242-L573 HydrophobicContact CE1-CG 4.29Å
243	W	88.3	Confident	86.6	Confident	23 Å²	23	33.7 Å²	33.7	9%	0.087	18%	0.175	C	C	.	.	H	α-helix	trans	-104.9	-25.4	-170.9	-72.1	-6.3	0	0	0	115.1	Y237 T238 S239 P240 M560 K563 P570	Y237-W243 PolarHBondContact O-NE1 3.3Å; T238-W243 VanDerWaalsContact CB-CH2 3.44Å; T238-W243 HydrophobicContact CG2-CH2 3.53Å; T238-W243 HydrophobicContact CG2-CZ2 3.65Å; T238-W243 HydrophobicContact CG2-CZ3 4.43Å; S239-W243 PolarHBondContact O-N 2.72Å; P240-W243 PolarHBondContact O-N 2.63Å; W243-M560 HydrophobicContact CH2-SD 4.35Å; W243-K563 HydrophobicContact CB-CD 3.97Å; W243-K563 HydrophobicContact CB-CG 4.5Å; W243-K563 HydrophobicContact CD2-CG 4.26Å; W243-K563 HydrophobicContact CE3-CD 4.4Å; W243-K563 HydrophobicContact CE3-CG 4.23Å; W243-K563 HydrophobicContact CG-CD 4.42Å; W243-K563 HydrophobicContact CG-CG 4.43Å; W243-P570 HydrophobicContact CZ2-CB 4.07Å; W243-P570 PolarHBondContact NE1-O 2.9Å
244	D	92.5	Very high	87.4	Confident	9 Å²	9	32 Å²	32	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-119.8	-24.6	-172.9	-64.8	-55.5	0	0	0	113.2	L108 M165 F167 P240 L246 K563	L108-D244 WeakPolarHBondContact CB-OD1 3.3Å; L108-D244 PolarHBondContact N-OD1 3.29Å; M165-D244 VanDerWaalsContact CE-O 3.3Å; M165-D244 WeakPolarHBondContact CE-O 3.33Å; F167-D244 HydrophobicContact CD1-CB 3.9Å; F167-D244 HydrophobicContact CE1-CB 4.08Å; P240-D244 WeakPolarHBondContact O-CA 3.43Å; P240-D244 WeakPolarHBondContact O-CB 3.34Å; P240-D244 PolarHBondContact O-N 2.76Å; D244-L246 PolarHBondContact O-N 3.36Å; D244-K563 IonicContact OD1-NZ 3.69Å; D244-K563 PolarHBondContact OD1-NZ 2.9Å; D244-K563 IonicContact OD2-NZ 2.66Å; D244-K563 PolarHBondContact OD2-NZ 2.94Å
245	C	93.7	Very high	88.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-89	90	175.8	-51.6	0	0	0	0	110.5	C173 P240 L241 P257 M258	C173-C245 WeakPolarHBondContact CA-SG 3.33Å; C173-C245 HydrophobicContact CB-CB 3.9Å; C173-C245 WeakPolarHBondContact CB-SG 3.42Å; C173-C245 WeakPolarHBondContact SG-CB 3.43Å; C173-C245 CovalentContact SG-SG 2.04Å; C173-C245 PolarHBondContact SG-SG 3Å; P240-C245 PolarHBondContact O-N 3.28Å; L241-C245 HydrophobicContact CD1-CB 4.35Å; L241-C245 VanDerWaalsContact O-CB 3.3Å; L241-C245 WeakPolarHBondContact O-CB 3.3Å; C245-P257 CarbonylContact O-C 3.52Å; C245-P257 VanDerWaalsContact O-CA 3.32Å; C245-P257 WeakPolarHBondContact O-CA 3.44Å; C245-M258 HydrophobicContact CB-CG 4.06Å; C245-M258 HydrophobicContact CB-SD 4.29Å; C245-M258 PolarHBondContact O-N 2.77Å
246	L	95.4	Very high	89	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.			trans	-144.2	158.3	-178.8	68.4	83.5	0	0	0	112.9	L108 P166 D244 M248 I253 E255 Q256 P564	L108-L246 HydrophobicContact CD1-CD2 3.71Å; L108-L246 HydrophobicContact CD1-CG 4.06Å; P166-L246 HydrophobicContact CG-CD1 3.65Å; P166-L246 HydrophobicContact CG-CG 4.42Å; D244-L246 PolarHBondContact O-N 3.36Å; L246-M248 HydrophobicContact CD1-CG 3.46Å; L246-M248 VanDerWaalsContact CD1-CG 3.46Å; L246-M248 HydrophobicContact CD1-SD 4.07Å; L246-I253 HydrophobicContact CB-CG2 4.24Å; L246-I253 HydrophobicContact CD1-CG1 4.39Å; L246-I253 HydrophobicContact CD1-CG2 4.35Å; L246-I253 HydrophobicContact CD2-CD1 4.42Å; L246-E255 CarbonylContact C-O 3.5Å; L246-E255 VanDerWaalsContact CA-O 3.25Å; L246-E255 WeakPolarHBondContact CA-O 3.34Å; L246-E255 WeakPolarHBondContact CB-O 3.28Å; L246-Q256 HydrophobicContact CB-CB 4.09Å; L246-Q256 HydrophobicContact CB-CG 3.97Å; L246-P564 HydrophobicContact CD2-CB 3.92Å; L246-P564 HydrophobicContact CD2-CG 3.49Å; L246-P564 VanDerWaalsContact CD2-CG 3.49Å
247	L	97.4	Very high	90.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144	170.7	-67.5	173.2	0	0	0	110.8	I253 T254 E255 M258 A263	L247-I253 WeakPolarHBondContact O-CA 3.42Å; L247-T254 PolarHBondContact O-N 2.95Å; L247-T254 PolarHBondContact O-OG1 2.82Å; L247-E255 HydrophobicContact CB-CB 4.22Å; L247-E255 HydrophobicContact CD1-CB 4.42Å; L247-E255 WeakPolarHBondContact CD1-OE2 3.37Å; L247-E255 PolarHBondContact N-O 3.11Å; L247-M258 HydrophobicContact CD1-CE 4.45Å; L247-M258 HydrophobicContact CD2-CE 3.69Å; L247-M258 HydrophobicContact CG-CB 4.13Å; L247-M258 HydrophobicContact CG-CE 3.98Å; L247-A263 HydrophobicContact CD1-CB 4.11Å; L247-A263 HydrophobicContact CD2-CB 4.38Å
248	M	97.6	Very high	91.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.4	175.9	-61.7	-178.7	71.1	0	0	111	L142 Y162 Y163 G164 P166 L246 H251 E252 I253	L142-M248 HydrophobicContact CD1-CE 4.37Å; L142-M248 HydrophobicContact CD1-SD 4.11Å; L142-M248 HydrophobicContact CD2-SD 4.38Å; Y162-M248 HydrophobicContact CD1-CB 4.41Å; Y162-M248 HydrophobicContact CE1-CB 3.91Å; Y163-M248 CarbonylContact C-O 3.56Å; Y163-M248 VanDerWaalsContact CA-O 3.28Å; Y163-M248 WeakPolarHBondContact CA-O 3.41Å; G164-M248 PolarHBondContact N-O 2.94Å; G164-M248 PolarHBondContact O-N 3.13Å; P166-M248 HydrophobicContact CB-SD 4.04Å; P166-M248 HydrophobicContact CG-CG 4.32Å; P166-M248 HydrophobicContact CG-SD 3.69Å; L246-M248 HydrophobicContact CD1-CG 3.46Å; L246-M248 VanDerWaalsContact CD1-CG 3.46Å; L246-M248 HydrophobicContact CD1-SD 4.07Å; M248-H251 WeakPolarHBondContact CE-O 3.39Å; M248-E252 CarbonylContact C-O 3.58Å; M248-E252 WeakPolarHBondContact CA-O 3.38Å; M248-I253 HydrophobicContact CG-CG1 4.22Å
249	R	97.8	Very high	92.2	Very high	63 Å²	63	22.7 Å²	22.7	24%	0.238	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.3	163.3	-169.6	-178.9	-71.5	112.8	2.3	108.3	Y161 Y162 Y163 H251 E252 T254 E270 E577	Y161-R249 HydrophobicContact CE2-CG 4.24Å; Y162-R249 WeakPolarHBondContact O-CA 3.37Å; Y163-R249 HydrophobicContact CD2-CB 4.08Å; Y163-R249 HydrophobicContact CD2-CG 4.25Å; R249-H251 PolarHBondContact O-N 3.28Å; R249-E252 PolarHBondContact N-O 3.02Å; R249-E252 PolarHBondContact O-N 2.75Å; R249-E252 VanDerWaalsContact O-N 3.1Å; R249-T254 HydrophobicContact CB-CG2 3.65Å; R249-E270 IonicContact CZ-OE1 2.59Å; R249-E270 VanDerWaalsContact CZ-OE1 3.32Å; R249-E270 IonicContact NE-OE1 2.61Å; R249-E270 PolarHBondContact NE-OE1 3Å; R249-E270 IonicContact NH2-OE1 2.69Å; R249-E270 PolarHBondContact NH2-OE1 3.35Å; R249-E577 IonicContact CZ-OE1 2.77Å; R249-E577 IonicContact NH1-OE1 2.7Å; R249-E577 IonicContact NH2-OE1 3.15Å; R249-E577 PolarHBondContact NH2-OE1 2.77Å; R249-E577 IonicContact NH2-OE2 3.4Å; R249-E577 PolarHBondContact NH2-OE2 3.07Å; R249-E577 VanDerWaalsContact NH2-OE2 3.12Å
250	G	97	Very high	92.8	Very high	7 Å²	7	20.9 Å²	20.9	7%	0.072	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-131.4	-164.2	0	0	0	0	0	110.6	H153 Y155 Y162 E252	H153-G250 PolarHBondContact NE2-O 2.68Å; Y155-G250 VanDerWaalsContact OH-CA 3.3Å; Y155-G250 WeakPolarHBondContact OH-CA 3.46Å; Y162-G250 PolarHBondContact O-N 2.72Å; G250-E252 VanDerWaalsContact C-N 3.32Å
251	H	96.6	Very high	93.1	Very high	95 Å²	95	21.8 Å²	21.8	44%	0.44	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.4	177.3	-63.1	116.6	0	0	0	114.4	H150 H153 Y155 M248 R249	H150-H251 PolarHBondContact CE1-O 3.41Å; H150-H251 AromaticContact CG-CD2 3.96Å; H150-H251 AromaticContact ND1-CD2 3.43Å; H150-H251 PolarHBondContact ND1-CD2 2.78Å; H150-H251 AromaticContact ND1-CG 3.92Å; H153-H251 AromaticContact CE1-CD2 3.8Å; H153-H251 AromaticContact CG-CD2 3.92Å; H153-H251 AromaticContact ND1-CD2 3.68Å; H153-H251 AromaticContact ND1-NE2 3.64Å; Y155-H251 AromaticContact CD2-CE1 3.34Å; Y155-H251 WeakPolarHBondContact CD2-CE1 3.29Å; Y155-H251 AromaticContact CD2-ND1 3.9Å; Y155-H251 AromaticContact CD2-NE2 3.61Å; Y155-H251 AromaticContact CE2-CE1 3.9Å; M248-H251 WeakPolarHBondContact CE-O 3.39Å; R249-H251 PolarHBondContact O-N 3.28Å
252	E	96.3	Very high	93.3	Very high	103 Å²	103	23.7 Å²	23.7	48%	0.481	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.7	-173.7	-173.7	172.7	-168.6	0	0	110.8	M248 R249 G250 T254 K576	M248-E252 CarbonylContact C-O 3.58Å; M248-E252 WeakPolarHBondContact CA-O 3.38Å; R249-E252 PolarHBondContact N-O 3.02Å; R249-E252 PolarHBondContact O-N 2.75Å; R249-E252 VanDerWaalsContact O-N 3.1Å; G250-E252 VanDerWaalsContact C-N 3.32Å; E252-T254 PolarHBondContact O-N 2.84Å; E252-K576 IonicContact OE1-NZ 3.71Å; E252-K576 PolarHBondContact OE1-NZ 3.18Å
253	I	96.8	Very high	93.7	Very high	18 Å²	18	23.6 Å²	23.6	9%	0.092	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.8	169.7	-57.2	164.2	0	0	0	107.3	L246 L247 M248 Q256 P564 C566	L246-I253 HydrophobicContact CB-CG2 4.24Å; L246-I253 HydrophobicContact CD1-CG1 4.39Å; L246-I253 HydrophobicContact CD1-CG2 4.35Å; L246-I253 HydrophobicContact CD2-CD1 4.42Å; L247-I253 WeakPolarHBondContact O-CA 3.42Å; M248-I253 HydrophobicContact CG-CG1 4.22Å; I253-Q256 HydrophobicContact CG2-CB 3.95Å; I253-P564 HydrophobicContact CD1-CB 3.7Å; I253-C566 HydrophobicContact CB-CB 4.07Å; I253-C566 HydrophobicContact CG2-CB 4.02Å
254	T	95.7	Very high	94	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-27.2	-177.3	56.2	0	0	0	0	112.5	L247 R249 E252 K576 E577	L247-T254 PolarHBondContact O-N 2.95Å; L247-T254 PolarHBondContact O-OG1 2.82Å; R249-T254 HydrophobicContact CB-CG2 3.65Å; E252-T254 PolarHBondContact O-N 2.84Å; T254-K576 WeakPolarHBondContact O-CB 3.34Å; T254-K576 PolarHBondContact O-N 3.3Å; T254-E577 WeakPolarHBondContact CB-OE1 2.88Å; T254-E577 PolarHBondContact OG1-OE1 3.34Å
255	E	94	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	126.7	178	-166.5	-173.3	-148.4	0	0	111.4	L246 L247 M258 K259 R262 C574 E577	L246-E255 CarbonylContact C-O 3.5Å; L246-E255 VanDerWaalsContact CA-O 3.25Å; L246-E255 WeakPolarHBondContact CA-O 3.34Å; L246-E255 WeakPolarHBondContact CB-O 3.28Å; L247-E255 HydrophobicContact CB-CB 4.22Å; L247-E255 HydrophobicContact CD1-CB 4.42Å; L247-E255 WeakPolarHBondContact CD1-OE2 3.37Å; L247-E255 PolarHBondContact N-O 3.11Å; E255-M258 VanDerWaalsContact OE2-CA 3.3Å; E255-M258 WeakPolarHBondContact OE2-CA 3.38Å; E255-K259 VanDerWaalsContact OE1-CB 3.25Å; E255-K259 WeakPolarHBondContact OE1-CB 3.2Å; E255-K259 WeakPolarHBondContact OE1-CD 3.19Å; E255-K259 WeakPolarHBondContact OE1-CG 3.28Å; E255-K259 PolarHBondContact OE1-N 3.46Å; E255-K259 VanDerWaalsContact OE1-N 3.11Å; E255-K259 PolarHBondContact OE2-N 2.88Å; E255-R262 VanDerWaalsContact CD-NH2 3.27Å; E255-R262 IonicContact OE1-CZ 3.82Å; E255-R262 IonicContact OE1-NE 3.94Å; E255-R262 PolarHBondContact OE1-NE 3.29Å; E255-R262 VanDerWaalsContact OE1-NE 3.08Å; E255-R262 IonicContact OE1-NH2 3.12Å; E255-R262 PolarHBondContact OE1-NH2 3.12Å; E255-R262 IonicContact OE2-NE 3.3Å; E255-C574 WeakPolarHBondContact CA-O 3.31Å; E255-E577 HydrophobicContact CB-CG 4.24Å
256	Q	92.7	Very high	94.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	123.5	175.1	-168.2	171.2	17.4	0	0	108.9	Y242 L246 I253 P564 C566 C572 L573 C574	Y242-Q256 VanDerWaalsContact O-CD 3.31Å; Y242-Q256 WeakPolarHBondContact O-CG 3.35Å; Y242-Q256 PolarHBondContact O-NE2 3.36Å; L246-Q256 HydrophobicContact CB-CB 4.09Å; L246-Q256 HydrophobicContact CB-CG 3.97Å; I253-Q256 HydrophobicContact CG2-CB 3.95Å; Q256-P564 PolarHBondContact NE2-O 3.39Å; Q256-C566 WeakPolarHBondContact CB-SG 3.29Å; Q256-C566 PolarHBondContact OE1-SG 3.39Å; Q256-C572 HydrophobicContact CG-CB 4.2Å; Q256-L573 CarbonylContact O-C 3.09Å; Q256-L573 VanDerWaalsContact O-CA 3.25Å; Q256-L573 WeakPolarHBondContact O-CA 3.24Å; Q256-C574 PolarHBondContact N-O 3.44Å; Q256-C574 PolarHBondContact O-N 2.88Å; Q256-C574 VanDerWaalsContact O-O 3.13Å
257	P	90.1	Very high	94.4	Very high	4 Å²	4	26 Å²	26	3%	0.026	13%	0.126	C	C	.	.	S	Bend	cis	-66.8	144.5	-11.5	30	-33.6	0	0	0	111.5	R179 L241 Y242 C245	R179-P257 PolarHBondContact NH1-O 3.01Å; R179-P257 PolarHBondContact NH2-O 3.33Å; R179-P257 VanDerWaalsContact NH2-O 3.1Å; L241-P257 HydrophobicContact CD1-CB 3.57Å; L241-P257 HydrophobicContact CD1-CG 4.36Å; L241-P257 HydrophobicContact CG-CB 3.84Å; L241-P257 HydrophobicContact CG-CG 4.37Å; L241-P257 WeakPolarHBondContact O-CB 3.42Å; Y242-P257 HydrophobicContact CD1-CG 4.09Å; Y242-P257 HydrophobicContact CE1-CG 4.06Å; C245-P257 CarbonylContact O-C 3.52Å; C245-P257 VanDerWaalsContact O-CA 3.32Å; C245-P257 WeakPolarHBondContact O-CA 3.44Å
258	M	91.3	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.128	C	C	.	.			trans	-61.3	145.9	179.7	83.3	-170.4	-68.4	0	0	111.9	M165 L169 R179 C245 L247 E255 A260 A263 L290	M165-M258 HydrophobicContact CE-SD 4.12Å; M165-M258 HydrophobicContact SD-SD 4.06Å; L169-M258 HydrophobicContact CD2-CE 4.46Å; L169-M258 HydrophobicContact CD2-SD 4.09Å; R179-M258 PolarHBondContact NH1-O 2.73Å; C245-M258 HydrophobicContact CB-CG 4.06Å; C245-M258 HydrophobicContact CB-SD 4.29Å; C245-M258 PolarHBondContact O-N 2.77Å; L247-M258 HydrophobicContact CD1-CE 4.45Å; L247-M258 HydrophobicContact CD2-CE 3.69Å; L247-M258 HydrophobicContact CG-CB 4.13Å; L247-M258 HydrophobicContact CG-CE 3.98Å; E255-M258 VanDerWaalsContact OE2-CA 3.3Å; E255-M258 WeakPolarHBondContact OE2-CA 3.38Å; M258-A260 HydrophobicContact CG-CB 4.35Å; M258-A260 PolarHBondContact O-N 3.38Å; M258-A263 HydrophobicContact CE-CB 3.64Å; M258-L290 HydrophobicContact CE-CD1 3.82Å
259	K	91.1	Very high	94.5	Very high	39 Å²	39	33.1 Å²	33.1	17%	0.17	16%	0.158	C	C	.	.			trans	-91.3	92.8	165.2	-71.2	168.8	-179.7	159.9	0	107.1	E255 E261 R262 A263 D575 E578	E255-K259 VanDerWaalsContact OE1-CB 3.25Å; E255-K259 WeakPolarHBondContact OE1-CB 3.2Å; E255-K259 WeakPolarHBondContact OE1-CD 3.19Å; E255-K259 WeakPolarHBondContact OE1-CG 3.28Å; E255-K259 PolarHBondContact OE1-N 3.46Å; E255-K259 VanDerWaalsContact OE1-N 3.11Å; E255-K259 PolarHBondContact OE2-N 2.88Å; K259-E261 VanDerWaalsContact C-N 3.26Å; K259-E261 PolarHBondContact O-N 2.93Å; K259-R262 HydrophobicContact CB-CG 3.73Å; K259-R262 VanDerWaalsContact O-CG 3.23Å; K259-R262 WeakPolarHBondContact O-CG 3.47Å; K259-R262 PolarHBondContact O-N 3.24Å; K259-A263 PolarHBondContact O-N 3.07Å; K259-D575 IonicContact NZ-OD2 3.95Å; K259-D575 PolarHBondContact NZ-OD2 2.68Å; K259-E578 IonicContact NZ-OE1 3.37Å; K259-E578 PolarHBondContact NZ-OE1 2.9Å
260	A	91.1	Very high	94.6	Very high	2 Å²	2	31 Å²	31	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-34.2	-166.7	0	0	0	0	0	113	L169 W174 M258 R262 A263 P297	L169-A260 HydrophobicContact CD2-CB 4.47Å; W174-A260 HydrophobicContact CB-CB 3.98Å; W174-A260 HydrophobicContact CG-CB 4.43Å; M258-A260 HydrophobicContact CG-CB 4.35Å; M258-A260 PolarHBondContact O-N 3.38Å; A260-R262 VanDerWaalsContact C-N 3.29Å; A260-R262 PolarHBondContact O-N 2.91Å; A260-A263 WeakPolarHBondContact O-CB 3.45Å; A260-A263 PolarHBondContact O-N 3.06Å; A260-P297 HydrophobicContact CB-CB 3.6Å; A260-P297 HydrophobicContact CB-CG 3.97Å
261	E	87.9	Confident	94.6	Very high	81 Å²	81	30.7 Å²	30.7	38%	0.379	15%	0.147	S	C	.	.	H	α-helix	trans	-61.6	-30.2	178.4	63	-77.9	177.1	0	0	113.7	K259 T299	K259-E261 VanDerWaalsContact C-N 3.26Å; K259-E261 PolarHBondContact O-N 2.93Å; E261-T299 WeakPolarHBondContact O-CG2 3.48Å
262	R	90.1	Very high	94.7	Very high	47 Å²	47	28.6 Å²	28.6	18%	0.177	14%	0.139	C	C	.	.	H	α-helix	trans	-92.7	-20.2	176.9	68.3	177.7	-172.6	176.8	3.4	113.5	E255 K259 A260 G264 S265 I266 D575 E578	E255-R262 VanDerWaalsContact CD-NH2 3.27Å; E255-R262 IonicContact OE1-CZ 3.82Å; E255-R262 IonicContact OE1-NE 3.94Å; E255-R262 PolarHBondContact OE1-NE 3.29Å; E255-R262 VanDerWaalsContact OE1-NE 3.08Å; E255-R262 IonicContact OE1-NH2 3.12Å; E255-R262 PolarHBondContact OE1-NH2 3.12Å; E255-R262 IonicContact OE2-NE 3.3Å; K259-R262 HydrophobicContact CB-CG 3.73Å; K259-R262 VanDerWaalsContact O-CG 3.23Å; K259-R262 WeakPolarHBondContact O-CG 3.47Å; K259-R262 PolarHBondContact O-N 3.24Å; A260-R262 VanDerWaalsContact C-N 3.29Å; A260-R262 PolarHBondContact O-N 2.91Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.35Å; R262-S265 PolarHBondContact O-N 3.34Å; R262-S265 VanDerWaalsContact O-N 3.11Å; R262-S265 PolarHBondContact O-OG 3.47Å; R262-I266 HydrophobicContact CG-CD1 4.11Å; R262-I266 PolarHBondContact O-N 3.45Å; R262-I266 VanDerWaalsContact O-N 3.17Å; R262-D575 IonicContact CZ-OD1 2.7Å; R262-D575 IonicContact CZ-OD2 3.48Å; R262-D575 IonicContact NH1-OD2 2.72Å; R262-D575 IonicContact NH2-OD1 3Å; R262-D575 PolarHBondContact NH2-OD1 3.4Å; R262-D575 IonicContact NH2-OD2 3.76Å; R262-D575 PolarHBondContact NH2-OD2 3.45Å; R262-E578 VanDerWaalsContact NH1-CG 3.26Å; R262-E578 IonicContact NH1-OE1 3.87Å
263	A	94.3	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-44	-172.6	0	0	0	0	0	112.4	L247 M258 K259 A260 S265 I266 M267 L290	L247-A263 HydrophobicContact CD1-CB 4.11Å; L247-A263 HydrophobicContact CD2-CB 4.38Å; M258-A263 HydrophobicContact CE-CB 3.64Å; K259-A263 PolarHBondContact O-N 3.07Å; A260-A263 WeakPolarHBondContact O-CB 3.45Å; A260-A263 PolarHBondContact O-N 3.06Å; A263-S265 PolarHBondContact O-N 2.76Å; A263-I266 PolarHBondContact O-N 3.4Å; A263-M267 VanDerWaalsContact O-CG 3.25Å; A263-M267 WeakPolarHBondContact O-CG 3.42Å; A263-M267 PolarHBondContact O-N 2.95Å; A263-L290 HydrophobicContact CB-CD1 4.03Å
264	G	95.3	Very high	94.9	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-45.8	177.5	0	0	0	0	0	112.9	R262 I266 M267 V268	R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.35Å; G264-I266 VanDerWaalsContact C-N 3.34Å; G264-I266 PolarHBondContact O-N 3.08Å; G264-M267 WeakPolarHBondContact O-CB 3.44Å; G264-M267 PolarHBondContact O-N 3.26Å; G264-V268 PolarHBondContact O-N 3.32Å
265	S	95.1	Very high	95.1	Very high	52 Å²	52	24.8 Å²	24.8	36%	0.364	13%	0.125	S	C	.	.	H	α-helix	trans	-62.4	-39.3	178.5	78	0	0	0	0	112.9	R262 A263 V268 K269	R262-S265 PolarHBondContact O-N 3.34Å; R262-S265 VanDerWaalsContact O-N 3.11Å; R262-S265 PolarHBondContact O-OG 3.47Å; A263-S265 PolarHBondContact O-N 2.76Å; S265-V268 PolarHBondContact O-N 3.36Å; S265-K269 WeakPolarHBondContact O-CG 3.38Å; S265-K269 PolarHBondContact O-N 3.35Å
266	I	96.8	Very high	95.3	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.128	15%	0.147	C	C	.	.	H	α-helix	trans	-70.8	-41.6	177.8	-55	166.9	0	0	0	109.8	Y163 R262 A263 G264 V268 K269 E270 E577	Y163-I266 HydrophobicContact CE1-CB 4.26Å; Y163-I266 HydrophobicContact CE1-CG2 3.85Å; Y163-I266 HydrophobicContact CE2-CG2 4.16Å; Y163-I266 VanDerWaalsContact CZ-CG2 3.42Å; Y163-I266 WeakPolarHBondContact OH-CB 3.4Å; Y163-I266 WeakPolarHBondContact OH-CG2 3.06Å; R262-I266 HydrophobicContact CG-CD1 4.11Å; R262-I266 PolarHBondContact O-N 3.45Å; R262-I266 VanDerWaalsContact O-N 3.17Å; A263-I266 PolarHBondContact O-N 3.4Å; G264-I266 VanDerWaalsContact C-N 3.34Å; G264-I266 PolarHBondContact O-N 3.08Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.26Å; I266-K269 WeakPolarHBondContact O-CB 3.41Å; I266-K269 PolarHBondContact O-N 3.23Å; I266-K269 VanDerWaalsContact O-N 3.11Å; I266-E270 HydrophobicContact CG2-CG 4.14Å; I266-E270 WeakPolarHBondContact O-CB 3.3Å; I266-E270 VanDerWaalsContact O-CG 3.27Å; I266-E270 WeakPolarHBondContact O-CG 3.24Å; I266-E270 PolarHBondContact O-N 3.21Å; I266-E577 HydrophobicContact CD1-CB 4.42Å; I266-E577 HydrophobicContact CD1-CG 4.44Å
267	M	98.3	Very high	95.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-55	-45.2	174.4	-73	169.5	51.2	0	0	111.7	I135 Y163 A263 G264 K269 E270 A271 F287 L290	I135-M267 HydrophobicContact CG2-CB 3.82Å; I135-M267 HydrophobicContact CG2-CG 4.08Å; I135-M267 WeakPolarHBondContact CG2-O 3.44Å; Y163-M267 HydrophobicContact CD1-CG 4.1Å; Y163-M267 HydrophobicContact CE1-CG 3.83Å; A263-M267 VanDerWaalsContact O-CG 3.25Å; A263-M267 WeakPolarHBondContact O-CG 3.42Å; A263-M267 PolarHBondContact O-N 2.95Å; G264-M267 WeakPolarHBondContact O-CB 3.44Å; G264-M267 PolarHBondContact O-N 3.26Å; M267-K269 PolarHBondContact O-N 2.71Å; M267-E270 WeakPolarHBondContact O-CB 3.43Å; M267-E270 PolarHBondContact O-N 3.12Å; M267-A271 PolarHBondContact O-N 2.87Å; M267-F287 HydrophobicContact CB-CE2 4.11Å; M267-F287 HydrophobicContact CB-CZ 3.88Å; M267-F287 HydrophobicContact CE-CE1 4.02Å; M267-F287 HydrophobicContact CE-CZ 3.87Å; M267-F287 WeakPolarHBondContact O-CE2 3.42Å; M267-L290 HydrophobicContact CE-CG 4.48Å; M267-L290 HydrophobicContact SD-CD1 3.87Å; M267-L290 HydrophobicContact SD-CG 3.92Å
268	V	98.6	Very high	95.9	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-42.8	176.8	173.7	0	0	0	0	111.6	G264 S265 I266 E270 A271 I272 F287 M321 K324 I325	G264-V268 PolarHBondContact O-N 3.32Å; S265-V268 PolarHBondContact O-N 3.36Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.26Å; V268-E270 VanDerWaalsContact C-N 3.34Å; V268-E270 PolarHBondContact O-N 2.62Å; V268-A271 PolarHBondContact O-N 3.2Å; V268-I272 HydrophobicContact CG1-CD1 3.89Å; V268-I272 HydrophobicContact CG1-CG1 4.45Å; V268-I272 WeakPolarHBondContact O-CG1 3.25Å; V268-I272 PolarHBondContact O-N 2.96Å; V268-F287 HydrophobicContact CG2-CZ 4.23Å; V268-M321 HydrophobicContact CG2-CB 3.65Å; V268-M321 HydrophobicContact CG2-CG 3.7Å; V268-M321 HydrophobicContact CG2-SD 3.8Å; V268-K324 HydrophobicContact CG1-CB 3.88Å; V268-K324 HydrophobicContact CG1-CD 4.15Å; V268-I325 HydrophobicContact CG1-CG1 4.39Å
269	K	98.4	Very high	96	Very high	144 Å²	144	41.2 Å²	41.2	63%	0.626	19%	0.192	S	C	*	.	H	α-helix	trans	-60.7	-43.9	175.4	-71.4	175.2	-179.5	178.6	0	111.9	S265 I266 M267 A271 I272 S273	S265-K269 WeakPolarHBondContact O-CG 3.38Å; S265-K269 PolarHBondContact O-N 3.35Å; I266-K269 WeakPolarHBondContact O-CB 3.41Å; I266-K269 PolarHBondContact O-N 3.23Å; I266-K269 VanDerWaalsContact O-N 3.11Å; M267-K269 PolarHBondContact O-N 2.71Å; K269-A271 VanDerWaalsContact C-N 3.29Å; K269-A271 PolarHBondContact O-N 3.28Å; K269-I272 PolarHBondContact O-N 2.99Å; K269-S273 VanDerWaalsContact O-CB 3.3Å; K269-S273 WeakPolarHBondContact O-CB 3.42Å; K269-S273 PolarHBondContact O-N 3.39Å
270	E	98.5	Very high	96.2	Very high	19 Å²	19	48.3 Å²	48.3	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-39.9	176.6	-73	-78.2	-174.5	0	0	111.2	I135 Y161 Y163 R249 I266 M267 V268 S273 F274	I135-E270 VanDerWaalsContact CD1-C 3.43Å; I135-E270 HydrophobicContact CD1-CB 3.94Å; I135-E270 HydrophobicContact CG2-CB 4.38Å; Y161-E270 PolarHBondContact OH-OE1 2.82Å; Y161-E270 PolarHBondContact OH-OE2 3.48Å; Y163-E270 HydrophobicContact CD1-CB 4.08Å; Y163-E270 HydrophobicContact CD1-CG 3.64Å; Y163-E270 HydrophobicContact CD2-CG 4.03Å; Y163-E270 HydrophobicContact CE1-CG 3.99Å; Y163-E270 HydrophobicContact CE2-CG 4.36Å; Y163-E270 HydrophobicContact CG-CB 4.28Å; Y163-E270 HydrophobicContact CG-CG 3.67Å; R249-E270 IonicContact CZ-OE1 2.59Å; R249-E270 VanDerWaalsContact CZ-OE1 3.32Å; R249-E270 IonicContact NE-OE1 2.61Å; R249-E270 PolarHBondContact NE-OE1 3Å; R249-E270 IonicContact NH2-OE1 2.69Å; R249-E270 PolarHBondContact NH2-OE1 3.35Å; I266-E270 HydrophobicContact CG2-CG 4.14Å; I266-E270 WeakPolarHBondContact O-CB 3.3Å; I266-E270 VanDerWaalsContact O-CG 3.27Å; I266-E270 WeakPolarHBondContact O-CG 3.24Å; I266-E270 PolarHBondContact O-N 3.21Å; M267-E270 WeakPolarHBondContact O-CB 3.43Å; M267-E270 PolarHBondContact O-N 3.12Å; V268-E270 VanDerWaalsContact C-N 3.34Å; V268-E270 PolarHBondContact O-N 2.62Å; E270-S273 PolarHBondContact O-N 2.95Å; E270-F274 WeakPolarHBondContact O-CB 3.44Å; E270-F274 PolarHBondContact O-N 2.85Å
271	A	98.8	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-48.5	177	0	0	0	0	0	112.3	I135 M267 V268 K269 S273 F274 L275 L285 F287 I325	I135-A271 HydrophobicContact CD1-CB 3.82Å; I135-A271 VanDerWaalsContact CD1-N 3.29Å; M267-A271 PolarHBondContact O-N 2.87Å; V268-A271 PolarHBondContact O-N 3.2Å; K269-A271 VanDerWaalsContact C-N 3.29Å; K269-A271 PolarHBondContact O-N 3.28Å; A271-S273 VanDerWaalsContact C-N 3.28Å; A271-S273 PolarHBondContact O-N 2.81Å; A271-F274 WeakPolarHBondContact O-CB 3.43Å; A271-F274 PolarHBondContact O-N 3.44Å; A271-L275 VanDerWaalsContact O-CG 3.3Å; A271-L275 WeakPolarHBondContact O-CG 3.5Å; A271-L275 PolarHBondContact O-N 3.35Å; A271-L285 HydrophobicContact CB-CD2 4.15Å; A271-F287 HydrophobicContact CB-CD2 3.64Å; A271-F287 HydrophobicContact CB-CE2 3.66Å; A271-I325 HydrophobicContact CB-CD1 4.46Å; A271-I325 HydrophobicContact CB-CG1 4.46Å
272	I	98.8	Very high	96.8	Very high	50 Å²	50	50 Å²	50	26%	0.256	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-42.4	176.8	-65.4	171.6	0	0	0	110.2	V268 K269 F274 L275 E276 A328 F332	V268-I272 HydrophobicContact CG1-CD1 3.89Å; V268-I272 HydrophobicContact CG1-CG1 4.45Å; V268-I272 WeakPolarHBondContact O-CG1 3.25Å; V268-I272 PolarHBondContact O-N 2.96Å; K269-I272 PolarHBondContact O-N 2.99Å; I272-F274 PolarHBondContact O-N 3.11Å; I272-L275 PolarHBondContact O-N 3.41Å; I272-E276 WeakPolarHBondContact O-CB 3.21Å; I272-E276 PolarHBondContact O-N 2.89Å; I272-A328 HydrophobicContact CB-CB 4.5Å; I272-A328 HydrophobicContact CD1-CB 4.41Å; I272-A328 HydrophobicContact CG1-CB 3.85Å; I272-A328 HydrophobicContact CG2-CB 4.18Å; I272-F332 HydrophobicContact CG2-CE2 4.15Å; I272-F332 HydrophobicContact CG2-CZ 3.88Å
273	S	98.6	Very high	97.2	Very high	41 Å²	41	47.8 Å²	47.8	29%	0.287	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-38.1	177.6	-164.6	0	0	0	0	112.5	K269 E270 A271 E276 R277	K269-S273 VanDerWaalsContact O-CB 3.3Å; K269-S273 WeakPolarHBondContact O-CB 3.42Å; K269-S273 PolarHBondContact O-N 3.39Å; E270-S273 PolarHBondContact O-N 2.95Å; A271-S273 VanDerWaalsContact C-N 3.28Å; A271-S273 PolarHBondContact O-N 2.81Å; S273-E276 PolarHBondContact O-N 3.35Å; S273-R277 WeakPolarHBondContact O-CG 3.04Å; S273-R277 PolarHBondContact O-N 2.67Å; S273-R277 PolarHBondContact OG-NH1 2.62Å
274	F	98.7	Very high	97.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-48.4	172.2	-179.2	-89.8	0	0	0	111.4	I135 Y161 E270 A271 I272 E276 R277 H278 F283 L285	I135-F274 HydrophobicContact CD1-CB 4.45Å; Y161-F274 HydrophobicContact CD1-CD2 4.24Å; E270-F274 WeakPolarHBondContact O-CB 3.44Å; E270-F274 PolarHBondContact O-N 2.85Å; A271-F274 WeakPolarHBondContact O-CB 3.43Å; A271-F274 PolarHBondContact O-N 3.44Å; I272-F274 PolarHBondContact O-N 3.11Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.07Å; F274-R277 PolarHBondContact O-N 3.17Å; F274-H278 AromaticContact CD2-CD2 3.61Å; F274-H278 AromaticContact CD2-NE2 3.79Å; F274-H278 AromaticContact CE1-CD2 3.98Å; F274-H278 AromaticContact CE2-CD2 3.44Å; F274-H278 VanDerWaalsContact CE2-CD2 3.44Å; F274-H278 WeakPolarHBondContact CE2-CD2 3.28Å; F274-H278 AromaticContact CE2-NE2 3.5Å; F274-H278 AromaticContact CG-CD2 3.94Å; F274-H278 AromaticContact CZ-CD2 3.63Å; F274-H278 PolarHBondContact O-CD2 3.25Å; F274-H278 PolarHBondContact O-N 2.92Å; F274-F283 HydrophobicContact CE1-CB 3.92Å; F274-F283 AromaticContact CE1-CD2 3.89Å; F274-F283 HydrophobicContact CE1-CD2 3.89Å; F274-F283 HydrophobicContact CE1-CG 4.09Å; F274-F283 HydrophobicContact CZ-CB 4.2Å; F274-L285 HydrophobicContact CD1-CB 4.16Å; F274-L285 HydrophobicContact CD1-CD1 4.12Å; F274-L285 HydrophobicContact CE1-CB 4.03Å
275	L	98.5	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-40	176.6	-66.4	173.6	0	0	0	111.8	V33 A271 I272 R279 F283 L285 I325 A328 I329 F332	V33-L275 HydrophobicContact CG2-CD2 4.45Å; A271-L275 VanDerWaalsContact O-CG 3.3Å; A271-L275 WeakPolarHBondContact O-CG 3.5Å; A271-L275 PolarHBondContact O-N 3.35Å; I272-L275 PolarHBondContact O-N 3.41Å; L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.45Å; L275-R279 PolarHBondContact O-N 3.09Å; L275-F283 HydrophobicContact CD2-CD2 4.32Å; L275-F283 HydrophobicContact CD2-CE1 4.22Å; L275-F283 HydrophobicContact CD2-CE2 3.37Å; L275-F283 HydrophobicContact CD2-CZ 3.3Å; L275-L285 HydrophobicContact CD2-CD2 4.01Å; L275-L285 HydrophobicContact CG-CD2 4.17Å; L275-I325 HydrophobicContact CD1-CG2 4.44Å; L275-A328 HydrophobicContact CD1-CB 4.27Å; L275-I329 HydrophobicContact CD1-CG1 3.85Å; L275-I329 HydrophobicContact CD2-CG1 4.44Å; L275-F332 HydrophobicContact CB-CD2 3.95Å; L275-F332 HydrophobicContact CB-CE2 3.97Å
276	E	98.1	Very high	97.8	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-65.4	-45.2	177.9	172.4	159.5	-123.5	0	0	113	I272 S273 F274 H278 R279 F332	I272-E276 WeakPolarHBondContact O-CB 3.21Å; I272-E276 PolarHBondContact O-N 2.89Å; S273-E276 PolarHBondContact O-N 3.35Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.07Å; E276-H278 VanDerWaalsContact C-N 3.3Å; E276-H278 PolarHBondContact O-N 3.41Å; E276-R279 VanDerWaalsContact CG-NH2 3.25Å; E276-R279 WeakPolarHBondContact O-CG 3.38Å; E276-R279 IonicContact OE1-CZ 3.08Å; E276-R279 IonicContact OE1-NH1 3.45Å; E276-R279 IonicContact OE1-NH2 3.86Å; E276-R279 PolarHBondContact OE1-NH2 2.91Å; E276-F332 HydrophobicContact CB-CE2 3.81Å; E276-F332 HydrophobicContact CB-CZ 4.06Å
277	R	97.9	Very high	97.9	Very high	127 Å²	127	44.1 Å²	44.1	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-64.5	-35.2	-180	-72.8	-173.6	-62.1	-99.7	4.7	112.6	S273 F274	S273-R277 WeakPolarHBondContact O-CG 3.04Å; S273-R277 PolarHBondContact O-N 2.67Å; S273-R277 PolarHBondContact OG-NH1 2.62Å; F274-R277 PolarHBondContact O-N 3.17Å
278	H	97.2	Very high	97.9	Very high	31 Å²	31	44 Å²	44	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	18.7	-173.2	-60.6	-67.8	0	0	0	113.8	S131 F274 E276 K280 E281 F283	S131-H278 WeakPolarHBondContact CB-ND1 3.49Å; S131-H278 PolarHBondContact OG-ND1 2.77Å; F274-H278 AromaticContact CD2-CD2 3.61Å; F274-H278 AromaticContact CD2-NE2 3.79Å; F274-H278 AromaticContact CE1-CD2 3.98Å; F274-H278 AromaticContact CE2-CD2 3.44Å; F274-H278 VanDerWaalsContact CE2-CD2 3.44Å; F274-H278 WeakPolarHBondContact CE2-CD2 3.28Å; F274-H278 AromaticContact CE2-NE2 3.5Å; F274-H278 AromaticContact CG-CD2 3.94Å; F274-H278 AromaticContact CZ-CD2 3.63Å; F274-H278 PolarHBondContact O-CD2 3.25Å; F274-H278 PolarHBondContact O-N 2.92Å; E276-H278 VanDerWaalsContact C-N 3.3Å; E276-H278 PolarHBondContact O-N 3.41Å; H278-K280 PolarHBondContact O-N 3.47Å; H278-E281 HydrophobicContact CB-CG 4.19Å; H278-E281 IonicContact CE1-OE1 3.35Å; H278-E281 PolarHBondContact CE1-OE1 3.35Å; H278-E281 IonicContact CG-OE1 3.47Å; H278-E281 IonicContact ND1-OE1 3.29Å; H278-E281 PolarHBondContact ND1-OE1 3.08Å; H278-E281 PolarHBondContact O-N 3.3Å; H278-F283 HydrophobicContact CB-CB 3.97Å; H278-F283 HydrophobicContact CB-CD1 3.93Å; H278-F283 HydrophobicContact CB-CG 4.23Å
279	R	94.9	Very high	97.9	Very high	94 Å²	94	43.8 Å²	43.8	36%	0.355	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.6	-178.8	-72.2	-179.6	-170.6	155.3	15.4	115.3	L275 E276 F332 L334	L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.45Å; L275-R279 PolarHBondContact O-N 3.09Å; E276-R279 VanDerWaalsContact CG-NH2 3.25Å; E276-R279 WeakPolarHBondContact O-CG 3.38Å; E276-R279 IonicContact OE1-CZ 3.08Å; E276-R279 IonicContact OE1-NH1 3.45Å; E276-R279 IonicContact OE1-NH2 3.86Å; E276-R279 PolarHBondContact OE1-NH2 2.91Å; R279-F332 HydrophobicContact CG-CB 4.21Å; R279-F332 HydrophobicContact CG-CD2 4.42Å; R279-F332 HydrophobicContact CG-CG 4.46Å; R279-L334 HydrophobicContact CB-CD2 4.5Å; R279-L334 HydrophobicContact CG-CD1 4.46Å
280	K	94.1	Very high	97.9	Very high	189 Å²	189	37.1 Å²	37.1	82%	0.822	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	0.3	-171.9	-63.6	-176.8	-178.8	176.4	0	114	H278	H278-K280 PolarHBondContact O-N 3.47Å
281	E	94.6	Very high	97.9	Very high	88 Å²	88	36.5 Å²	36.5	41%	0.411	17%	0.166	S	C	.	.	S	Bend	trans	-138.5	151.8	-177.7	65.8	-169.6	166.3	0	0	110.5	S131 H278 F283	S131-E281 PolarHBondContact OG-OE1 2.9Å; H278-E281 HydrophobicContact CB-CG 4.19Å; H278-E281 IonicContact CE1-OE1 3.35Å; H278-E281 PolarHBondContact CE1-OE1 3.35Å; H278-E281 IonicContact CG-OE1 3.47Å; H278-E281 IonicContact ND1-OE1 3.29Å; H278-E281 PolarHBondContact ND1-OE1 3.08Å; H278-E281 PolarHBondContact O-N 3.3Å; E281-F283 PolarHBondContact O-N 3.19Å
282	P	97.7	Very high	97.8	Very high	30 Å²	30	36.6 Å²	36.6	20%	0.195	17%	0.167	C	C	.	.			trans	-64.5	132.3	179.3	27.3	-34.4	0	0	0	110.2	K29 Y130 S131	K29-P282 HydrophobicContact CB-CB 4.03Å; K29-P282 HydrophobicContact CB-CG 4.38Å; Y130-P282 WeakPolarHBondContact CA-O 3.36Å; Y130-P282 HydrophobicContact CD1-CB 3.99Å; Y130-P282 HydrophobicContact CD2-CB 4.41Å; Y130-P282 HydrophobicContact CE1-CB 3.8Å; Y130-P282 HydrophobicContact CE2-CB 4.24Å; Y130-P282 HydrophobicContact CG-CB 4.28Å; S131-P282 PolarHBondContact N-O 3.25Å; S131-P282 VanDerWaalsContact N-O 3.11Å
283	F	98.8	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.1	179.5	65.4	-100	0	0	0	112.9	N31 I32 V33 Y130 S131 F274 L275 H278 E281 L285 L334	N31-F283 HydrophobicContact CB-CD1 4.06Å; N31-F283 HydrophobicContact CB-CD2 4.26Å; N31-F283 HydrophobicContact CB-CE1 3.63Å; N31-F283 HydrophobicContact CB-CE2 3.83Å; N31-F283 HydrophobicContact CB-CG 4.36Å; N31-F283 HydrophobicContact CB-CZ 3.49Å; N31-F283 VanDerWaalsContact CB-CZ 3.49Å; N31-F283 WeakPolarHBondContact ND2-CE1 3.42Å; N31-F283 WeakPolarHBondContact OD1-CD1 3.42Å; N31-F283 WeakPolarHBondContact OD1-CE1 3.3Å; N31-F283 PolarHBondContact OD1-N 3.35Å; I32-F283 PolarHBondContact N-O 3.34Å; V33-F283 HydrophobicContact CG2-CE2 3.77Å; V33-F283 HydrophobicContact CG2-CZ 4.44Å; Y130-F283 VanDerWaalsContact CD1-C 3.49Å; S131-F283 CarbonylContact O-C 3.56Å; S131-F283 VanDerWaalsContact O-CA 3.24Å; S131-F283 WeakPolarHBondContact O-CA 3.25Å; F274-F283 HydrophobicContact CE1-CB 3.92Å; F274-F283 AromaticContact CE1-CD2 3.89Å; F274-F283 HydrophobicContact CE1-CD2 3.89Å; F274-F283 HydrophobicContact CE1-CG 4.09Å; F274-F283 HydrophobicContact CZ-CB 4.2Å; L275-F283 HydrophobicContact CD2-CD2 4.32Å; L275-F283 HydrophobicContact CD2-CE1 4.22Å; L275-F283 HydrophobicContact CD2-CE2 3.37Å; L275-F283 HydrophobicContact CD2-CZ 3.3Å; H278-F283 HydrophobicContact CB-CB 3.97Å; H278-F283 HydrophobicContact CB-CD1 3.93Å; H278-F283 HydrophobicContact CB-CG 4.23Å; E281-F283 PolarHBondContact O-N 3.19Å; F283-L285 HydrophobicContact CD2-CB 4.29Å; F283-L285 HydrophobicContact CE2-CB 4.36Å; F283-L334 HydrophobicContact CE1-CD1 3.92Å; F283-L334 HydrophobicContact CZ-CD1 4.06Å
284	L	98.9	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.5	163.8	168.8	69.5	0	0	0	107.7	I32 L34 F121 A122 L125 S131 T132 G133 F159	I32-L284 HydrophobicContact CB-CD1 4.1Å; I32-L284 HydrophobicContact CG2-CD1 3.73Å; I32-L284 CarbonylContact O-C 3.46Å; I32-L284 VanDerWaalsContact O-CA 3.31Å; I32-L284 WeakPolarHBondContact O-CA 3.23Å; L34-L284 HydrophobicContact CD1-CD1 3.89Å; L34-L284 HydrophobicContact CG-CD1 4.04Å; F121-L284 HydrophobicContact CD2-CD1 4.39Å; F121-L284 HydrophobicContact CD2-CD2 3.8Å; F121-L284 HydrophobicContact CE2-CD1 4.31Å; F121-L284 HydrophobicContact CE2-CD2 3.9Å; A122-L284 HydrophobicContact CB-CD2 3.73Å; L125-L284 HydrophobicContact CD1-CB 4.11Å; L125-L284 HydrophobicContact CD1-CD1 3.91Å; L125-L284 HydrophobicContact CD1-CD2 3.85Å; L125-L284 HydrophobicContact CD1-CG 4.16Å; S131-L284 PolarHBondContact O-N 2.77Å; T132-L284 HydrophobicContact CG2-CB 4.05Å; T132-L284 HydrophobicContact CG2-CD2 3.98Å; G133-L284 PolarHBondContact N-O 3.25Å; F159-L284 HydrophobicContact CE1-CD2 4.09Å
285	L	98.9	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.1	164.2	173.7	61.1	0	0	0	108.5	I32 V33 L34 I135 A271 F274 L275 F283	I32-L285 PolarHBondContact O-N 2.83Å; V33-L285 CarbonylContact C-O 3.55Å; V33-L285 WeakPolarHBondContact CA-O 3.38Å; V33-L285 HydrophobicContact CG1-CD2 4.34Å; V33-L285 HydrophobicContact CG2-CB 4.33Å; L34-L285 PolarHBondContact N-O 2.8Å; I135-L285 HydrophobicContact CD1-CD1 3.79Å; I135-L285 HydrophobicContact CG1-CD1 4.1Å; A271-L285 HydrophobicContact CB-CD2 4.15Å; F274-L285 HydrophobicContact CD1-CB 4.16Å; F274-L285 HydrophobicContact CD1-CD1 4.12Å; F274-L285 HydrophobicContact CE1-CB 4.03Å; L275-L285 HydrophobicContact CD2-CD2 4.01Å; L275-L285 HydrophobicContact CG-CD2 4.17Å; F283-L285 HydrophobicContact CD2-CB 4.29Å; F283-L285 HydrophobicContact CE2-CB 4.36Å
286	F	98.9	Very high	97.1	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.2	165.4	-178.6	-155.6	0	0	0	109	L34 M36 F85 L86 F121 G133 L134 I135 F159	L34-F286 HydrophobicContact CB-CD2 3.96Å; L34-F286 CarbonylContact O-C 3.59Å; L34-F286 WeakPolarHBondContact O-CA 3.45Å; M36-F286 HydrophobicContact CB-CE2 3.7Å; M36-F286 HydrophobicContact CB-CZ 4.23Å; M36-F286 HydrophobicContact SD-CE2 4.43Å; M36-F286 HydrophobicContact SD-CZ 4.06Å; F85-F286 HydrophobicContact CD1-CE1 4.44Å; F85-F286 HydrophobicContact CD1-CE2 4.33Å; F85-F286 AromaticContact CD1-CZ 3.97Å; F85-F286 HydrophobicContact CD1-CZ 3.97Å; F85-F286 HydrophobicContact CE1-CD2 4.17Å; F85-F286 HydrophobicContact CE1-CE1 4.3Å; F85-F286 AromaticContact CE1-CE2 3.63Å; F85-F286 HydrophobicContact CE1-CE2 3.63Å; F85-F286 AromaticContact CE1-CZ 3.72Å; F85-F286 HydrophobicContact CE1-CZ 3.72Å; F85-F286 HydrophobicContact CZ-CE2 4.42Å; L86-F286 HydrophobicContact CD2-CE1 4.34Å; F121-F286 HydrophobicContact CE2-CD1 4.5Å; F121-F286 AromaticContact CZ-CD1 3.99Å; F121-F286 HydrophobicContact CZ-CD1 3.99Å; F121-F286 HydrophobicContact CZ-CE1 4.4Å; F121-F286 HydrophobicContact CZ-CG 4.26Å; G133-F286 PolarHBondContact O-N 3.05Å; L134-F286 WeakPolarHBondContact CA-O 3.21Å; L134-F286 HydrophobicContact CD1-CB 4.13Å; L134-F286 HydrophobicContact CD1-CD1 3.41Å; L134-F286 VanDerWaalsContact CD1-CD1 3.41Å; L134-F286 HydrophobicContact CD1-CE1 3.91Å; L134-F286 HydrophobicContact CD1-CG 3.86Å; L134-F286 WeakPolarHBondContact CD1-O 3.29Å; I135-F286 PolarHBondContact N-O 3.03Å; F159-F286 HydrophobicContact CE1-CB 4.02Å; F159-F286 HydrophobicContact CE1-CD1 4.45Å; F159-F286 HydrophobicContact CZ-CB 4.33Å; F159-F286 AromaticContact CZ-CD1 3.94Å; F159-F286 HydrophobicContact CZ-CD1 3.94Å
287	F	98.9	Very high	96.9	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.3	174.8	-163.1	-83.4	0	0	0	109.8	L34 I35 M36 I135 M267 V268 A271 F289 I325	L34-F287 PolarHBondContact O-N 2.65Å; I35-F287 VanDerWaalsContact CA-O 3.31Å; I35-F287 WeakPolarHBondContact CA-O 3.47Å; I35-F287 HydrophobicContact CG1-CB 4.27Å; M36-F287 PolarHBondContact N-O 2.71Å; I135-F287 HydrophobicContact CB-CD2 3.98Å; I135-F287 HydrophobicContact CB-CE2 4.28Å; I135-F287 HydrophobicContact CG2-CD2 3.92Å; I135-F287 HydrophobicContact CG2-CE2 3.69Å; M267-F287 HydrophobicContact CB-CE2 4.11Å; M267-F287 HydrophobicContact CB-CZ 3.88Å; M267-F287 HydrophobicContact CE-CE1 4.02Å; M267-F287 HydrophobicContact CE-CZ 3.87Å; M267-F287 WeakPolarHBondContact O-CE2 3.42Å; V268-F287 HydrophobicContact CG2-CZ 4.23Å; A271-F287 HydrophobicContact CB-CD2 3.64Å; A271-F287 HydrophobicContact CB-CE2 3.66Å; F287-F289 HydrophobicContact CD1-CD1 4.36Å; F287-F289 AromaticContact CD1-CD2 3.77Å; F287-F289 HydrophobicContact CD1-CD2 3.77Å; F287-F289 HydrophobicContact CD1-CE1 4.22Å; F287-F289 AromaticContact CD1-CE2 3.64Å; F287-F289 HydrophobicContact CD1-CE2 3.64Å; F287-F289 HydrophobicContact CD1-CG 4.14Å; F287-F289 AromaticContact CD1-CZ 3.87Å; F287-F289 HydrophobicContact CD1-CZ 3.87Å; F287-F289 AromaticContact CE1-CD1 3.6Å; F287-F289 HydrophobicContact CE1-CD1 3.6Å; F287-F289 AromaticContact CE1-CD2 3.85Å; F287-F289 HydrophobicContact CE1-CD2 3.85Å; F287-F289 AromaticContact CE1-CE1 3.42Å; F287-F289 HydrophobicContact CE1-CE1 3.42Å; F287-F289 VanDerWaalsContact CE1-CE1 3.42Å; F287-F289 AromaticContact CE1-CE2 3.71Å; F287-F289 HydrophobicContact CE1-CE2 3.71Å; F287-F289 AromaticContact CE1-CG 3.8Å; F287-F289 HydrophobicContact CE1-CG 3.8Å; F287-F289 AromaticContact CE1-CZ 3.48Å; F287-F289 HydrophobicContact CE1-CZ 3.48Å; F287-F289 VanDerWaalsContact CE1-CZ 3.48Å; F287-F289 HydrophobicContact CZ-CE1 4.25Å; F287-F289 HydrophobicContact CZ-CZ 4.47Å; F287-I325 HydrophobicContact CD1-CD1 4.04Å; F287-I325 HydrophobicContact CD2-CD1 3.79Å; F287-I325 HydrophobicContact CE1-CD1 4.02Å; F287-I325 HydrophobicContact CE2-CD1 3.74Å; F287-I325 HydrophobicContact CG-CD1 3.92Å; F287-I325 HydrophobicContact CZ-CD1 3.86Å
288	S	98.8	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	95	-170.5	178.2	0	0	0	0	108.5	M36 R82 I135 G136 K137	M36-S288 CarbonylContact O-C 3.49Å; M36-S288 WeakPolarHBondContact O-CA 3.45Å; R82-S288 PolarHBondContact NH1-OG 2.81Å; I135-S288 PolarHBondContact O-N 3.47Å; G136-S288 CarbonylContact C-O 3.57Å; G136-S288 WeakPolarHBondContact CA-O 3.33Å; K137-S288 PolarHBondContact N-O 2.97Å; K137-S288 VanDerWaalsContact O-CB 3.29Å; K137-S288 WeakPolarHBondContact O-CB 3.21Å; K137-S288 PolarHBondContact O-OG 3.27Å
289	F	98.7	Very high	96.5	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.116	C	C	.	.			trans	-59.3	148.2	-174.8	-77.3	-87.1	0	0	0	111.9	I35 M36 V37 F287 H291 M318 M321	I35-F289 HydrophobicContact CG2-CD2 4.01Å; I35-F289 HydrophobicContact CG2-CE2 3.52Å; M36-F289 PolarHBondContact O-N 3.41Å; V37-F289 HydrophobicContact CG2-CD2 4.05Å; F287-F289 HydrophobicContact CD1-CD1 4.36Å; F287-F289 AromaticContact CD1-CD2 3.77Å; F287-F289 HydrophobicContact CD1-CD2 3.77Å; F287-F289 HydrophobicContact CD1-CE1 4.22Å; F287-F289 AromaticContact CD1-CE2 3.64Å; F287-F289 HydrophobicContact CD1-CE2 3.64Å; F287-F289 HydrophobicContact CD1-CG 4.14Å; F287-F289 AromaticContact CD1-CZ 3.87Å; F287-F289 HydrophobicContact CD1-CZ 3.87Å; F287-F289 AromaticContact CE1-CD1 3.6Å; F287-F289 HydrophobicContact CE1-CD1 3.6Å; F287-F289 AromaticContact CE1-CD2 3.85Å; F287-F289 HydrophobicContact CE1-CD2 3.85Å; F287-F289 AromaticContact CE1-CE1 3.42Å; F287-F289 HydrophobicContact CE1-CE1 3.42Å; F287-F289 VanDerWaalsContact CE1-CE1 3.42Å; F287-F289 AromaticContact CE1-CE2 3.71Å; F287-F289 HydrophobicContact CE1-CE2 3.71Å; F287-F289 AromaticContact CE1-CG 3.8Å; F287-F289 HydrophobicContact CE1-CG 3.8Å; F287-F289 AromaticContact CE1-CZ 3.48Å; F287-F289 HydrophobicContact CE1-CZ 3.48Å; F287-F289 VanDerWaalsContact CE1-CZ 3.48Å; F287-F289 HydrophobicContact CZ-CE1 4.25Å; F287-F289 HydrophobicContact CZ-CZ 4.47Å; F289-H291 VanDerWaalsContact C-N 3.34Å; F289-H291 HydrophobicContact CB-CB 4.25Å; F289-H291 VanDerWaalsContact CB-O 3.23Å; F289-H291 WeakPolarHBondContact CB-O 3.29Å; F289-H291 HydrophobicContact CD1-CB 4.28Å; F289-M318 HydrophobicContact CD1-CG 3.84Å; F289-M318 HydrophobicContact CD2-CG 4.31Å; F289-M318 HydrophobicContact CE1-CG 3.8Å; F289-M318 HydrophobicContact CE2-CG 4.24Å; F289-M318 HydrophobicContact CG-CG 4.12Å; F289-M318 HydrophobicContact CZ-CG 4.01Å; F289-M321 HydrophobicContact CD1-CE 3.99Å; F289-M321 HydrophobicContact CE1-CB 3.86Å; F289-M321 HydrophobicContact CE1-CE 3.76Å; F289-M321 HydrophobicContact CE1-SD 4.28Å; F289-M321 HydrophobicContact CZ-CB 4.3Å
290	L	98.1	Very high	96.4	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.135	C	C	.	.			trans	-79.4	-26.4	159.2	-60.6	175.3	0	0	0	111.1	K137 M165 L169 M258 A263 M267 H293	K137-L290 HydrophobicContact CB-CD2 4Å; M165-L290 HydrophobicContact CB-CD2 3.72Å; M165-L290 HydrophobicContact CG-CD2 4.45Å; M165-L290 HydrophobicContact SD-CD2 3.94Å; L169-L290 HydrophobicContact CD1-CB 3.86Å; L169-L290 HydrophobicContact CG-CB 4.23Å; L169-L290 HydrophobicContact CG-CD2 4.46Å; M258-L290 HydrophobicContact CE-CD1 3.82Å; A263-L290 HydrophobicContact CB-CD1 4.03Å; M267-L290 HydrophobicContact CE-CG 4.48Å; M267-L290 HydrophobicContact SD-CD1 3.87Å; M267-L290 HydrophobicContact SD-CG 3.92Å; L290-H293 PolarHBondContact O-N 3.1Å
291	H	98.1	Very high	96.4	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.028	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	145.8	172.1	-63	47.6	0	0	0	108.9	V37 D38 F289 N314 E317 M318 M321	V37-H291 WeakPolarHBondContact CG1-O 3.19Å; D38-H291 WeakPolarHBondContact CB-O 3.4Å; D38-H291 PolarHBondContact N-O 3.5Å; F289-H291 VanDerWaalsContact C-N 3.34Å; F289-H291 HydrophobicContact CB-CB 4.25Å; F289-H291 VanDerWaalsContact CB-O 3.23Å; F289-H291 WeakPolarHBondContact CB-O 3.29Å; F289-H291 HydrophobicContact CD1-CB 4.28Å; H291-N314 PolarHBondContact CD2-ND2 2.94Å; H291-N314 PolarHBondContact CD2-O 3.32Å; H291-N314 PolarHBondContact CD2-OD1 3.25Å; H291-N314 PolarHBondContact NE2-ND2 2.88Å; H291-E317 IonicContact NE2-OE2 3.25Å; H291-M318 HydrophobicContact CB-CB 3.88Å; H291-M318 HydrophobicContact CB-CG 4.04Å; H291-M321 WeakPolarHBondContact NE2-CE 3.4Å
292	V	97.1	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	cis	-109.3	39.9	-0.1	-67.7	0	0	0	0	110.5	V37 D38 L40 L296 Y311 N314 V315 M318	V37-V292 HydrophobicContact CG1-CG2 4.34Å; D38-V292 CarbonylContact O-C 3.49Å; D38-V292 WeakPolarHBondContact O-CG2 3.44Å; D38-V292 PolarHBondContact O-N 2.92Å; L40-V292 HydrophobicContact CB-CG2 4.1Å; L40-V292 HydrophobicContact CD1-CG2 4.11Å; V292-L296 HydrophobicContact CB-CD2 4.39Å; V292-L296 WeakPolarHBondContact O-CD2 3.2Å; V292-Y311 HydrophobicContact CB-CE2 3.93Å; V292-Y311 HydrophobicContact CG2-CE2 3.63Å; V292-Y311 WeakPolarHBondContact CG2-OH 3.18Å; V292-N314 WeakPolarHBondContact CA-OD1 3.4Å; V292-N314 HydrophobicContact CG1-CB 4.35Å; V292-V315 HydrophobicContact CB-CG2 4.32Å; V292-V315 HydrophobicContact CG1-CB 4.32Å; V292-V315 HydrophobicContact CG1-CG2 3.73Å; V292-V315 HydrophobicContact CG2-CG2 4.34Å; V292-M318 HydrophobicContact CG1-CB 4.36Å
293	H	97.3	Very high	96.4	Very high	17 Å²	17	25 Å²	25	8%	0.079	13%	0.132	C	C	.	.	S	Bend	trans	-74.7	143.5	178.8	-169.3	-74.4	0	0	0	110.8	D38 D39 L169 L290 L296 K370	D38-H293 HydrophobicContact CB-CB 3.92Å; D38-H293 WeakPolarHBondContact OD2-CB 3.21Å; D38-H293 IonicContact OD2-CD2 3.46Å; D38-H293 PolarHBondContact OD2-CD2 3.45Å; D38-H293 IonicContact OD2-CG 2.62Å; D39-H293 VanDerWaalsContact CG-CD2 3.47Å; D39-H293 IonicContact OD1-CD2 2.77Å; D39-H293 PolarHBondContact OD1-CD2 3.43Å; D39-H293 VanDerWaalsContact OD1-CD2 3.29Å; D39-H293 IonicContact OD2-CD2 2.78Å; D39-H293 PolarHBondContact OD2-CD2 2.87Å; D39-H293 IonicContact OD2-CG 3.95Å; D39-H293 IonicContact OD2-NE2 3.48Å; L169-H293 PolarHBondContact O-CE1 3.34Å; L169-H293 PolarHBondContact O-ND1 3.02Å; L290-H293 PolarHBondContact O-N 3.1Å; H293-L296 PolarHBondContact O-N 2.92Å; H293-K370 PolarHBondContact CD2-NZ 3.43Å; H293-K370 VanDerWaalsContact CD2-NZ 3.29Å; H293-K370 PolarHBondContact NE2-NZ 3.03Å
294	I	93.5	Very high	96.2	Very high	28 Å²	28	28 Å²	28	14%	0.144	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140	173.4	58.4	174.5	0	0	0	110.7	L169 A352 L359	L169-I294 WeakPolarHBondContact CB-O 3.08Å; I294-A352 HydrophobicContact CG2-CB 4.1Å; I294-L359 HydrophobicContact CG2-CB 4.05Å; I294-L359 WeakPolarHBondContact CG2-O 3.41Å
295	P	93.4	Very high	96.1	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.071	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.8	19.9	18.1	37.8	-37	0	0	0	115.7	V170 W174	V170-P295 WeakPolarHBondContact O-CD 3.34Å; W174-P295 HydrophobicContact CB-CG 3.8Å; W174-P295 HydrophobicContact CE3-CB 4.42Å; W174-P295 WeakPolarHBondContact CZ3-O 3.33Å; W174-P295 WeakPolarHBondContact O-CB 3.39Å; W174-P295 WeakPolarHBondContact O-CG 3.39Å
296	L	95.4	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.			trans	64.8	54.1	175.1	-49.1	168.4	0	0	0	114.5	W174 V292 H293 T298 L310 Y311 N314 L359	W174-L296 WeakPolarHBondContact CZ3-O 3.33Å; V292-L296 HydrophobicContact CB-CD2 4.39Å; V292-L296 WeakPolarHBondContact O-CD2 3.2Å; H293-L296 PolarHBondContact O-N 2.92Å; L296-T298 PolarHBondContact O-N 3.18Å; L296-T298 VanDerWaalsContact O-N 3.09Å; L296-T298 PolarHBondContact O-OG1 3.29Å; L296-L310 HydrophobicContact CB-CD2 3.88Å; L296-L310 HydrophobicContact CB-CG 3.88Å; L296-L310 HydrophobicContact CD1-CB 4.32Å; L296-L310 HydrophobicContact CD1-CD2 4.16Å; L296-L310 HydrophobicContact CD1-CG 4.06Å; L296-Y311 HydrophobicContact CD1-CD2 4.36Å; L296-Y311 HydrophobicContact CD2-CD2 3.95Å; L296-N314 HydrophobicContact CB-CB 4.18Å; L296-N314 HydrophobicContact CD2-CB 4.1Å; L296-L359 HydrophobicContact CD1-CB 4.14Å; L296-L359 HydrophobicContact CD1-CD2 3.99Å; L296-L359 WeakPolarHBondContact CD1-O 3.43Å
297	P	94	Very high	95.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.019	22%	0.219	C	C	.	.			trans	-58.7	117.6	174.8	28.2	-34.7	0	0	0	110.1	L169 W174 A260 N314	L169-P297 HydrophobicContact CD1-CG 3.69Å; W174-P297 HydrophobicContact CB-CB 4.12Å; W174-P297 HydrophobicContact CD2-CB 4.03Å; W174-P297 HydrophobicContact CG-CB 3.77Å; A260-P297 HydrophobicContact CB-CB 3.6Å; A260-P297 HydrophobicContact CB-CG 3.97Å; P297-N314 PolarHBondContact O-ND2 2.82Å
298	T	94.2	Very high	95.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	24%	0.235	C	C	.	.			trans	-131.6	138.6	-170.8	-55.1	0	0	0	0	109.8	L296 F302 I303 L310 D313 N314 E317	L296-T298 PolarHBondContact O-N 3.18Å; L296-T298 VanDerWaalsContact O-N 3.09Å; L296-T298 PolarHBondContact O-OG1 3.29Å; T298-F302 HydrophobicContact CG2-CB 3.73Å; T298-I303 HydrophobicContact CG2-CG1 4.09Å; T298-L310 HydrophobicContact CG2-CD1 4.45Å; T298-L310 WeakPolarHBondContact OG1-CD1 3.29Å; T298-D313 HydrophobicContact CG2-CB 3.86Å; T298-N314 PolarHBondContact OG1-ND2 3.35Å; T298-E317 VanDerWaalsContact CA-OE2 3.25Å; T298-E317 WeakPolarHBondContact CA-OE2 3.28Å; T298-E317 WeakPolarHBondContact CG2-OE2 3.38Å
299	T	93.3	Very high	95.3	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.239	25%	0.253	C	S	.	.			trans	-77.1	153.2	178	54.7	0	0	0	0	112.6	E261 D301 F302 I303 E317	E261-T299 WeakPolarHBondContact O-CG2 3.48Å; T299-D301 PolarHBondContact O-N 2.9Å; T299-F302 PolarHBondContact O-N 3.29Å; T299-F302 WeakPolarHBondContact OG1-CD2 3.36Å; T299-I303 PolarHBondContact O-N 3.47Å; T299-E317 WeakPolarHBondContact CB-OE1 3.46Å; T299-E317 WeakPolarHBondContact CG2-OE1 3.09Å; T299-E317 PolarHBondContact N-OE2 3.04Å; T299-E317 VanDerWaalsContact OG1-CD 3.22Å; T299-E317 PolarHBondContact OG1-OE1 3.41Å
300	D	92.3	Very high	95.2	Very high	142 Å²	142	46.7 Å²	46.7	76%	0.759	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.7	-175.1	-68.4	-21.3	0	0	0	113.7	F302	D300-F302 PolarHBondContact O-N 2.81Å
301	D	94.1	Very high	95.2	Very high	143 Å²	143	46.7 Å²	46.7	77%	0.765	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23	178.5	-71.3	-17.8	0	0	0	113.2	T299 T305	T299-D301 PolarHBondContact O-N 2.9Å; D301-T305 WeakPolarHBondContact O-CG2 3.19Å
302	F	96.4	Very high	95.2	Very high	40 Å²	40	46.4 Å²	46.4	18%	0.175	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-20.5	-178.1	-70.9	-90.8	0	0	0	113.4	T298 T299 D300 G304 T305 D313 E316 E317	T298-F302 HydrophobicContact CG2-CB 3.73Å; T299-F302 PolarHBondContact O-N 3.29Å; T299-F302 WeakPolarHBondContact OG1-CD2 3.36Å; D300-F302 PolarHBondContact O-N 2.81Å; F302-G304 PolarHBondContact O-N 3.4Å; F302-T305 WeakPolarHBondContact O-CB 3.41Å; F302-T305 WeakPolarHBondContact O-CG2 3.49Å; F302-T305 PolarHBondContact O-N 3.25Å; F302-T305 VanDerWaalsContact O-N 3.11Å; F302-T305 PolarHBondContact O-OG1 2.59Å; F302-D313 HydrophobicContact CB-CB 4.47Å; F302-D313 VanDerWaalsContact O-CB 3.3Å; F302-D313 WeakPolarHBondContact O-CB 3.04Å; F302-D313 VanDerWaalsContact O-OD1 3.06Å; F302-E316 HydrophobicContact CD1-CB 4.12Å; F302-E316 HydrophobicContact CE1-CB 4.39Å; F302-E317 HydrophobicContact CB-CB 4.23Å; F302-E317 HydrophobicContact CD1-CB 3.87Å; F302-E317 HydrophobicContact CD2-CB 3.81Å; F302-E317 HydrophobicContact CD2-CG 3.79Å; F302-E317 HydrophobicContact CE1-CB 4.17Å; F302-E317 HydrophobicContact CE2-CB 4.11Å; F302-E317 HydrophobicContact CE2-CG 3.89Å; F302-E317 HydrophobicContact CG-CB 3.69Å; F302-E317 HydrophobicContact CG-CG 4.2Å; F302-E317 HydrophobicContact CZ-CB 4.29Å; F302-E317 HydrophobicContact CZ-CG 4.38Å
303	I	95.3	Very high	95.2	Very high	82 Å²	82	46.6 Å²	46.6	42%	0.421	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	122.3	-178.3	-68.1	175.8	0	0	0	110.9	T298 T299 T305	T298-I303 HydrophobicContact CG2-CG1 4.09Å; T299-I303 PolarHBondContact O-N 3.47Å; I303-T305 VanDerWaalsContact C-N 3.31Å
304	G	95.5	Very high	95.2	Very high	63 Å²	63	45.8 Å²	45.8	65%	0.649	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	14.2	177.3	0	0	0	0	0	114.5	F302 D313	F302-G304 PolarHBondContact O-N 3.4Å; G304-D313 VanDerWaalsContact N-CG 3.33Å; G304-D313 PolarHBondContact N-OD1 2.69Å; G304-D313 PolarHBondContact N-OD2 3.22Å
305	T	96	Very high	95.5	Very high	59 Å²	59	44.4 Å²	44.4	36%	0.362	25%	0.253	S	S	.	.			trans	-88.2	-27.2	-179.3	64.8	0	0	0	0	112.9	D301 F302 I303 D313	D301-T305 WeakPolarHBondContact O-CG2 3.19Å; F302-T305 WeakPolarHBondContact O-CB 3.41Å; F302-T305 WeakPolarHBondContact O-CG2 3.49Å; F302-T305 PolarHBondContact O-N 3.25Å; F302-T305 VanDerWaalsContact O-N 3.11Å; F302-T305 PolarHBondContact O-OG1 2.59Å; I303-T305 VanDerWaalsContact C-N 3.31Å; T305-D313 PolarHBondContact N-OD1 3.23Å
306	S	96.6	Very high	95.7	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	25%	0.251	C	S	.	.	S	Bend	trans	-93.3	150.9	-178.9	-162.8	0	0	0	0	112.9	H308 G312 D313 E316	S306-H308 PolarHBondContact O-N 2.54Å; S306-G312 WeakPolarHBondContact OG-CA 3.32Å; S306-D313 WeakPolarHBondContact CA-OD1 3.46Å; S306-D313 VanDerWaalsContact CB-N 3.33Å; S306-D313 WeakPolarHBondContact CB-OD1 3.42Å; S306-D313 PolarHBondContact N-OD1 3.3Å; S306-E316 WeakPolarHBondContact CB-OE1 3.46Å; S306-E316 PolarHBondContact OG-OE1 3.37Å
307	K	94.3	Very high	95.9	Very high	171 Å²	171	44.9 Å²	44.9	74%	0.743	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.8	174.4	-66	-179.9	-178	173.3	0	113.2	T52 G309	T52-K307 HydrophobicContact CG2-CD 4.22Å; K307-G309 VanDerWaalsContact C-N 3.32Å
308	H	94.4	Very high	96.1	Very high	75 Å²	75	44.8 Å²	44.8	35%	0.347	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	23	-178	-70.8	-102.6	0	0	0	112.6	T52 I53 S306 G312	T52-H308 PolarHBondContact OG1-NE2 2.65Å; I53-H308 HydrophobicContact CD1-CB 4.27Å; I53-H308 HydrophobicContact CG1-CB 4.32Å; I53-H308 VanDerWaalsContact CG1-CD2 3.42Å; I53-H308 WeakPolarHBondContact CG1-CD2 3.47Å; S306-H308 PolarHBondContact O-N 2.54Å; H308-G312 PolarHBondContact O-N 2.79Å
309	G	94.6	Very high	96.3	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	25%	0.253	S	S	.	.	H	α-helix	trans	56.9	-148.6	-177	0	0	0	0	0	111.6	K307 Y311 G312 D313	K307-G309 VanDerWaalsContact C-N 3.32Å; G309-Y311 PolarHBondContact O-N 3Å; G309-Y311 VanDerWaalsContact O-N 3.17Å; G309-G312 PolarHBondContact O-N 3.08Å; G309-D313 VanDerWaalsContact O-CG 3.26Å; G309-D313 PolarHBondContact O-N 3.41Å
310	L	95.6	Very high	96.6	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-32.5	-173.5	-172.9	67.4	0	0	0	113.7	W174 L296 T298 D313 N314	W174-L310 HydrophobicContact CH2-CD1 4Å; W174-L310 HydrophobicContact CH2-CD2 3.83Å; W174-L310 HydrophobicContact CZ3-CD1 4.48Å; W174-L310 HydrophobicContact CZ3-CD2 3.54Å; L296-L310 HydrophobicContact CB-CD2 3.88Å; L296-L310 HydrophobicContact CB-CG 3.88Å; L296-L310 HydrophobicContact CD1-CB 4.32Å; L296-L310 HydrophobicContact CD1-CD2 4.16Å; L296-L310 HydrophobicContact CD1-CG 4.06Å; T298-L310 HydrophobicContact CG2-CD1 4.45Å; T298-L310 WeakPolarHBondContact OG1-CD1 3.29Å; L310-D313 PolarHBondContact O-N 3.32Å; L310-N314 WeakPolarHBondContact O-CB 3.37Å; L310-N314 PolarHBondContact O-N 2.61Å
311	Y	97.5	Very high	96.9	Very high	5 Å²	5	38 Å²	38	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-49.7	175.4	178.6	-95.5	0	0	0	110.9	D44 I53 V292 L296 G309 D313 N314 V315 L359 G361	D44-Y311 PolarHBondContact OD2-OH 2.67Å; I53-Y311 HydrophobicContact CD1-CE1 4.46Å; V292-Y311 HydrophobicContact CB-CE2 3.93Å; V292-Y311 HydrophobicContact CG2-CE2 3.63Å; V292-Y311 WeakPolarHBondContact CG2-OH 3.18Å; L296-Y311 HydrophobicContact CD1-CD2 4.36Å; L296-Y311 HydrophobicContact CD2-CD2 3.95Å; G309-Y311 PolarHBondContact O-N 3Å; G309-Y311 VanDerWaalsContact O-N 3.17Å; Y311-D313 VanDerWaalsContact C-N 3.34Å; Y311-D313 PolarHBondContact O-N 2.92Å; Y311-N314 PolarHBondContact O-N 2.77Å; Y311-V315 HydrophobicContact CD1-CG2 4.09Å; Y311-V315 HydrophobicContact CE1-CG2 3.53Å; Y311-V315 HydrophobicContact CE2-CG2 4.38Å; Y311-V315 WeakPolarHBondContact O-CG2 3.23Å; Y311-V315 PolarHBondContact O-N 3.44Å; Y311-L359 WeakPolarHBondContact CD2-O 2.95Å; Y311-G361 VanDerWaalsContact CE2-N 3.31Å; Y311-G361 WeakPolarHBondContact OH-CA 3.4Å
312	G	97.9	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-41.3	176.4	0	0	0	0	0	112.5	S306 H308 G309 N314 V315 E316	S306-G312 WeakPolarHBondContact OG-CA 3.32Å; H308-G312 PolarHBondContact O-N 2.79Å; G309-G312 PolarHBondContact O-N 3.08Å; G312-N314 VanDerWaalsContact C-N 3.28Å; G312-N314 PolarHBondContact O-N 2.82Å; G312-V315 PolarHBondContact O-N 3.14Å; G312-E316 WeakPolarHBondContact O-CG 3.5Å; G312-E316 PolarHBondContact O-N 3.04Å
313	D	97.9	Very high	97.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-43.9	176.2	-60.4	-27.1	0	0	0	110.8	T298 F302 G304 T305 S306 G309 L310 Y311 E316 E317	T298-D313 HydrophobicContact CG2-CB 3.86Å; F302-D313 HydrophobicContact CB-CB 4.47Å; F302-D313 VanDerWaalsContact O-CB 3.3Å; F302-D313 WeakPolarHBondContact O-CB 3.04Å; F302-D313 VanDerWaalsContact O-OD1 3.06Å; G304-D313 VanDerWaalsContact N-CG 3.33Å; G304-D313 PolarHBondContact N-OD1 2.69Å; G304-D313 PolarHBondContact N-OD2 3.22Å; T305-D313 PolarHBondContact N-OD1 3.23Å; S306-D313 WeakPolarHBondContact CA-OD1 3.46Å; S306-D313 VanDerWaalsContact CB-N 3.33Å; S306-D313 WeakPolarHBondContact CB-OD1 3.42Å; S306-D313 PolarHBondContact N-OD1 3.3Å; G309-D313 VanDerWaalsContact O-CG 3.26Å; G309-D313 PolarHBondContact O-N 3.41Å; L310-D313 PolarHBondContact O-N 3.32Å; Y311-D313 VanDerWaalsContact C-N 3.34Å; Y311-D313 PolarHBondContact O-N 2.92Å; D313-E316 PolarHBondContact O-N 3.34Å; D313-E317 WeakPolarHBondContact O-CB 3.49Å; D313-E317 PolarHBondContact O-N 3.31Å
314	N	97.9	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-35.9	178.3	-155.1	-113.2	0	0	0	112.7	H291 V292 L296 P297 T298 L310 Y311 G312 M318	H291-N314 PolarHBondContact CD2-ND2 2.94Å; H291-N314 PolarHBondContact CD2-O 3.32Å; H291-N314 PolarHBondContact CD2-OD1 3.25Å; H291-N314 PolarHBondContact NE2-ND2 2.88Å; V292-N314 WeakPolarHBondContact CA-OD1 3.4Å; V292-N314 HydrophobicContact CG1-CB 4.35Å; L296-N314 HydrophobicContact CB-CB 4.18Å; L296-N314 HydrophobicContact CD2-CB 4.1Å; P297-N314 PolarHBondContact O-ND2 2.82Å; T298-N314 PolarHBondContact OG1-ND2 3.35Å; L310-N314 WeakPolarHBondContact O-CB 3.37Å; L310-N314 PolarHBondContact O-N 2.61Å; Y311-N314 PolarHBondContact O-N 2.77Å; G312-N314 VanDerWaalsContact C-N 3.28Å; G312-N314 PolarHBondContact O-N 2.82Å; N314-M318 VanDerWaalsContact O-CB 3.31Å; N314-M318 WeakPolarHBondContact O-CB 3.13Å; N314-M318 PolarHBondContact O-N 3.39Å
315	V	98.7	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-43.8	172.9	178.8	0	0	0	0	110.9	L40 I53 T55 V292 Y311 G312 M318 D319	L40-V315 HydrophobicContact CD1-CG1 4.33Å; L40-V315 HydrophobicContact CD1-CG2 4.23Å; I53-V315 HydrophobicContact CG2-CB 3.91Å; I53-V315 HydrophobicContact CG2-CG1 3.57Å; T55-V315 HydrophobicContact CG2-CG1 3.87Å; V292-V315 HydrophobicContact CB-CG2 4.32Å; V292-V315 HydrophobicContact CG1-CB 4.32Å; V292-V315 HydrophobicContact CG1-CG2 3.73Å; V292-V315 HydrophobicContact CG2-CG2 4.34Å; Y311-V315 HydrophobicContact CD1-CG2 4.09Å; Y311-V315 HydrophobicContact CE1-CG2 3.53Å; Y311-V315 HydrophobicContact CE2-CG2 4.38Å; Y311-V315 WeakPolarHBondContact O-CG2 3.23Å; Y311-V315 PolarHBondContact O-N 3.44Å; G312-V315 PolarHBondContact O-N 3.14Å; V315-M318 HydrophobicContact CG1-CE 4.43Å; V315-M318 PolarHBondContact O-N 3.36Å; V315-D319 PolarHBondContact O-N 3.32Å
316	E	98.6	Very high	97.7	Very high	9 Å²	9	25 Å²	25	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-37.6	179.1	-67.7	-176	-158.2	0	0	111.7	I53 R54 F302 S306 G312 D313 D319 S320	I53-E316 HydrophobicContact CG2-CG 4.11Å; R54-E316 HydrophobicContact CB-CG 4.1Å; R54-E316 IonicContact CZ-OE2 2.85Å; R54-E316 PolarHBondContact N-OE1 3.24Å; R54-E316 IonicContact NE-OE1 3.21Å; R54-E316 IonicContact NE-OE2 3.3Å; R54-E316 PolarHBondContact NE-OE2 3.12Å; R54-E316 IonicContact NH2-OE2 3.9Å; R54-E316 PolarHBondContact NH2-OE2 3.46Å; F302-E316 HydrophobicContact CD1-CB 4.12Å; F302-E316 HydrophobicContact CE1-CB 4.39Å; S306-E316 WeakPolarHBondContact CB-OE1 3.46Å; S306-E316 PolarHBondContact OG-OE1 3.37Å; G312-E316 WeakPolarHBondContact O-CG 3.5Å; G312-E316 PolarHBondContact O-N 3.04Å; D313-E316 PolarHBondContact O-N 3.34Å; E316-D319 PolarHBondContact O-N 3.2Å; E316-S320 PolarHBondContact O-N 2.9Å
317	E	98.6	Very high	97.8	Very high	12 Å²	12	27.1 Å²	27.1	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-43.9	171.6	-175.1	168.9	-163.5	0	0	111.5	H291 T298 T299 F302 D313 D319 S320 M321	H291-E317 IonicContact NE2-OE2 3.25Å; T298-E317 VanDerWaalsContact CA-OE2 3.25Å; T298-E317 WeakPolarHBondContact CA-OE2 3.28Å; T298-E317 WeakPolarHBondContact CG2-OE2 3.38Å; T299-E317 WeakPolarHBondContact CB-OE1 3.46Å; T299-E317 WeakPolarHBondContact CG2-OE1 3.09Å; T299-E317 PolarHBondContact N-OE2 3.04Å; T299-E317 VanDerWaalsContact OG1-CD 3.22Å; T299-E317 PolarHBondContact OG1-OE1 3.41Å; F302-E317 HydrophobicContact CB-CB 4.23Å; F302-E317 HydrophobicContact CD1-CB 3.87Å; F302-E317 HydrophobicContact CD2-CB 3.81Å; F302-E317 HydrophobicContact CD2-CG 3.79Å; F302-E317 HydrophobicContact CE1-CB 4.17Å; F302-E317 HydrophobicContact CE2-CB 4.11Å; F302-E317 HydrophobicContact CE2-CG 3.89Å; F302-E317 HydrophobicContact CG-CB 3.69Å; F302-E317 HydrophobicContact CG-CG 4.2Å; F302-E317 HydrophobicContact CZ-CB 4.29Å; F302-E317 HydrophobicContact CZ-CG 4.38Å; D313-E317 WeakPolarHBondContact O-CB 3.49Å; D313-E317 PolarHBondContact O-N 3.31Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 2.91Å; E317-S320 WeakPolarHBondContact O-CB 3.13Å; E317-S320 PolarHBondContact O-N 2.86Å; E317-M321 HydrophobicContact CG-CE 4.25Å; E317-M321 WeakPolarHBondContact O-CG 3.35Å; E317-M321 PolarHBondContact O-N 2.92Å
318	M	98.6	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-40.4	175.5	177.7	-123.7	55.8	0	0	112.3	V37 I58 F289 H291 V292 N314 V315 M321 M322	V37-M318 HydrophobicContact CB-SD 4.19Å; V37-M318 HydrophobicContact CG1-CG 4.39Å; V37-M318 HydrophobicContact CG1-SD 3.5Å; V37-M318 VanDerWaalsContact CG1-SD 3.5Å; V37-M318 HydrophobicContact CG2-SD 3.5Å; V37-M318 VanDerWaalsContact CG2-SD 3.5Å; I58-M318 HydrophobicContact CD1-CE 3.25Å; I58-M318 HydrophobicContact CD1-SD 4.48Å; F289-M318 HydrophobicContact CD1-CG 3.84Å; F289-M318 HydrophobicContact CD2-CG 4.31Å; F289-M318 HydrophobicContact CE1-CG 3.8Å; F289-M318 HydrophobicContact CE2-CG 4.24Å; F289-M318 HydrophobicContact CG-CG 4.12Å; F289-M318 HydrophobicContact CZ-CG 4.01Å; H291-M318 HydrophobicContact CB-CB 3.88Å; H291-M318 HydrophobicContact CB-CG 4.04Å; V292-M318 HydrophobicContact CG1-CB 4.36Å; N314-M318 VanDerWaalsContact O-CB 3.31Å; N314-M318 WeakPolarHBondContact O-CB 3.13Å; N314-M318 PolarHBondContact O-N 3.39Å; V315-M318 HydrophobicContact CG1-CE 4.43Å; V315-M318 PolarHBondContact O-N 3.36Å; M318-M321 HydrophobicContact CB-CE 4.31Å; M318-M321 PolarHBondContact O-N 3.24Å; M318-M322 WeakPolarHBondContact O-CB 3.17Å; M318-M322 PolarHBondContact O-N 2.93Å
319	D	98.8	Very high	98.2	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-39.1	175.9	-174.4	78.8	0	0	0	111.9	T55 P56 H57 I58 V315 E316 E317 M321 M322 G323	T55-D319 VanDerWaalsContact C-CG 3.43Å; T55-D319 VanDerWaalsContact C-OD1 3.26Å; T55-D319 VanDerWaalsContact C-OD2 3.26Å; T55-D319 WeakPolarHBondContact CA-OD1 3.35Å; T55-D319 WeakPolarHBondContact CA-OD2 3.45Å; T55-D319 HydrophobicContact CG2-CB 4.27Å; P56-D319 WeakPolarHBondContact CD-OD2 3.27Å; P56-D319 WeakPolarHBondContact CG-OD2 3.02Å; P56-D319 VanDerWaalsContact N-OD2 3.14Å; H57-D319 WeakPolarHBondContact CB-OD2 3.48Å; H57-D319 PolarHBondContact CD2-O 2.86Å; H57-D319 IonicContact CD2-OD2 2.89Å; H57-D319 PolarHBondContact CD2-OD2 3.21Å; H57-D319 IonicContact CG-OD2 3.17Å; H57-D319 PolarHBondContact N-OD1 3.43Å; H57-D319 PolarHBondContact N-OD2 2.96Å; I58-D319 WeakPolarHBondContact CB-OD1 3.45Å; I58-D319 HydrophobicContact CD1-CB 4.43Å; I58-D319 WeakPolarHBondContact CD1-OD1 3.29Å; I58-D319 VanDerWaalsContact CG1-OD1 3.23Å; I58-D319 WeakPolarHBondContact CG1-OD1 3.35Å; I58-D319 PolarHBondContact N-OD1 2.96Å; V315-D319 PolarHBondContact O-N 3.32Å; E316-D319 PolarHBondContact O-N 3.2Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 2.91Å; D319-M321 PolarHBondContact O-N 2.9Å; D319-M322 WeakPolarHBondContact O-CB 3.41Å; D319-M322 PolarHBondContact O-N 3.2Å; D319-G323 PolarHBondContact O-N 2.98Å
320	S	98.7	Very high	98.3	Very high	32 Å²	32	15.9 Å²	15.9	22%	0.224	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-42.7	173	180	0	0	0	0	112.3	E316 E317 M322 G323 K324	E316-S320 PolarHBondContact O-N 2.9Å; E317-S320 WeakPolarHBondContact O-CB 3.13Å; E317-S320 PolarHBondContact O-N 2.86Å; S320-M322 VanDerWaalsContact C-N 3.33Å; S320-M322 PolarHBondContact O-N 3.12Å; S320-G323 PolarHBondContact O-N 2.99Å; S320-K324 PolarHBondContact O-N 3.36Å; S320-K324 VanDerWaalsContact O-N 3.16Å
321	M	98.6	Very high	98.5	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.03	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-41.6	173.6	-72.5	-167.1	-74.4	0	0	112	V268 F289 H291 E317 M318 D319 G323 K324 I325	V268-M321 HydrophobicContact CG2-CB 3.65Å; V268-M321 HydrophobicContact CG2-CG 3.7Å; V268-M321 HydrophobicContact CG2-SD 3.8Å; F289-M321 HydrophobicContact CD1-CE 3.99Å; F289-M321 HydrophobicContact CE1-CB 3.86Å; F289-M321 HydrophobicContact CE1-CE 3.76Å; F289-M321 HydrophobicContact CE1-SD 4.28Å; F289-M321 HydrophobicContact CZ-CB 4.3Å; H291-M321 WeakPolarHBondContact NE2-CE 3.4Å; E317-M321 HydrophobicContact CG-CE 4.25Å; E317-M321 WeakPolarHBondContact O-CG 3.35Å; E317-M321 PolarHBondContact O-N 2.92Å; M318-M321 HydrophobicContact CB-CE 4.31Å; M318-M321 PolarHBondContact O-N 3.24Å; D319-M321 PolarHBondContact O-N 2.9Å; M321-G323 VanDerWaalsContact C-N 3.33Å; M321-G323 PolarHBondContact O-N 3.22Å; M321-K324 PolarHBondContact O-N 2.79Å; M321-I325 PolarHBondContact O-N 2.92Å
322	M	98.4	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-44.2	173.6	-179	64.6	175.2	0	0	111.4	I35 I58 L61 M318 D319 S320 K324 I325 L326 V340 F342	I35-M322 HydrophobicContact CD1-CE 3.6Å; I35-M322 HydrophobicContact CD1-SD 3.38Å; I35-M322 WeakPolarHBondContact CD1-SD 3.29Å; I35-M322 HydrophobicContact CG2-SD 4Å; I58-M322 HydrophobicContact CG1-CB 4.45Å; I58-M322 HydrophobicContact CG1-CG 3.92Å; L61-M322 HydrophobicContact CD2-CE 3.6Å; M318-M322 WeakPolarHBondContact O-CB 3.17Å; M318-M322 PolarHBondContact O-N 2.93Å; D319-M322 WeakPolarHBondContact O-CB 3.41Å; D319-M322 PolarHBondContact O-N 3.2Å; S320-M322 VanDerWaalsContact C-N 3.33Å; S320-M322 PolarHBondContact O-N 3.12Å; M322-K324 PolarHBondContact O-N 3.04Å; M322-I325 PolarHBondContact O-N 3.06Å; M322-L326 HydrophobicContact CE-CD1 3.98Å; M322-L326 HydrophobicContact CE-CD2 3.96Å; M322-L326 HydrophobicContact CE-CG 4.01Å; M322-L326 HydrophobicContact CG-CD1 4.2Å; M322-L326 HydrophobicContact CG-CG 4.42Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 3.3Å; M322-L326 HydrophobicContact SD-CG 4.44Å; M322-V340 HydrophobicContact CE-CG1 4.44Å; M322-F342 HydrophobicContact CE-CB 4.43Å; M322-F342 HydrophobicContact CE-CD2 4Å; M322-F342 HydrophobicContact SD-CD2 4.37Å
323	G	98.7	Very high	98.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-52.6	-50.1	174.5	0	0	0	0	0	112.8	H57 D319 S320 M321 I325 L326 D327	H57-G323 VanDerWaalsContact CG-CA 3.41Å; H57-G323 WeakPolarHBondContact ND1-CA 3.3Å; D319-G323 PolarHBondContact O-N 2.98Å; S320-G323 PolarHBondContact O-N 2.99Å; M321-G323 VanDerWaalsContact C-N 3.33Å; M321-G323 PolarHBondContact O-N 3.22Å; G323-I325 VanDerWaalsContact C-N 3.31Å; G323-I325 PolarHBondContact O-N 3.21Å; G323-L326 PolarHBondContact O-N 2.81Å; G323-L326 VanDerWaalsContact O-N 3.16Å; G323-D327 WeakPolarHBondContact O-CB 2.98Å; G323-D327 VanDerWaalsContact O-CG 3.24Å; G323-D327 PolarHBondContact O-N 3.26Å
324	K	98.8	Very high	98.5	Very high	113 Å²	113	25.7 Å²	25.7	49%	0.491	15%	0.148	S	C	.	.	H	α-helix	trans	-58.9	-38.9	178.9	-66.2	171.2	-174.8	171	0	113.1	V268 S320 M321 M322 A328	V268-K324 HydrophobicContact CG1-CB 3.88Å; V268-K324 HydrophobicContact CG1-CD 4.15Å; S320-K324 PolarHBondContact O-N 3.36Å; S320-K324 VanDerWaalsContact O-N 3.16Å; M321-K324 PolarHBondContact O-N 2.79Å; M322-K324 PolarHBondContact O-N 3.04Å; K324-A328 WeakPolarHBondContact O-CB 3.19Å; K324-A328 PolarHBondContact O-N 2.87Å
325	I	98.8	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.6	-44.2	177.4	-63.1	169.4	0	0	0	110.4	I35 V268 A271 L275 F287 M321 M322 G323 A328 I329	I35-I325 HydrophobicContact CD1-CG2 4.45Å; V268-I325 HydrophobicContact CG1-CG1 4.39Å; A271-I325 HydrophobicContact CB-CD1 4.46Å; A271-I325 HydrophobicContact CB-CG1 4.46Å; L275-I325 HydrophobicContact CD1-CG2 4.44Å; F287-I325 HydrophobicContact CD1-CD1 4.04Å; F287-I325 HydrophobicContact CD2-CD1 3.79Å; F287-I325 HydrophobicContact CE1-CD1 4.02Å; F287-I325 HydrophobicContact CE2-CD1 3.74Å; F287-I325 HydrophobicContact CG-CD1 3.92Å; F287-I325 HydrophobicContact CZ-CD1 3.86Å; M321-I325 PolarHBondContact O-N 2.92Å; M322-I325 PolarHBondContact O-N 3.06Å; G323-I325 VanDerWaalsContact C-N 3.31Å; G323-I325 PolarHBondContact O-N 3.21Å; I325-A328 PolarHBondContact O-N 2.84Å; I325-I329 HydrophobicContact CG2-CD1 4.35Å; I325-I329 WeakPolarHBondContact O-CG1 3.36Å; I325-I329 PolarHBondContact O-N 3.1Å; I325-I329 VanDerWaalsContact O-N 3.1Å
326	L	98.8	Very high	98.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-42.4	178.1	-69.1	-179.6	0	0	0	112.2	L61 M322 G323 I329 D330 V340	L61-L326 HydrophobicContact CB-CD1 4.3Å; L61-L326 HydrophobicContact CD1-CD1 4.42Å; L61-L326 HydrophobicContact CD1-CD2 4.06Å; M322-L326 HydrophobicContact CE-CD1 3.98Å; M322-L326 HydrophobicContact CE-CD2 3.96Å; M322-L326 HydrophobicContact CE-CG 4.01Å; M322-L326 HydrophobicContact CG-CD1 4.2Å; M322-L326 HydrophobicContact CG-CG 4.42Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 3.3Å; M322-L326 HydrophobicContact SD-CG 4.44Å; G323-L326 PolarHBondContact O-N 2.81Å; G323-L326 VanDerWaalsContact O-N 3.16Å; L326-I329 WeakPolarHBondContact O-CB 3.45Å; L326-I329 PolarHBondContact O-N 3.38Å; L326-D330 PolarHBondContact O-N 2.92Å; L326-D330 VanDerWaalsContact O-N 3.12Å; L326-V340 HydrophobicContact CD2-CG1 4.07Å; L326-V340 HydrophobicContact CD2-CG2 4.46Å
327	D	98.7	Very high	98.2	Very high	58 Å²	58	37 Å²	37	31%	0.31	21%	0.205	S	C	.	.	H	α-helix	trans	-66.5	-39.7	178.1	-66.8	-22	0	0	0	110.4	R60 G323 I329 D330 D331	R60-D327 IonicContact NH1-OD1 3.09Å; R60-D327 PolarHBondContact NH1-OD1 2.94Å; R60-D327 VanDerWaalsContact NH1-OD1 3.09Å; G323-D327 WeakPolarHBondContact O-CB 2.98Å; G323-D327 VanDerWaalsContact O-CG 3.24Å; G323-D327 PolarHBondContact O-N 3.26Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.45Å; D327-D330 CarbonylContact O-C 3.51Å; D327-D330 WeakPolarHBondContact O-CB 3.47Å; D327-D330 PolarHBondContact O-N 2.99Å; D327-D330 VanDerWaalsContact O-N 3.08Å; D327-D331 WeakPolarHBondContact O-CB 3.48Å; D327-D331 VanDerWaalsContact O-CG 3.28Å; D327-D331 PolarHBondContact O-N 2.66Å
328	A	98.7	Very high	98.2	Very high	7 Å²	7	36.4 Å²	36.4	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-38.2	173.3	0	0	0	0	0	113.3	I272 L275 K324 I325 D330 F332	I272-A328 HydrophobicContact CB-CB 4.5Å; I272-A328 HydrophobicContact CD1-CB 4.41Å; I272-A328 HydrophobicContact CG1-CB 3.85Å; I272-A328 HydrophobicContact CG2-CB 4.18Å; L275-A328 HydrophobicContact CD1-CB 4.27Å; K324-A328 WeakPolarHBondContact O-CB 3.19Å; K324-A328 PolarHBondContact O-N 2.87Å; I325-A328 PolarHBondContact O-N 2.84Å; A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 3.26Å; A328-F332 HydrophobicContact CB-CE2 4.26Å; A328-F332 HydrophobicContact CB-CZ 4.46Å; A328-F332 VanDerWaalsContact O-CB 3.29Å; A328-F332 WeakPolarHBondContact O-CB 3.41Å; A328-F332 VanDerWaalsContact O-CD2 3.29Å; A328-F332 WeakPolarHBondContact O-CD2 3.15Å; A328-F332 WeakPolarHBondContact O-CG 3.3Å; A328-F332 PolarHBondContact O-N 2.68Å
329	I	98.6	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-40.9	173.5	-68.8	166.6	0	0	0	110.7	V33 L275 I325 L326 D327 L334 R335 T338 V340	V33-I329 HydrophobicContact CB-CD1 4.49Å; V33-I329 HydrophobicContact CG1-CD1 4.36Å; V33-I329 HydrophobicContact CG2-CD1 4Å; L275-I329 HydrophobicContact CD1-CG1 3.85Å; L275-I329 HydrophobicContact CD2-CG1 4.44Å; I325-I329 HydrophobicContact CG2-CD1 4.35Å; I325-I329 WeakPolarHBondContact O-CG1 3.36Å; I325-I329 PolarHBondContact O-N 3.1Å; I325-I329 VanDerWaalsContact O-N 3.1Å; L326-I329 WeakPolarHBondContact O-CB 3.45Å; L326-I329 PolarHBondContact O-N 3.38Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.45Å; I329-L334 HydrophobicContact CG2-CB 4.11Å; I329-L334 WeakPolarHBondContact O-CB 3.48Å; I329-L334 PolarHBondContact O-N 3.49Å; I329-R335 PolarHBondContact O-N 3.35Å; I329-T338 HydrophobicContact CG2-CG2 4.39Å; I329-V340 HydrophobicContact CD1-CG2 3.96Å
330	D	98	Very high	98.2	Very high	38 Å²	38	37 Å²	37	20%	0.203	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-49.6	179.5	-70.5	-6.8	0	0	0	110.8	R60 L326 D327 A328 F332 G333 R335	R60-D330 IonicContact CZ-OD2 3.9Å; R60-D330 IonicContact NH2-OD2 3.88Å; R60-D330 PolarHBondContact NH2-OD2 3.24Å; L326-D330 PolarHBondContact O-N 2.92Å; L326-D330 VanDerWaalsContact O-N 3.12Å; D327-D330 CarbonylContact O-C 3.51Å; D327-D330 WeakPolarHBondContact O-CB 3.47Å; D327-D330 PolarHBondContact O-N 2.99Å; D327-D330 VanDerWaalsContact O-N 3.08Å; A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 3.26Å; D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 2.73Å; D330-G333 PolarHBondContact O-N 2.63Å; D330-R335 WeakPolarHBondContact OD1-CB 3.34Å; D330-R335 WeakPolarHBondContact OD1-CD 3.3Å; D330-R335 VanDerWaalsContact OD1-CG 3.25Å; D330-R335 WeakPolarHBondContact OD1-CG 3.48Å; D330-R335 IonicContact OD1-CZ 3.77Å; D330-R335 IonicContact OD1-NE 3.9Å; D330-R335 IonicContact OD1-NH1 3.48Å; D330-R335 PolarHBondContact OD1-NH1 3.14Å; D330-R335 IonicContact OD2-CZ 3.97Å; D330-R335 IonicContact OD2-NH1 3.59Å; D330-R335 PolarHBondContact OD2-NH1 3.24Å
331	D	98.3	Very high	98.2	Very high	134 Å²	134	35.6 Å²	35.6	72%	0.717	20%	0.195	S	C	*	.	H	α-helix	trans	-62.2	-33.5	-178.9	-72.5	-16.7	0	0	0	112.7	D327 G333	D327-D331 WeakPolarHBondContact O-CB 3.48Å; D327-D331 VanDerWaalsContact O-CG 3.28Å; D327-D331 PolarHBondContact O-N 2.66Å; D331-G333 PolarHBondContact O-N 2.95Å
332	F	98.2	Very high	98.2	Very high	47 Å²	47	35.3 Å²	35.3	21%	0.206	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.8	176.7	-60.6	-12.6	0	0	0	113.1	I272 L275 E276 R279 A328 D330 L334	I272-F332 HydrophobicContact CG2-CE2 4.15Å; I272-F332 HydrophobicContact CG2-CZ 3.88Å; L275-F332 HydrophobicContact CB-CD2 3.95Å; L275-F332 HydrophobicContact CB-CE2 3.97Å; E276-F332 HydrophobicContact CB-CE2 3.81Å; E276-F332 HydrophobicContact CB-CZ 4.06Å; R279-F332 HydrophobicContact CG-CB 4.21Å; R279-F332 HydrophobicContact CG-CD2 4.42Å; R279-F332 HydrophobicContact CG-CG 4.46Å; A328-F332 HydrophobicContact CB-CE2 4.26Å; A328-F332 HydrophobicContact CB-CZ 4.46Å; A328-F332 VanDerWaalsContact O-CB 3.29Å; A328-F332 WeakPolarHBondContact O-CB 3.41Å; A328-F332 VanDerWaalsContact O-CD2 3.29Å; A328-F332 WeakPolarHBondContact O-CD2 3.15Å; A328-F332 WeakPolarHBondContact O-CG 3.3Å; A328-F332 PolarHBondContact O-N 2.68Å; D330-F332 VanDerWaalsContact C-N 3.29Å; D330-F332 PolarHBondContact O-N 2.73Å; F332-L334 HydrophobicContact CB-CD1 3.89Å; F332-L334 HydrophobicContact CB-CG 3.92Å; F332-L334 HydrophobicContact CD2-CD1 4.43Å; F332-L334 PolarHBondContact O-N 2.59Å
333	G	97.3	Very high	98.2	Very high	66 Å²	66	35.3 Å²	35.3	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	18.1	179.2	0	0	0	0	0	113.8	D330 D331	D330-G333 PolarHBondContact O-N 2.63Å; D331-G333 PolarHBondContact O-N 2.95Å
334	L	97.6	Very high	98.2	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.063	19%	0.193	C	C	.	.			trans	-87.8	-14.4	-174.8	-59.2	173.2	0	0	0	112.5	R279 F283 I329 F332 N336 N337 T338	R279-L334 HydrophobicContact CB-CD2 4.5Å; R279-L334 HydrophobicContact CG-CD1 4.46Å; F283-L334 HydrophobicContact CE1-CD1 3.92Å; F283-L334 HydrophobicContact CZ-CD1 4.06Å; I329-L334 HydrophobicContact CG2-CB 4.11Å; I329-L334 WeakPolarHBondContact O-CB 3.48Å; I329-L334 PolarHBondContact O-N 3.49Å; F332-L334 HydrophobicContact CB-CD1 3.89Å; F332-L334 HydrophobicContact CB-CG 3.92Å; F332-L334 HydrophobicContact CD2-CD1 4.43Å; F332-L334 PolarHBondContact O-N 2.59Å; L334-N336 PolarHBondContact O-N 3.11Å; L334-N337 CarbonylContact O-C 3.44Å; L334-N337 PolarHBondContact O-N 2.84Å; L334-T338 WeakPolarHBondContact O-CB 3.4Å; L334-T338 PolarHBondContact O-N 2.86Å; L334-T338 PolarHBondContact O-OG1 2.93Å
335	R	97.4	Very high	98.2	Very high	56 Å²	56	29.9 Å²	29.9	21%	0.211	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-42.8	-52.4	-172.3	-176.2	179.5	179.4	78.5	7	115.4	E64 I329 D330 N337 P388	E64-R335 IonicContact OE1-NH2 3.43Å; E64-R335 PolarHBondContact OE1-NH2 3.1Å; E64-R335 IonicContact OE2-CZ 3.4Å; E64-R335 IonicContact OE2-NH1 2.79Å; E64-R335 PolarHBondContact OE2-NH1 3.29Å; E64-R335 VanDerWaalsContact OE2-NH1 3.17Å; E64-R335 IonicContact OE2-NH2 2.7Å; E64-R335 PolarHBondContact OE2-NH2 2.9Å; I329-R335 PolarHBondContact O-N 3.35Å; D330-R335 WeakPolarHBondContact OD1-CB 3.34Å; D330-R335 WeakPolarHBondContact OD1-CD 3.3Å; D330-R335 VanDerWaalsContact OD1-CG 3.25Å; D330-R335 WeakPolarHBondContact OD1-CG 3.48Å; D330-R335 IonicContact OD1-CZ 3.77Å; D330-R335 IonicContact OD1-NE 3.9Å; D330-R335 IonicContact OD1-NH1 3.48Å; D330-R335 PolarHBondContact OD1-NH1 3.14Å; D330-R335 IonicContact OD2-CZ 3.97Å; D330-R335 IonicContact OD2-NH1 3.59Å; D330-R335 PolarHBondContact OD2-NH1 3.24Å; R335-N337 VanDerWaalsContact C-N 3.34Å; R335-N337 PolarHBondContact O-N 3.39Å; R335-P388 HydrophobicContact CG-CG 4.13Å; R335-P388 WeakPolarHBondContact O-CD 3.18Å
336	N	96.1	Very high	98.2	Very high	115 Å²	115	29.9 Å²	29.9	62%	0.615	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-76.4	-22.3	-173.2	-67.6	-19.3	0	0	0	113.3	L334 W387	L334-N336 PolarHBondContact O-N 3.11Å; N336-W387 PolarHBondContact O-NE1 3.48Å
337	N	96.3	Very high	98.2	Very high	75 Å²	75	29.8 Å²	29.8	40%	0.401	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-104.2	17.2	178.9	-163.2	44.8	0	0	0	112.6	K29 P30 N31 L334 R335	K29-N337 PolarHBondContact O-ND2 3.14Å; P30-N337 CarbonylContact C-O 3.54Å; P30-N337 WeakPolarHBondContact CA-O 3.4Å; N31-N337 PolarHBondContact N-O 2.92Å; L334-N337 CarbonylContact O-C 3.44Å; L334-N337 PolarHBondContact O-N 2.84Å; R335-N337 VanDerWaalsContact C-N 3.34Å; R335-N337 PolarHBondContact O-N 3.39Å
338	T	98.3	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.9	-176.4	-54.5	0	0	0	0	110.9	N31 V33 I329 L334 V340	N31-T338 HydrophobicContact CB-CG2 3.95Å; N31-T338 WeakPolarHBondContact CB-OG1 3.43Å; N31-T338 PolarHBondContact ND2-OG1 3Å; N31-T338 WeakPolarHBondContact O-CA 3.35Å; V33-T338 HydrophobicContact CB-CG2 4.28Å; V33-T338 HydrophobicContact CG2-CG2 3.59Å; I329-T338 HydrophobicContact CG2-CG2 4.39Å; L334-T338 WeakPolarHBondContact O-CB 3.4Å; L334-T338 PolarHBondContact O-N 2.86Å; L334-T338 PolarHBondContact O-OG1 2.93Å; T338-V340 HydrophobicContact CG2-CG2 4.09Å
339	I	98.6	Very high	98	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.2	166.1	-51.5	176.8	0	0	0	107.2	P30 N31 V33 V385 W387 V413	P30-I339 HydrophobicContact CB-CD1 4.29Å; P30-I339 HydrophobicContact CB-CG1 4.14Å; P30-I339 HydrophobicContact CG-CD1 3.87Å; P30-I339 HydrophobicContact CG-CG1 4.28Å; N31-I339 PolarHBondContact O-N 3.05Å; V33-I339 PolarHBondContact N-O 2.99Å; I339-V385 HydrophobicContact CG2-CG1 4.21Å; I339-W387 HydrophobicContact CD1-CD2 4.05Å; I339-W387 HydrophobicContact CD1-CE3 3.52Å; I339-W387 HydrophobicContact CD1-CH2 3.92Å; I339-W387 HydrophobicContact CD1-CZ2 4.41Å; I339-W387 HydrophobicContact CD1-CZ3 3.44Å; I339-W387 VanDerWaalsContact CD1-CZ3 3.44Å; I339-W387 HydrophobicContact CG1-CB 4.36Å; I339-W387 HydrophobicContact CG1-CD2 3.45Å; I339-W387 VanDerWaalsContact CG1-CD2 3.45Å; I339-W387 HydrophobicContact CG1-CE3 3.44Å; I339-W387 VanDerWaalsContact CG1-CE3 3.44Å; I339-W387 HydrophobicContact CG1-CG 3.9Å; I339-W387 HydrophobicContact CG1-CH2 4.24Å; I339-W387 HydrophobicContact CG1-CZ2 4.27Å; I339-W387 HydrophobicContact CG1-CZ3 3.85Å; I339-V413 HydrophobicContact CD1-CB 4.11Å; I339-V413 HydrophobicContact CD1-CG1 4.04Å; I339-V413 HydrophobicContact CD1-CG2 3.77Å
340	V	98.9	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122	169.9	-176.2	0	0	0	0	108.7	V33 I35 L61 M322 L326 I329 T338 V385 R386	V33-V340 HydrophobicContact CB-CG2 4.27Å; V33-V340 WeakPolarHBondContact O-CA 3.39Å; I35-V340 HydrophobicContact CD1-CG1 4.23Å; L61-V340 HydrophobicContact CD1-CB 4.22Å; L61-V340 HydrophobicContact CD1-CG1 4Å; L61-V340 HydrophobicContact CD2-CG1 4.31Å; M322-V340 HydrophobicContact CE-CG1 4.44Å; L326-V340 HydrophobicContact CD2-CG1 4.07Å; L326-V340 HydrophobicContact CD2-CG2 4.46Å; I329-V340 HydrophobicContact CD1-CG2 3.96Å; T338-V340 HydrophobicContact CG2-CG2 4.09Å; V340-V385 CarbonylContact O-C 3.59Å; V340-V385 WeakPolarHBondContact O-CA 3.33Å; V340-R386 HydrophobicContact CB-CB 4.48Å; V340-R386 PolarHBondContact N-O 3.34Å; V340-R386 PolarHBondContact O-N 2.67Å
341	Y	98.9	Very high	97.8	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.9	174.5	166.5	-95.1	0	0	0	109.5	V33 L34 I35 H71 F85 T343 I384 V385 L403 I406	V33-Y341 PolarHBondContact O-N 3.27Å; L34-Y341 HydrophobicContact CD2-CD1 4.1Å; L34-Y341 HydrophobicContact CD2-CG 4.32Å; I35-Y341 WeakPolarHBondContact CA-O 3.33Å; I35-Y341 WeakPolarHBondContact CB-O 3.41Å; I35-Y341 PolarHBondContact N-O 3.47Å; H71-Y341 AromaticContact NE2-CE2 3.54Å; H71-Y341 AromaticContact NE2-CZ 3.53Å; H71-Y341 PolarHBondContact NE2-OH 2.72Å; F85-Y341 HydrophobicContact CE2-CD1 4.3Å; F85-Y341 AromaticContact CE2-CE1 3.49Å; F85-Y341 HydrophobicContact CE2-CE1 3.49Å; F85-Y341 VanDerWaalsContact CE2-CE1 3.49Å; F85-Y341 HydrophobicContact CZ-CD1 4.29Å; F85-Y341 AromaticContact CZ-CE1 3.85Å; F85-Y341 HydrophobicContact CZ-CE1 3.85Å; Y341-T343 HydrophobicContact CD1-CG2 4.43Å; Y341-T343 HydrophobicContact CE1-CG2 3.37Å; Y341-T343 VanDerWaalsContact OH-CB 3.28Å; Y341-T343 WeakPolarHBondContact OH-CB 3.44Å; Y341-T343 WeakPolarHBondContact OH-CG2 3.48Å; Y341-I384 CarbonylContact C-O 3.46Å; Y341-I384 WeakPolarHBondContact CA-O 3.4Å; Y341-V385 HydrophobicContact CD2-CG2 3.85Å; Y341-L403 WeakPolarHBondContact OH-CD2 2.97Å; Y341-I406 HydrophobicContact CD1-CD1 4.17Å; Y341-I406 HydrophobicContact CD1-CG1 4.42Å; Y341-I406 HydrophobicContact CD2-CD1 3.59Å; Y341-I406 HydrophobicContact CD2-CG1 4.47Å; Y341-I406 HydrophobicContact CE1-CD1 4.12Å; Y341-I406 HydrophobicContact CE1-CG1 4.01Å; Y341-I406 HydrophobicContact CE2-CD1 3.54Å; Y341-I406 HydrophobicContact CE2-CG1 4.07Å; Y341-I406 HydrophobicContact CG-CD1 3.88Å
342	F	98.9	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.4	178.7	172.1	-84.3	0	0	0	110.5	I35 V37 L40 L45 I58 L61 M322 P382 G383 I384	I35-F342 HydrophobicContact CB-CD2 4.33Å; I35-F342 HydrophobicContact CG2-CD2 3.88Å; I35-F342 HydrophobicContact CG2-CE2 4.44Å; I35-F342 CarbonylContact O-C 3.55Å; I35-F342 WeakPolarHBondContact O-CA 3.09Å; V37-F342 HydrophobicContact CG2-CD2 4.42Å; V37-F342 HydrophobicContact CG2-CE2 3.44Å; V37-F342 VanDerWaalsContact CG2-CE2 3.44Å; V37-F342 HydrophobicContact CG2-CZ 3.61Å; L40-F342 HydrophobicContact CD2-CE1 4.26Å; L40-F342 HydrophobicContact CD2-CZ 3.79Å; L45-F342 HydrophobicContact CD1-CE1 3.76Å; L45-F342 HydrophobicContact CD1-CZ 4.31Å; I58-F342 HydrophobicContact CD1-CE1 4.36Å; I58-F342 HydrophobicContact CD1-CE2 3.61Å; I58-F342 HydrophobicContact CD1-CZ 3.52Å; I58-F342 HydrophobicContact CG1-CD2 4.47Å; I58-F342 HydrophobicContact CG1-CE2 4.01Å; I58-F342 HydrophobicContact CG1-CZ 4.14Å; I58-F342 HydrophobicContact CG2-CD1 4.35Å; I58-F342 HydrophobicContact CG2-CE1 4.08Å; I58-F342 HydrophobicContact CG2-CZ 4.3Å; L61-F342 HydrophobicContact CD2-CB 3.65Å; L61-F342 HydrophobicContact CD2-CG 4.38Å; M322-F342 HydrophobicContact CE-CB 4.43Å; M322-F342 HydrophobicContact CE-CD2 4Å; M322-F342 HydrophobicContact SD-CD2 4.37Å; F342-P382 HydrophobicContact CD1-CB 4.47Å; F342-P382 HydrophobicContact CE1-CB 4Å; F342-G383 WeakPolarHBondContact O-CA 3.3Å; F342-I384 HydrophobicContact CB-CB 4.31Å; F342-I384 HydrophobicContact CD1-CD1 3.94Å; F342-I384 HydrophobicContact CD1-CG1 4.43Å; F342-I384 PolarHBondContact N-O 2.92Å; F342-I384 PolarHBondContact O-N 3.41Å
343	T	98.9	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	174.6	177.6	-166.8	0	0	0	0	112.8	I35 M36 V37 Y341 P382 L403	I35-T343 PolarHBondContact O-N 3.07Å; M36-T343 CarbonylContact C-O 3.53Å; M36-T343 WeakPolarHBondContact CA-O 3.22Å; M36-T343 HydrophobicContact CB-CG2 4.25Å; M36-T343 HydrophobicContact CE-CG2 3.96Å; M36-T343 HydrophobicContact CG-CG2 4.25Å; V37-T343 PolarHBondContact N-O 3.1Å; Y341-T343 HydrophobicContact CD1-CG2 4.43Å; Y341-T343 HydrophobicContact CE1-CG2 3.37Å; Y341-T343 VanDerWaalsContact OH-CB 3.28Å; Y341-T343 WeakPolarHBondContact OH-CB 3.44Å; Y341-T343 WeakPolarHBondContact OH-CG2 3.48Å; T343-P382 VanDerWaalsContact CA-O 3.29Å; T343-P382 WeakPolarHBondContact CA-O 2.98Å; T343-P382 WeakPolarHBondContact CB-O 3.41Å; T343-P382 PolarHBondContact OG1-O 3.23Å; T343-L403 HydrophobicContact CG2-CD2 3.9Å; T343-L403 VanDerWaalsContact OG1-CD2 3.25Å; T343-L403 WeakPolarHBondContact OG1-CD2 3.23Å
344	S	98.8	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	156.3	157.4	-169.2	0	0	0	0	111.1	V37 L40 H346	V37-S344 WeakPolarHBondContact O-CA 3.38Å; V37-S344 PolarHBondContact O-OG 3.47Å; L40-S344 PolarHBondContact N-OG 2.96Å; L40-S344 WeakPolarHBondContact O-CB 3.46Å; L40-S344 PolarHBondContact O-OG 2.04Å; S344-H346 PolarHBondContact OG-O 3.47Å
345	D	98.4	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-72.2	-33.3	173.5	67.2	-14.5	0	0	0	112.4	M36 V37 D38 D39 S73 C78 S81 R82	M36-D345 HydrophobicContact CE-CB 4.39Å; M36-D345 HydrophobicContact CG-CB 4.04Å; M36-D345 HydrophobicContact SD-CB 3.67Å; V37-D345 PolarHBondContact O-N 3.28Å; D38-D345 VanDerWaalsContact OD1-OD2 3.04Å; D39-D345 PolarHBondContact N-OD1 3.39Å; S73-D345 VanDerWaalsContact CB-O 3.29Å; S73-D345 WeakPolarHBondContact CB-O 3.32Å; S73-D345 PolarHBondContact OG-O 2.83Å; C78-D345 WeakPolarHBondContact CA-OD2 3.46Å; C78-D345 WeakPolarHBondContact CB-OD2 3.42Å; S81-D345 WeakPolarHBondContact CB-O 3.33Å; S81-D345 PolarHBondContact OG-O 2.99Å; R82-D345 HydrophobicContact CG-CB 4.24Å; R82-D345 IonicContact CZ-OD2 3.69Å; R82-D345 IonicContact NE-OD2 3.41Å; R82-D345 PolarHBondContact NE-OD2 3.29Å; R82-D345 IonicContact NH2-OD2 2.76Å; R82-D345 PolarHBondContact NH2-OD2 2.79Å
346	H	98.6	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-160	-177.8	168.9	54.2	71.8	0	0	0	110.7	D39 L77 C78 S344 K370	D39-H346 IonicContact OD1-CE1 2.68Å; D39-H346 PolarHBondContact OD1-CE1 2.96Å; D39-H346 IonicContact OD1-ND1 2.73Å; D39-H346 IonicContact OD1-NE2 2.59Å; D39-H346 PolarHBondContact OD1-NE2 3.37Å; L77-H346 WeakPolarHBondContact CA-CD2 3.47Å; C78-H346 PolarHBondContact N-CD2 3.29Å; C78-H346 VanDerWaalsContact N-CD2 3.3Å; C78-H346 PolarHBondContact N-NE2 3.06Å; C78-H346 PolarHBondContact SG-NE2 2.65Å; S344-H346 PolarHBondContact OG-O 3.47Å; H346-K370 VanDerWaalsContact CE1-CD 3.46Å; H346-K370 WeakPolarHBondContact CE1-CD 3.49Å; H346-K370 VanDerWaalsContact CE1-CG 3.42Å; H346-K370 WeakPolarHBondContact CE1-CG 3.32Å
347	G	97.6	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.			trans	-70.6	168.9	179.8	0	0	0	0	0	114.3	G377 G378	G347-G377 WeakPolarHBondContact CA-O 3.25Å; G347-G378 PolarHBondContact N-O 3.23Å
348	G	97.5	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.			trans	-63.5	148.7	-175.3	0	0	0	0	0	114.1	D39 L350 N363 G369 K370	D39-G348 WeakPolarHBondContact O-CA 3.37Å; G348-L350 PolarHBondContact O-N 2.87Å; G348-N363 PolarHBondContact N-OD1 3.05Å; G348-N363 PolarHBondContact O-ND2 2.81Å; G348-G369 WeakPolarHBondContact O-CA 3.28Å; G348-K370 PolarHBondContact O-N 2.73Å
349	H	97.1	Very high	94.6	Very high	19 Å²	19	37 Å²	37	9%	0.088	19%	0.19	C	C	.	.			trans	-86.8	89.4	-178.4	-166.1	174.9	0	0	0	111.7	E351 A352 G360 K370 S489	H349-E351 VanDerWaalsContact C-N 3.3Å; H349-E351 IonicContact CD2-OE2 3.1Å; H349-E351 PolarHBondContact CD2-OE2 2.74Å; H349-E351 IonicContact NE2-OE2 2.73Å; H349-E351 PolarHBondContact O-N 3Å; H349-A352 HydrophobicContact CB-CB 4.06Å; H349-A352 WeakPolarHBondContact O-CB 3.23Å; H349-A352 PolarHBondContact O-N 3.08Å; H349-G360 WeakPolarHBondContact O-CA 2.97Å; H349-K370 HydrophobicContact CB-CB 4Å; H349-K370 HydrophobicContact CB-CD 3.78Å; H349-S489 PolarHBondContact NE2-O 3.34Å; H349-S489 VanDerWaalsContact NE2-O 3.07Å
350	L	96.2	Very high	94.4	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.141	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-41	-177.6	-59.4	-176.8	0	0	0	113	G348 A352 Q358 G368 Y486	G348-L350 PolarHBondContact O-N 2.87Å; L350-A352 VanDerWaalsContact C-N 3.26Å; L350-A352 PolarHBondContact O-N 3.01Å; L350-Q358 PolarHBondContact O-NE2 3.03Å; L350-G368 WeakPolarHBondContact CD1-O 3.34Å; L350-Y486 WeakPolarHBondContact O-CE1 3.2Å
351	E	95.4	Very high	94.2	Very high	13 Å²	13	36.6 Å²	36.6	6%	0.061	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.8	-175.6	-59.4	90.1	158.8	0	0	114.3	H349 R353 M372 C485 Y486 S489	H349-E351 VanDerWaalsContact C-N 3.3Å; H349-E351 IonicContact CD2-OE2 3.1Å; H349-E351 PolarHBondContact CD2-OE2 2.74Å; H349-E351 IonicContact NE2-OE2 2.73Å; H349-E351 PolarHBondContact O-N 3Å; E351-R353 PolarHBondContact O-N 2.99Å; E351-M372 WeakPolarHBondContact OE1-CE 3.36Å; E351-C485 PolarHBondContact OE1-N 2.8Å; E351-Y486 HydrophobicContact CB-CD1 4.3Å; E351-Y486 HydrophobicContact CG-CD1 4.27Å; E351-Y486 HydrophobicContact CG-CG 4.36Å; E351-S489 WeakPolarHBondContact CB-O 2.97Å
352	A	93.8	Very high	94	Very high	9 Å²	9	42.6 Å²	42.6	7%	0.074	21%	0.212	C	C	.	.			trans	-73.4	97.7	179.4	0	0	0	0	0	110.8	I294 H349 L350 L359 G360	I294-A352 HydrophobicContact CG2-CB 4.1Å; H349-A352 HydrophobicContact CB-CB 4.06Å; H349-A352 WeakPolarHBondContact O-CB 3.23Å; H349-A352 PolarHBondContact O-N 3.08Å; L350-A352 VanDerWaalsContact C-N 3.26Å; L350-A352 PolarHBondContact O-N 3.01Å; A352-L359 HydrophobicContact CB-CB 4.31Å; A352-L359 WeakPolarHBondContact O-CA 3.45Å; A352-L359 PolarHBondContact O-N 2.63Å; A352-G360 PolarHBondContact O-N 3.47Å
353	R	90.4	Very high	93.9	Very high	124 Å²	124	42.7 Å²	42.7	47%	0.468	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.6	-178.7	-62.8	-176.5	67.3	179.2	5.3	111.5	E351 A357	E351-R353 PolarHBondContact O-N 2.99Å; R353-A357 VanDerWaalsContact CA-O 3.29Å; R353-A357 WeakPolarHBondContact CA-O 3.37Å
354	R	85.1	Confident	93.8	Very high	158 Å²	158	43.7 Å²	43.7	60%	0.596	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	104.6	168.5	-177.4	-179.9	-79.5	178.5	-3.1	109.1	H356 A357 L359	R354-H356 PolarHBondContact O-N 3.15Å; R354-A357 PolarHBondContact N-O 3.16Å; R354-A357 WeakPolarHBondContact O-CB 3.38Å; R354-A357 PolarHBondContact O-N 3.22Å; R354-L359 HydrophobicContact CB-CD1 3.67Å; R354-L359 HydrophobicContact CB-CG 4.46Å
355	G	85.4	Confident	93.7	Very high	67 Å²	67	48.9 Å²	48.9	69%	0.691	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-120.5	-170.7	0	0	0	0	0	110.6
356	H	83.6	Confident	93.6	Very high	185 Å²	185	50.9 Å²	50.9	86%	0.856	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.9	176.8	-62.5	-62.9	0	0	0	114.1	R354	R354-H356 PolarHBondContact O-N 3.15Å
357	A	87.1	Confident	93.6	Very high	50 Å²	50	53.8 Å²	53.8	41%	0.413	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.3	-178.6	0	0	0	0	0	111.5	R353 R354	R353-A357 VanDerWaalsContact CA-O 3.29Å; R353-A357 WeakPolarHBondContact CA-O 3.37Å; R354-A357 PolarHBondContact N-O 3.16Å; R354-A357 WeakPolarHBondContact O-CB 3.38Å; R354-A357 PolarHBondContact O-N 3.22Å
358	Q	92.5	Very high	93.6	Very high	73 Å²	73	53.9 Å²	53.9	34%	0.341	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130	169.5	-176.4	62.2	24.7	0	0	109.1	L350 G360	L350-Q358 PolarHBondContact O-NE2 3.03Å; Q358-G360 WeakPolarHBondContact CG-O 2.95Å; Q358-G360 PolarHBondContact NE2-O 3.37Å
359	L	94.3	Very high	93.6	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.178	27%	0.271	C	S	.	.			trans	-121.1	-2.4	-177.4	-60.1	178.3	0	0	0	113.4	I294 L296 Y311 A352 R354	I294-L359 HydrophobicContact CG2-CB 4.05Å; I294-L359 WeakPolarHBondContact CG2-O 3.41Å; L296-L359 HydrophobicContact CD1-CB 4.14Å; L296-L359 HydrophobicContact CD1-CD2 3.99Å; L296-L359 WeakPolarHBondContact CD1-O 3.43Å; Y311-L359 WeakPolarHBondContact CD2-O 2.95Å; A352-L359 HydrophobicContact CB-CB 4.31Å; A352-L359 WeakPolarHBondContact O-CA 3.45Å; A352-L359 PolarHBondContact O-N 2.63Å; R354-L359 HydrophobicContact CB-CD1 3.67Å; R354-L359 HydrophobicContact CB-CG 4.46Å
360	G	94.3	Very high	93.7	Very high	4 Å²	4	53.6 Å²	53.6	4%	0.041	27%	0.27	C	S	.	.	S	Bend	trans	-125.9	165.3	175.4	0	0	0	0	0	112.6	H349 A352 Q358	H349-G360 WeakPolarHBondContact O-CA 2.97Å; A352-G360 PolarHBondContact O-N 3.47Å; Q358-G360 WeakPolarHBondContact CG-O 2.95Å; Q358-G360 PolarHBondContact NE2-O 3.37Å
361	G	94.4	Very high	93.7	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	26%	0.263	C	S	.	.			trans	-71.6	169.9	-169.9	0	0	0	0	0	116.8	D44 Y311	D44-G361 WeakPolarHBondContact OD2-CA 3.45Å; Y311-G361 VanDerWaalsContact CE2-N 3.31Å; Y311-G361 WeakPolarHBondContact OH-CA 3.4Å
362	W	95.1	Very high	93.8	Very high	130 Å²	130	51.8 Å²	51.8	49%	0.492	26%	0.26	S	S	.	.			trans	-112.1	134.2	-177.9	-178.6	57.6	0	0	0	111.9	G41 G43 D44 G364	G41-W362 CarbonylContact C-O 3.44Å; G41-W362 WeakPolarHBondContact CA-O 3.5Å; G43-W362 CarbonylContact C-O 3.54Å; G43-W362 VanDerWaalsContact CA-O 3.27Å; G43-W362 WeakPolarHBondContact CA-O 3.42Å; G43-W362 PolarHBondContact N-O 3.08Å; G43-W362 WeakPolarHBondContact O-CZ3 3.36Å; D44-W362 WeakPolarHBondContact OD1-CB 3.47Å; D44-W362 PolarHBondContact OD1-N 3.49Å; D44-W362 PolarHBondContact OD2-N 3.21Å; D44-W362 VanDerWaalsContact OD2-N 3.09Å; W362-G364 VanDerWaalsContact CE2-CA 3.47Å; W362-G364 VanDerWaalsContact CZ2-CA 3.41Å
363	N	97.5	Very high	93.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.011	26%	0.257	C	S	.	.			trans	-100.8	19.7	-175.2	-59.4	-46.4	0	0	0	113	G41 G348 I365 Y366 G368 G369 G377	G41-N363 VanDerWaalsContact CA-OD1 3.25Å; G41-N363 WeakPolarHBondContact CA-OD1 3.42Å; G348-N363 PolarHBondContact N-OD1 3.05Å; G348-N363 PolarHBondContact O-ND2 2.81Å; N363-I365 PolarHBondContact O-N 2.82Å; N363-Y366 WeakPolarHBondContact O-CB 3.36Å; N363-Y366 WeakPolarHBondContact O-CD2 3.36Å; N363-Y366 PolarHBondContact O-N 2.98Å; N363-Y366 VanDerWaalsContact O-N 3.12Å; N363-G368 PolarHBondContact ND2-O 2.83Å; N363-G369 WeakPolarHBondContact ND2-CA 3.33Å; N363-G377 PolarHBondContact ND2-O 3.38Å; N363-G377 VanDerWaalsContact ND2-O 3.11Å; N363-G377 PolarHBondContact OD1-O 3Å
364	G	96	Very high	94.2	Very high	21 Å²	21	45.4 Å²	45.4	22%	0.216	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-133.6	177.2	0	0	0	0	0	112.6	W362 Y366	W362-G364 VanDerWaalsContact CE2-CA 3.47Å; W362-G364 VanDerWaalsContact CZ2-CA 3.41Å; G364-Y366 PolarHBondContact O-N 2.99Å
365	I	96.6	Very high	94.8	Very high	108 Å²	108	38.4 Å²	38.4	55%	0.554	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.2	176.1	66.2	176.1	0	0	0	113.5	N363 P513 S514	N363-I365 PolarHBondContact O-N 2.82Å; I365-P513 HydrophobicContact CD1-CB 4.04Å; I365-P513 HydrophobicContact CD1-CG 3.66Å; I365-S514 WeakPolarHBondContact O-CA 3.42Å; I365-S514 WeakPolarHBondContact O-CB 3.46Å
366	Y	98.1	Very high	95.5	Very high	42 Å²	42	35.2 Å²	35.2	17%	0.165	18%	0.175	C	C	.	.			trans	-83.5	134.1	-171.3	-54.6	-66	0	0	0	111	I42 N363 G364 E376 R380 P513	I42-Y366 HydrophobicContact CD1-CE2 4.14Å; I42-Y366 HydrophobicContact CG1-CE2 4.46Å; I42-Y366 HydrophobicContact CG2-CD2 3.33Å; I42-Y366 HydrophobicContact CG2-CE2 3.55Å; N363-Y366 WeakPolarHBondContact O-CB 3.36Å; N363-Y366 WeakPolarHBondContact O-CD2 3.36Å; N363-Y366 PolarHBondContact O-N 2.98Å; N363-Y366 VanDerWaalsContact O-N 3.12Å; G364-Y366 PolarHBondContact O-N 2.99Å; Y366-E376 HydrophobicContact CD1-CB 3.85Å; Y366-E376 HydrophobicContact CD1-CG 4.29Å; Y366-E376 HydrophobicContact CG-CB 4.12Å; Y366-R380 VanDerWaalsContact CE1-CD 3.5Å; Y366-R380 PolarHBondContact OH-NH1 3.16Å; Y366-R380 VanDerWaalsContact OH-NH1 3.07Å; Y366-P513 HydrophobicContact CD1-CB 4.49Å; Y366-P513 WeakPolarHBondContact CD1-O 3.36Å; Y366-P513 HydrophobicContact CE1-CB 4Å
367	K	97.7	Very high	96.2	Very high	61 Å²	61	26.4 Å²	26.4	27%	0.265	13%	0.134	S	C	.	.			trans	-73	142	-178.8	-178	168	179.6	173.4	0	111.6	W375 G377 F477 S514 E515	K367-W375 HydrophobicContact CB-CE3 4.35Å; K367-W375 HydrophobicContact CD-CD2 4.06Å; K367-W375 HydrophobicContact CD-CE3 3.72Å; K367-W375 HydrophobicContact CD-CH2 4.03Å; K367-W375 HydrophobicContact CD-CZ2 4.29Å; K367-W375 HydrophobicContact CD-CZ3 3.73Å; K367-W375 HydrophobicContact CG-CD2 4.04Å; K367-W375 HydrophobicContact CG-CE3 4.03Å; K367-W375 HydrophobicContact CG-CG 4.37Å; K367-W375 WeakPolarHBondContact O-CB 3.38Å; K367-G377 VanDerWaalsContact O-CA 3.29Å; K367-G377 WeakPolarHBondContact O-CA 3.34Å; K367-G377 PolarHBondContact O-N 3.45Å; K367-F477 HydrophobicContact CG-CE2 4.4Å; K367-F477 HydrophobicContact CG-CZ 4.48Å; K367-S514 VanDerWaalsContact CB-O 3.31Å; K367-S514 WeakPolarHBondContact CB-O 3.47Å; K367-E515 HydrophobicContact CD-CB 4.4Å; K367-E515 WeakPolarHBondContact CD-O 3.46Å; K367-E515 PolarHBondContact NZ-O 3.3Å
368	G	97.4	Very high	96.7	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.115	C	C	.	.			trans	79.2	-173.4	176.6	0	0	0	0	0	114.9	L350 N363 M372 G377 G483	L350-G368 WeakPolarHBondContact CD1-O 3.34Å; N363-G368 PolarHBondContact ND2-O 2.83Å; G368-M372 WeakPolarHBondContact CA-SD 3.34Å; G368-G377 CarbonylContact O-C 3.54Å; G368-G377 WeakPolarHBondContact O-CA 3.34Å; G368-G483 WeakPolarHBondContact CA-O 3.47Å
369	G	97.9	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.			trans	-164.5	-161.1	-174.6	0	0	0	0	0	113	G348 N363 G371 M372 G377 G378	G348-G369 WeakPolarHBondContact O-CA 3.28Å; N363-G369 WeakPolarHBondContact ND2-CA 3.33Å; G369-G371 PolarHBondContact O-N 3Å; G369-M372 PolarHBondContact N-SD 3.38Å; G369-M372 VanDerWaalsContact N-SD 3.36Å; G369-M372 VanDerWaalsContact O-CB 3.28Å; G369-M372 WeakPolarHBondContact O-CB 3.49Å; G369-M372 WeakPolarHBondContact O-CG 3.08Å; G369-M372 PolarHBondContact O-N 2.83Å; G369-G377 WeakPolarHBondContact CA-O 3.03Å; G369-G378 VanDerWaalsContact C-CA 3.45Å; G369-G378 WeakPolarHBondContact O-CA 3.37Å
370	K	98.1	Very high	97.2	Very high	13 Å²	13	19.2 Å²	19.2	6%	0.057	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.4	133.9	175.2	-177.7	175.8	-172.3	158.4	0	112.1	D39 L77 H293 H346 G348 H349 M372 L490	D39-K370 IonicContact OD1-NZ 2.95Å; D39-K370 PolarHBondContact OD1-NZ 3.02Å; D39-K370 WeakPolarHBondContact OD2-CD 3.05Å; D39-K370 IonicContact OD2-NZ 3.07Å; D39-K370 PolarHBondContact OD2-NZ 3.32Å; L77-K370 HydrophobicContact CD2-CG 3.92Å; H293-K370 PolarHBondContact CD2-NZ 3.43Å; H293-K370 VanDerWaalsContact CD2-NZ 3.29Å; H293-K370 PolarHBondContact NE2-NZ 3.03Å; H346-K370 VanDerWaalsContact CE1-CD 3.46Å; H346-K370 WeakPolarHBondContact CE1-CD 3.49Å; H346-K370 VanDerWaalsContact CE1-CG 3.42Å; H346-K370 WeakPolarHBondContact CE1-CG 3.32Å; G348-K370 PolarHBondContact O-N 2.73Å; H349-K370 HydrophobicContact CB-CB 4Å; H349-K370 HydrophobicContact CB-CD 3.78Å; K370-M372 VanDerWaalsContact C-N 3.3Å; K370-M372 PolarHBondContact O-N 2.71Å; K370-L490 HydrophobicContact CG-CD1 4.24Å
371	G	96.8	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-4.8	-180	0	0	0	0	0	115.8	S76 R103 G369	S76-G371 PolarHBondContact O-N 3.28Å; S76-G371 WeakPolarHBondContact OG-CA 3.47Å; R103-G371 PolarHBondContact NH1-O 3.4Å; G369-G371 PolarHBondContact O-N 3Å
372	M	97.4	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.088	C	C	.	.			trans	-106	81.7	-179.1	-52.9	177.8	-148.4	0	0	111.1	S76 E351 G368 G369 K370 G374 W375 P475 F477 G484 C491	S76-M372 PolarHBondContact OG-N 2.8Å; S76-M372 VanDerWaalsContact OG-N 3.16Å; E351-M372 WeakPolarHBondContact OE1-CE 3.36Å; G368-M372 WeakPolarHBondContact CA-SD 3.34Å; G369-M372 PolarHBondContact N-SD 3.38Å; G369-M372 VanDerWaalsContact N-SD 3.36Å; G369-M372 VanDerWaalsContact O-CB 3.28Å; G369-M372 WeakPolarHBondContact O-CB 3.49Å; G369-M372 WeakPolarHBondContact O-CG 3.08Å; G369-M372 PolarHBondContact O-N 2.83Å; K370-M372 VanDerWaalsContact C-N 3.3Å; K370-M372 PolarHBondContact O-N 2.71Å; M372-G374 PolarHBondContact O-N 3Å; M372-W375 PolarHBondContact O-N 3.44Å; M372-P475 HydrophobicContact CG-CG 4.42Å; M372-F477 HydrophobicContact CE-CE1 4.41Å; M372-F477 HydrophobicContact SD-CE1 3.64Å; M372-F477 HydrophobicContact SD-CZ 4.19Å; M372-G484 VanDerWaalsContact CE-CA 3.47Å; M372-C491 HydrophobicContact CG-CB 3.97Å
373	G	95.8	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.9	-174	0	0	0	0	0	114.3	S76 I379 H447	S76-G373 WeakPolarHBondContact OG-CA 3.38Å; S76-G373 PolarHBondContact OG-N 2.76Å; G373-I379 VanDerWaalsContact O-CG2 3.32Å; G373-I379 WeakPolarHBondContact O-CG2 3.34Å; G373-H447 WeakPolarHBondContact O-CB 3.35Å
374	G	97.1	Very high	97.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.9	178.9	0	0	0	0	0	114.6	M372 K469 H471	M372-G374 PolarHBondContact O-N 3Å; G374-K469 WeakPolarHBondContact O-CE 3.34Å; G374-K469 PolarHBondContact O-NZ 3.3Å; G374-H471 VanDerWaalsContact C-CE1 3.46Å; G374-H471 PolarHBondContact O-CE1 3.34Å
375	W	98.4	Very high	97.9	Very high	10 Å²	10	12 Å²	12	4%	0.038	6%	0.056	C	C	.	.	S	Bend	trans	-96	147.2	-169.3	-65.4	120.3	0	0	0	113.1	K367 M372 G377 G378 H471 T474 F477 F507 E515	K367-W375 HydrophobicContact CB-CE3 4.35Å; K367-W375 HydrophobicContact CD-CD2 4.06Å; K367-W375 HydrophobicContact CD-CE3 3.72Å; K367-W375 HydrophobicContact CD-CH2 4.03Å; K367-W375 HydrophobicContact CD-CZ2 4.29Å; K367-W375 HydrophobicContact CD-CZ3 3.73Å; K367-W375 HydrophobicContact CG-CD2 4.04Å; K367-W375 HydrophobicContact CG-CE3 4.03Å; K367-W375 HydrophobicContact CG-CG 4.37Å; K367-W375 WeakPolarHBondContact O-CB 3.38Å; M372-W375 PolarHBondContact O-N 3.44Å; W375-G377 VanDerWaalsContact C-N 3.31Å; W375-G377 PolarHBondContact O-N 3.18Å; W375-G378 PolarHBondContact O-N 3.16Å; W375-H471 AromaticContact CD2-CE1 3.77Å; W375-H471 AromaticContact CE3-CE1 3.38Å; W375-H471 AromaticContact CE3-NE2 3.82Å; W375-H471 AromaticContact CZ3-CE1 3.58Å; W375-H471 AromaticContact CZ3-NE2 3.73Å; W375-T474 HydrophobicContact CH2-CG2 4.09Å; W375-T474 HydrophobicContact CZ2-CG2 3.58Å; W375-F477 AromaticContact CD1-CZ 3.72Å; W375-F477 AromaticContact NE1-CE1 3.99Å; W375-F477 AromaticContact NE1-CZ 3.4Å; W375-F507 HydrophobicContact CH2-CE2 4.39Å; W375-F507 HydrophobicContact CH2-CZ 4.17Å; W375-F507 HydrophobicContact CZ3-CE2 4.19Å; W375-F507 HydrophobicContact CZ3-CZ 4.12Å; W375-E515 HydrophobicContact CE3-CB 3.9Å; W375-E515 HydrophobicContact CE3-CG 4.38Å; W375-E515 HydrophobicContact CZ3-CB 3.6Å; W375-E515 HydrophobicContact CZ3-CG 4.41Å
376	E	98.7	Very high	98.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54.5	-43.7	-176.2	-77.8	-50.9	91.1	0	0	112.5	Y366 G378 I379 R380 R457 K469 L509 E515	Y366-E376 HydrophobicContact CD1-CB 3.85Å; Y366-E376 HydrophobicContact CD1-CG 4.29Å; Y366-E376 HydrophobicContact CG-CB 4.12Å; E376-G378 PolarHBondContact O-N 2.8Å; E376-G378 VanDerWaalsContact O-N 3.13Å; E376-I379 PolarHBondContact O-N 2.85Å; E376-I379 VanDerWaalsContact O-N 3.12Å; E376-R380 WeakPolarHBondContact O-CA 3.41Å; E376-R380 WeakPolarHBondContact O-CB 3.37Å; E376-R380 PolarHBondContact O-N 3.2Å; E376-R380 IonicContact OE2-CZ 3.58Å; E376-R380 IonicContact OE2-NE 3.83Å; E376-R380 PolarHBondContact OE2-NE 3.44Å; E376-R380 IonicContact OE2-NH2 2.74Å; E376-R380 PolarHBondContact OE2-NH2 3.1Å; E376-R457 IonicContact OE1-CZ 3.88Å; E376-R457 IonicContact OE1-NH2 3.84Å; E376-R457 PolarHBondContact OE1-NH2 3.47Å; E376-R457 IonicContact OE2-CZ 3.94Å; E376-R457 IonicContact OE2-NH2 2.77Å; E376-R457 PolarHBondContact OE2-NH2 2.94Å; E376-K469 IonicContact OE1-NZ 3.85Å; E376-K469 PolarHBondContact OE1-NZ 2.97Å; E376-L509 HydrophobicContact CG-CD1 4.23Å; E376-L509 HydrophobicContact CG-CD2 4.12Å; E376-E515 WeakPolarHBondContact CB-OE2 3.29Å; E376-E515 HydrophobicContact CG-CG 4.27Å; E376-E515 VanDerWaalsContact CG-OE2 3.28Å; E376-E515 WeakPolarHBondContact CG-OE2 3.37Å; E376-E515 PolarHBondContact N-OE2 2.92Å
377	G	98.3	Very high	98.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.3	-15.8	-178.7	0	0	0	0	0	113.8	G347 N363 K367 G368 G369 W375	G347-G377 WeakPolarHBondContact CA-O 3.25Å; N363-G377 PolarHBondContact ND2-O 3.38Å; N363-G377 VanDerWaalsContact ND2-O 3.11Å; N363-G377 PolarHBondContact OD1-O 3Å; K367-G377 VanDerWaalsContact O-CA 3.29Å; K367-G377 WeakPolarHBondContact O-CA 3.34Å; K367-G377 PolarHBondContact O-N 3.45Å; G368-G377 CarbonylContact O-C 3.54Å; G368-G377 WeakPolarHBondContact O-CA 3.34Å; G369-G377 WeakPolarHBondContact CA-O 3.03Å; W375-G377 VanDerWaalsContact C-N 3.31Å; W375-G377 PolarHBondContact O-N 3.18Å
378	G	97.9	Very high	98	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-88.1	-22.2	173.8	0	0	0	0	0	114.8	S76 G347 G369 W375 E376	S76-G378 WeakPolarHBondContact CA-O 3.06Å; S76-G378 VanDerWaalsContact CB-O 3.23Å; S76-G378 WeakPolarHBondContact CB-O 3.35Å; G347-G378 PolarHBondContact N-O 3.23Å; G369-G378 VanDerWaalsContact C-CA 3.45Å; G369-G378 WeakPolarHBondContact O-CA 3.37Å; W375-G378 PolarHBondContact O-N 3.16Å; E376-G378 PolarHBondContact O-N 2.8Å; E376-G378 VanDerWaalsContact O-N 3.13Å
379	I	98.6	Very high	97.9	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-122.8	-26.4	-171.8	63.3	176.7	0	0	0	113.6	I72 S73 G373 E376 V381 H447	I72-I379 CarbonylContact C-O 3.54Å; I72-I379 WeakPolarHBondContact CA-O 3.48Å; I72-I379 HydrophobicContact CG2-CB 4.09Å; I72-I379 HydrophobicContact CG2-CD1 3.93Å; I72-I379 HydrophobicContact CG2-CG1 4.11Å; S73-I379 WeakPolarHBondContact CB-O 3.35Å; S73-I379 PolarHBondContact N-O 3.04Å; G373-I379 VanDerWaalsContact O-CG2 3.32Å; G373-I379 WeakPolarHBondContact O-CG2 3.34Å; E376-I379 PolarHBondContact O-N 2.85Å; E376-I379 VanDerWaalsContact O-N 3.12Å; I379-V381 PolarHBondContact O-N 3.1Å; I379-H447 WeakPolarHBondContact CD1-ND1 3.26Å
380	R	98.6	Very high	97.7	Very high	5 Å²	5	13.9 Å²	13.9	2%	0.019	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.3	179.3	-169.2	-177.5	-76.7	-136.9	1	108.7	I42 T69 Q70 H71 I72 Y366 E376	I42-R380 HydrophobicContact CD1-CG 3.69Å; T69-R380 PolarHBondContact O-NH1 2.96Å; Q70-R380 VanDerWaalsContact CD-NH2 3.25Å; H71-R380 WeakPolarHBondContact O-CA 3.49Å; I72-R380 HydrophobicContact CD1-CB 4.11Å; I72-R380 HydrophobicContact CD1-CG 4.15Å; Y366-R380 VanDerWaalsContact CE1-CD 3.5Å; Y366-R380 PolarHBondContact OH-NH1 3.16Å; Y366-R380 VanDerWaalsContact OH-NH1 3.07Å; E376-R380 WeakPolarHBondContact O-CA 3.41Å; E376-R380 WeakPolarHBondContact O-CB 3.37Å; E376-R380 PolarHBondContact O-N 3.2Å; E376-R380 IonicContact OE2-CZ 3.58Å; E376-R380 IonicContact OE2-NE 3.83Å; E376-R380 PolarHBondContact OE2-NE 3.44Å; E376-R380 IonicContact OE2-NH2 2.74Å; E376-R380 PolarHBondContact OE2-NH2 3.1Å
381	V	98.8	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.2	-173.6	-67.7	0	0	0	0	110.5	H71 I379 L403	H71-V381 HydrophobicContact CB-CG2 4.42Å; H71-V381 WeakPolarHBondContact O-CG2 3.4Å; H71-V381 PolarHBondContact O-N 3.07Å; I379-V381 PolarHBondContact O-N 3.1Å; V381-L403 HydrophobicContact CG2-CD2 4.17Å
382	P	98.6	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	144.3	165.3	-24.6	35	0	0	0	111.1	L40 I42 L45 Y48 F342 T343	L40-P382 HydrophobicContact CD2-CG 4.31Å; I42-P382 HydrophobicContact CB-CG 4.41Å; I42-P382 HydrophobicContact CG1-CG 4.44Å; L45-P382 HydrophobicContact CD1-CB 3.62Å; L45-P382 HydrophobicContact CD1-CG 3.59Å; L45-P382 HydrophobicContact CG-CG 4.43Å; Y48-P382 HydrophobicContact CD2-CB 4.37Å; Y48-P382 HydrophobicContact CE2-CB 3.82Å; F342-P382 HydrophobicContact CD1-CB 4.47Å; F342-P382 HydrophobicContact CE1-CB 4Å; T343-P382 VanDerWaalsContact CA-O 3.29Å; T343-P382 WeakPolarHBondContact CA-O 2.98Å; T343-P382 WeakPolarHBondContact CB-O 3.41Å; T343-P382 PolarHBondContact OG1-O 3.23Å
383	G	98.7	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	112.9	174.6	0	0	0	0	0	109.6	Y48 L68 F342	Y48-G383 PolarHBondContact OH-N 2.85Å; Y48-G383 PolarHBondContact OH-O 3.04Å; Y48-G383 VanDerWaalsContact OH-O 3.07Å; L68-G383 WeakPolarHBondContact CB-O 3.34Å; L68-G383 WeakPolarHBondContact CG-O 3.29Å; L68-G383 PolarHBondContact N-O 3.36Å; F342-G383 WeakPolarHBondContact O-CA 3.3Å
384	I	98.9	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.1	-178.1	-56.6	163.7	0	0	0	109	Y48 I58 L61 A62 V66 Y341 F342	Y48-I384 HydrophobicContact CE2-CD1 4.33Å; Y48-I384 HydrophobicContact CE2-CG1 4.31Å; I58-I384 HydrophobicContact CG2-CD1 3.59Å; L61-I384 HydrophobicContact CB-CG2 4.41Å; L61-I384 HydrophobicContact CD2-CB 4.22Å; L61-I384 HydrophobicContact CD2-CG2 3.85Å; L61-I384 HydrophobicContact CG-CG2 3.72Å; A62-I384 HydrophobicContact CB-CD1 4.02Å; A62-I384 HydrophobicContact CB-CG1 4.39Å; A62-I384 HydrophobicContact CB-CG2 4.32Å; V66-I384 CarbonylContact O-C 3.54Å; V66-I384 WeakPolarHBondContact O-CA 3.34Å; Y341-I384 CarbonylContact C-O 3.46Å; Y341-I384 WeakPolarHBondContact CA-O 3.4Å; F342-I384 HydrophobicContact CB-CB 4.31Å; F342-I384 HydrophobicContact CD1-CD1 3.94Å; F342-I384 HydrophobicContact CD1-CG1 4.43Å; F342-I384 PolarHBondContact N-O 2.92Å; F342-I384 PolarHBondContact O-N 3.41Å
385	V	98.8	Very high	97.7	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.9	176.5	-178.8	0	0	0	0	110.5	G65 V66 I339 V340 Y341 L433	G65-V385 CarbonylContact C-O 3.59Å; G65-V385 VanDerWaalsContact CA-O 3.26Å; G65-V385 WeakPolarHBondContact CA-O 3.17Å; V66-V385 PolarHBondContact N-O 2.86Å; V66-V385 PolarHBondContact O-N 3.41Å; I339-V385 HydrophobicContact CG2-CG1 4.21Å; V340-V385 CarbonylContact O-C 3.59Å; V340-V385 WeakPolarHBondContact O-CA 3.33Å; Y341-V385 HydrophobicContact CD2-CG2 3.85Å; V385-L433 HydrophobicContact CB-CD1 4.42Å; V385-L433 HydrophobicContact CB-CD2 4.05Å; V385-L433 HydrophobicContact CG1-CD1 4.06Å; V385-L433 HydrophobicContact CG1-CD2 4.47Å; V385-L433 HydrophobicContact CG2-CD1 4.2Å; V385-L433 HydrophobicContact CG2-CD2 3.98Å
386	R	98.7	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.7	173.1	-174.9	-164.7	65.5	-175.9	7.2	110.3	L61 E64 V340 P388	L61-R386 HydrophobicContact CD1-CB 3.57Å; L61-R386 HydrophobicContact CD1-CG 4.27Å; L61-R386 HydrophobicContact CG-CB 4.45Å; E64-R386 HydrophobicContact CB-CG 4.18Å; E64-R386 WeakPolarHBondContact OE2-CD 3.27Å; E64-R386 IonicContact OE2-NH1 2.99Å; E64-R386 PolarHBondContact OE2-NH1 3.07Å; V340-R386 HydrophobicContact CB-CB 4.48Å; V340-R386 PolarHBondContact N-O 3.34Å; V340-R386 PolarHBondContact O-N 2.67Å; R386-P388 HydrophobicContact CG-CG 4.38Å
387	W	98.1	Very high	97.6	Very high	20 Å²	20	29.2 Å²	29.2	8%	0.076	19%	0.191	C	C	.	.			trans	-147.2	94.6	166.6	-170.3	5.1	0	0	0	110.1	P30 N336 I339 G389 K390 V391 V413 M430	P30-W387 HydrophobicContact CB-CH2 4.05Å; P30-W387 HydrophobicContact CB-CZ2 3.54Å; P30-W387 HydrophobicContact CG-CH2 3.76Å; P30-W387 HydrophobicContact CG-CZ2 3.8Å; N336-W387 PolarHBondContact O-NE1 3.48Å; I339-W387 HydrophobicContact CD1-CD2 4.05Å; I339-W387 HydrophobicContact CD1-CE3 3.52Å; I339-W387 HydrophobicContact CD1-CH2 3.92Å; I339-W387 HydrophobicContact CD1-CZ2 4.41Å; I339-W387 HydrophobicContact CD1-CZ3 3.44Å; I339-W387 VanDerWaalsContact CD1-CZ3 3.44Å; I339-W387 HydrophobicContact CG1-CB 4.36Å; I339-W387 HydrophobicContact CG1-CD2 3.45Å; I339-W387 VanDerWaalsContact CG1-CD2 3.45Å; I339-W387 HydrophobicContact CG1-CE3 3.44Å; I339-W387 VanDerWaalsContact CG1-CE3 3.44Å; I339-W387 HydrophobicContact CG1-CG 3.9Å; I339-W387 HydrophobicContact CG1-CH2 4.24Å; I339-W387 HydrophobicContact CG1-CZ2 4.27Å; I339-W387 HydrophobicContact CG1-CZ3 3.85Å; W387-G389 PolarHBondContact O-N 3.16Å; W387-K390 HydrophobicContact CB-CB 4.27Å; W387-K390 HydrophobicContact CD2-CB 3.46Å; W387-K390 VanDerWaalsContact CD2-CB 3.46Å; W387-K390 HydrophobicContact CD2-CG 3.62Å; W387-K390 VanDerWaalsContact CE2-CG 3.44Å; W387-K390 HydrophobicContact CE3-CB 3.69Å; W387-K390 HydrophobicContact CE3-CG 4.11Å; W387-K390 HydrophobicContact CG-CB 3.72Å; W387-K390 HydrophobicContact CG-CG 4.04Å; W387-K390 HydrophobicContact CH2-CG 4.27Å; W387-K390 HydrophobicContact CZ2-CB 4.44Å; W387-K390 HydrophobicContact CZ2-CG 3.78Å; W387-K390 HydrophobicContact CZ3-CB 4.29Å; W387-K390 HydrophobicContact CZ3-CG 4.41Å; W387-K390 PolarHBondContact O-N 2.03Å; W387-K390 VanDerWaalsContact O-N 3.07Å; W387-V391 HydrophobicContact CB-CB 4.31Å; W387-V391 HydrophobicContact CB-CG2 4.06Å; W387-V391 PolarHBondContact O-N 3.26Å; W387-V413 HydrophobicContact CH2-CB 4.44Å; W387-V413 HydrophobicContact CH2-CG1 4.38Å; W387-V413 HydrophobicContact CZ3-CB 4.41Å; W387-V413 HydrophobicContact CZ3-CG1 3.9Å; W387-M430 HydrophobicContact CE3-CE 3.85Å; W387-M430 HydrophobicContact CE3-SD 4.4Å; W387-M430 HydrophobicContact CZ3-CE 3.61Å; W387-M430 HydrophobicContact CZ3-SD 4.19Å
388	P	97.4	Very high	97.5	Very high	27 Å²	27	36.1 Å²	36.1	18%	0.175	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	132.5	-173.7	-27.1	37.8	0	0	0	112.4	R335 R386 K390	R335-P388 HydrophobicContact CG-CG 4.13Å; R335-P388 WeakPolarHBondContact O-CD 3.18Å; R386-P388 HydrophobicContact CG-CG 4.38Å; P388-K390 PolarHBondContact O-N 2.9Å
389	G	93.4	Very high	97.4	Very high	86 Å²	86	37.9 Å²	37.9	89%	0.887	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-7.8	-178.9	0	0	0	0	0	115.4	W387	W387-G389 PolarHBondContact O-N 3.16Å
390	K	95.7	Very high	97.3	Very high	120 Å²	120	37.9 Å²	37.9	52%	0.522	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-32.6	175.7	-60.6	-62.9	-171.9	174.6	0	113.1	W387 P388 Q434	W387-K390 HydrophobicContact CB-CB 4.27Å; W387-K390 HydrophobicContact CD2-CB 3.46Å; W387-K390 VanDerWaalsContact CD2-CB 3.46Å; W387-K390 HydrophobicContact CD2-CG 3.62Å; W387-K390 VanDerWaalsContact CE2-CG 3.44Å; W387-K390 HydrophobicContact CE3-CB 3.69Å; W387-K390 HydrophobicContact CE3-CG 4.11Å; W387-K390 HydrophobicContact CG-CB 3.72Å; W387-K390 HydrophobicContact CG-CG 4.04Å; W387-K390 HydrophobicContact CH2-CG 4.27Å; W387-K390 HydrophobicContact CZ2-CB 4.44Å; W387-K390 HydrophobicContact CZ2-CG 3.78Å; W387-K390 HydrophobicContact CZ3-CB 4.29Å; W387-K390 HydrophobicContact CZ3-CG 4.41Å; W387-K390 PolarHBondContact O-N 2.03Å; W387-K390 VanDerWaalsContact O-N 3.07Å; P388-K390 PolarHBondContact O-N 2.9Å; K390-Q434 WeakPolarHBondContact O-CG 3.46Å
391	V	96.4	Very high	97.3	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.048	23%	0.229	C	C	.	.	S	Bend	trans	-119.6	133.8	176.8	174.3	0	0	0	0	108.5	V66 W387 A393 L433	V66-V391 HydrophobicContact CB-CG1 3.94Å; V66-V391 HydrophobicContact CG2-CG1 3.25Å; W387-V391 HydrophobicContact CB-CB 4.31Å; W387-V391 HydrophobicContact CB-CG2 4.06Å; W387-V391 PolarHBondContact O-N 3.26Å; V391-A393 PolarHBondContact O-N 2.82Å; V391-L433 HydrophobicContact CG1-CB 4.45Å; V391-L433 HydrophobicContact CG2-CB 4.12Å
392	P	96.6	Very high	97.3	Very high	51 Å²	51	37.7 Å²	37.7	33%	0.331	23%	0.229	S	C	.	.			trans	-67.8	130.8	-179	27.7	-35	0	0	0	111.5	V66 R395 L433	V66-P392 HydrophobicContact CG2-CG 4.45Å; P392-R395 HydrophobicContact CB-CB 4.46Å; P392-R395 HydrophobicContact CG-CB 4.09Å; P392-R395 HydrophobicContact CG-CG 4.46Å; P392-L433 VanDerWaalsContact CD-O 3.3Å; P392-L433 WeakPolarHBondContact CD-O 3.42Å
393	A	97.6	Very high	97.3	Very high	69 Å²	69	37.7 Å²	37.7	57%	0.57	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	147.2	176.3	0	0	0	0	0	111.9	E64 G65 V391 R395	E64-A393 WeakPolarHBondContact O-CB 3.49Å; G65-A393 CarbonylContact O-C 3.6Å; V391-A393 PolarHBondContact O-N 2.82Å; A393-R395 PolarHBondContact O-N 3.26Å
394	G	96.1	Very high	97.3	Very high	58 Å²	58	37.7 Å²	37.7	60%	0.598	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	15.5	176.5	0	0	0	0	0	114.5	R63 G65	R63-G394 PolarHBondContact O-N 3.11Å; G65-G394 PolarHBondContact O-N 2.91Å
395	R	96.9	Very high	97.3	Very high	70 Å²	70	37.7 Å²	37.7	26%	0.264	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.7	-176.6	175	176.6	-176.9	-165.6	-0.8	111.6	G65 V66 Q67 P392 A393 I397 L432 L433	G65-R395 PolarHBondContact O-N 3Å; V66-R395 CarbonylContact C-O 3.5Å; V66-R395 VanDerWaalsContact CA-O 3.26Å; V66-R395 WeakPolarHBondContact CA-O 3.5Å; V66-R395 HydrophobicContact CG2-CB 3.86Å; V66-R395 HydrophobicContact CG2-CG 4.2Å; Q67-R395 PolarHBondContact N-O 3.21Å; P392-R395 HydrophobicContact CB-CB 4.46Å; P392-R395 HydrophobicContact CG-CB 4.09Å; P392-R395 HydrophobicContact CG-CG 4.46Å; A393-R395 PolarHBondContact O-N 3.26Å; R395-I397 HydrophobicContact CG-CG1 4.37Å; R395-L432 PolarHBondContact NH1-O 3.19Å; R395-L432 PolarHBondContact NH2-O 3.4Å; R395-L433 PolarHBondContact NH1-O 3.31Å; R395-L433 VanDerWaalsContact NH1-O 3.12Å
396	L	97.8	Very high	97.3	Very high	86 Å²	86	37.8 Å²	37.8	45%	0.45	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.4	173.9	-163.8	70.8	0	0	0	110.7	Q67 T69	Q67-L396 HydrophobicContact CB-CD1 3.9Å; Q67-L396 HydrophobicContact CG-CD1 3.94Å; Q67-L396 WeakPolarHBondContact O-CA 3.34Å; T69-L396 HydrophobicContact CG2-CD1 3.29Å; T69-L396 HydrophobicContact CG2-CD2 4.09Å; T69-L396 HydrophobicContact CG2-CG 3.75Å
397	I	97.7	Very high	97.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.8	174.3	-60.7	-174.9	0	0	0	109.2	V66 Q67 L68 T69 R395 E399 L432 L433	V66-I397 HydrophobicContact CG1-CB 4.39Å; V66-I397 HydrophobicContact CG1-CD1 3.55Å; V66-I397 HydrophobicContact CG1-CG1 3.74Å; V66-I397 HydrophobicContact CG2-CD1 4.5Å; Q67-I397 PolarHBondContact O-N 2.78Å; L68-I397 HydrophobicContact CD2-CB 3.84Å; L68-I397 HydrophobicContact CD2-CD1 4.23Å; L68-I397 HydrophobicContact CD2-CG1 4.43Å; L68-I397 HydrophobicContact CD2-CG2 4.19Å; T69-I397 PolarHBondContact N-O 3.47Å; T69-I397 PolarHBondContact OG1-O 2.82Å; R395-I397 HydrophobicContact CG-CG1 4.37Å; I397-E399 HydrophobicContact CG2-CB 3.99Å; I397-E399 HydrophobicContact CG2-CG 4.49Å; I397-L432 HydrophobicContact CD1-CG 4.05Å; I397-L432 HydrophobicContact CG2-CD1 4.17Å; I397-L432 HydrophobicContact CG2-CD2 3.93Å; I397-L432 HydrophobicContact CG2-CG 4.01Å; I397-L433 HydrophobicContact CD1-CD2 4.33Å
398	K	95.5	Very high	97.3	Very high	144 Å²	144	37.1 Å²	37.1	63%	0.626	23%	0.228	S	C	*	.			trans	-96.7	-11.4	-178.3	-61	-177.8	-179.2	-178.8	0	113.6	T69 Q70	T69-K398 WeakPolarHBondContact OG1-CA 2.95Å; Q70-K398 VanDerWaalsContact CG-O 3.25Å; Q70-K398 WeakPolarHBondContact CG-O 3.38Å
399	E	95.6	Very high	97.4	Very high	38 Å²	38	36.3 Å²	36.3	18%	0.178	22%	0.222	C	C	.	.	S	Bend	trans	-64.7	140.8	177.9	-68.5	-63.6	110.1	0	0	111.4	I397 T401 L432 R438 H439 S440	I397-E399 HydrophobicContact CG2-CB 3.99Å; I397-E399 HydrophobicContact CG2-CG 4.49Å; E399-T401 PolarHBondContact O-N 2.03Å; E399-L432 HydrophobicContact CB-CD1 4.32Å; E399-L432 HydrophobicContact CB-CD2 4.09Å; E399-L432 HydrophobicContact CG-CD1 4.09Å; E399-R438 WeakPolarHBondContact CG-O 3.37Å; E399-H439 IonicContact OE1-ND1 2.7Å; E399-H439 VanDerWaalsContact OE2-CA 3.27Å; E399-H439 WeakPolarHBondContact OE2-CA 3.26Å; E399-H439 IonicContact OE2-CG 3.18Å; E399-H439 IonicContact OE2-ND1 3.68Å; E399-H439 PolarHBondContact OE2-ND1 3.44Å; E399-S440 PolarHBondContact OE2-N 3.26Å; E399-S440 VanDerWaalsContact OE2-N 3.07Å
400	P	96.8	Very high	97.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.182	C	C	.	.			trans	-64.2	129.4	174.7	-30.2	43.2	0	0	0	112.7	Q70 S440 L445 I459	Q70-P400 HydrophobicContact CB-CG 4.3Å; Q70-P400 WeakPolarHBondContact O-CA 3.09Å; P400-S440 WeakPolarHBondContact O-CB 3.45Å; P400-S440 PolarHBondContact O-OG 3.13Å; P400-L445 HydrophobicContact CB-CD1 4.02Å; P400-I459 HydrophobicContact CB-CD1 4.07Å; P400-I459 HydrophobicContact CB-CG1 4.34Å; P400-I459 HydrophobicContact CG-CD1 3.99Å; P400-I459 HydrophobicContact CG-CG1 3.74Å
401	T	98.6	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	163.4	176.9	50.4	0	0	0	0	108.4	Q70 H71 I72 E399 L429 L432	Q70-T401 PolarHBondContact O-N 2.97Å; Q70-T401 PolarHBondContact O-OG1 2.96Å; H71-T401 PolarHBondContact ND1-OG1 3.48Å; I72-T401 WeakPolarHBondContact CB-O 2.97Å; I72-T401 WeakPolarHBondContact CG1-O 3.07Å; I72-T401 PolarHBondContact N-O 2.93Å; E399-T401 PolarHBondContact O-N 2.03Å; T401-L429 HydrophobicContact CG2-CD2 3.55Å; T401-L432 HydrophobicContact CG2-CD2 3.72Å
402	S	98.8	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.2	-176.5	-172.8	0	0	0	0	112.8	H71 I72 M404 D405	H71-S402 PolarHBondContact CE1-O 3.24Å; I72-S402 CarbonylContact O-C 3.59Å; I72-S402 WeakPolarHBondContact O-CA 3.5Å; I72-S402 PolarHBondContact O-OG 2.98Å; I72-S402 VanDerWaalsContact O-OG 3.11Å; S402-M404 PolarHBondContact O-N 2.85Å; S402-M404 WeakPolarHBondContact OG-CE 3.43Å; S402-M404 PolarHBondContact OG-N 2.57Å; S402-D405 PolarHBondContact N-OD2 2.98Å; S402-D405 WeakPolarHBondContact O-CB 3.25Å; S402-D405 VanDerWaalsContact O-CG 3.28Å; S402-D405 PolarHBondContact O-N 3.41Å
403	L	98.8	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.1	166	-65.2	-170.6	0	0	0	112.7	I72 S73 S81 F85 Y341 T343 V381 D405 I406	I72-L403 PolarHBondContact O-N 2.81Å; S73-L403 WeakPolarHBondContact OG-CD1 3.45Å; S81-L403 WeakPolarHBondContact OG-CD1 3.26Å; F85-L403 HydrophobicContact CD2-CB 4.13Å; F85-L403 WeakPolarHBondContact CD2-O 3.23Å; Y341-L403 WeakPolarHBondContact OH-CD2 2.97Å; T343-L403 HydrophobicContact CG2-CD2 3.9Å; T343-L403 VanDerWaalsContact OG1-CD2 3.25Å; T343-L403 WeakPolarHBondContact OG1-CD2 3.23Å; V381-L403 HydrophobicContact CG2-CD2 4.17Å; L403-D405 PolarHBondContact O-N 3.39Å; L403-I406 PolarHBondContact O-N 3.25Å
404	M	98.8	Very high	97.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.6	-19.9	176.8	-63.6	-177.8	-59.3	0	0	112.7	A74 A84 G88 R89 Y90 S402 I406 P408 D425 G426	A74-M404 HydrophobicContact CB-CE 4.39Å; A74-M404 HydrophobicContact CB-CG 3.84Å; A74-M404 HydrophobicContact CB-SD 3.82Å; A84-M404 HydrophobicContact CB-CG 3.94Å; A84-M404 HydrophobicContact CB-SD 4.49Å; G88-M404 WeakPolarHBondContact CA-O 3.43Å; R89-M404 VanDerWaalsContact C-SD 3.55Å; Y90-M404 HydrophobicContact CD1-CE 4.08Å; Y90-M404 HydrophobicContact CD1-SD 3.9Å; Y90-M404 HydrophobicContact CD2-CE 4.41Å; Y90-M404 HydrophobicContact CD2-SD 4.34Å; Y90-M404 HydrophobicContact CE1-CE 3.62Å; Y90-M404 HydrophobicContact CE1-SD 4.09Å; Y90-M404 HydrophobicContact CE2-CE 3.99Å; Y90-M404 HydrophobicContact CG-CE 4.44Å; Y90-M404 HydrophobicContact CG-SD 4.02Å; S402-M404 PolarHBondContact O-N 2.85Å; S402-M404 WeakPolarHBondContact OG-CE 3.43Å; S402-M404 PolarHBondContact OG-N 2.57Å; M404-I406 PolarHBondContact O-N 2.81Å; M404-P408 VanDerWaalsContact O-CD 3.27Å; M404-P408 WeakPolarHBondContact O-CD 3.32Å; M404-D425 HydrophobicContact CE-CB 3.82Å; M404-D425 HydrophobicContact SD-CB 3.77Å; M404-G426 WeakPolarHBondContact O-CA 3.17Å
405	D	98.9	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-72.8	-14.8	-174.7	-63.2	-14.9	0	0	0	112.8	S402 L403 P408 T409 G426 R427 L429 H442	S402-D405 PolarHBondContact N-OD2 2.98Å; S402-D405 WeakPolarHBondContact O-CB 3.25Å; S402-D405 VanDerWaalsContact O-CG 3.28Å; S402-D405 PolarHBondContact O-N 3.41Å; L403-D405 PolarHBondContact O-N 3.39Å; D405-P408 VanDerWaalsContact O-CD 3.26Å; D405-P408 WeakPolarHBondContact O-CD 3.25Å; D405-P408 VanDerWaalsContact O-CG 3.29Å; D405-P408 WeakPolarHBondContact O-CG 3.41Å; D405-T409 VanDerWaalsContact O-CB 3.23Å; D405-T409 WeakPolarHBondContact O-CB 3.36Å; D405-T409 PolarHBondContact O-N 2.94Å; D405-T409 PolarHBondContact O-OG1 2.88Å; D405-G426 VanDerWaalsContact OD1-CA 3.25Å; D405-G426 WeakPolarHBondContact OD1-CA 3.3Å; D405-R427 WeakPolarHBondContact CA-O 3.11Å; D405-R427 WeakPolarHBondContact CB-O 3.35Å; D405-R427 PolarHBondContact OD1-N 3.46Å; D405-L429 HydrophobicContact CB-CD1 3.8Å; D405-L429 HydrophobicContact CB-CD2 3.78Å; D405-L429 HydrophobicContact CB-CG 3.61Å; D405-L429 WeakPolarHBondContact OD2-CD2 3.41Å; D405-H442 IonicContact OD1-CD2 3.95Å; D405-H442 IonicContact OD1-CE1 3.46Å; D405-H442 PolarHBondContact OD1-CE1 3.22Å; D405-H442 VanDerWaalsContact OD1-CE1 3.3Å; D405-H442 IonicContact OD1-NE2 3.82Å; D405-H442 PolarHBondContact OD1-NE2 3.08Å; D405-H442 IonicContact OD2-CD2 2.88Å; D405-H442 IonicContact OD2-NE2 3.97Å; D405-H442 PolarHBondContact OD2-NE2 3.43Å
406	I	98.6	Very high	97.2	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-40.7	-178.7	-65.8	-60.3	0	0	0	112	L34 F85 Y341 L403 M404 T409 V410	L34-I406 HydrophobicContact CD1-CG2 3.82Å; L34-I406 HydrophobicContact CD2-CG2 3.96Å; F85-I406 HydrophobicContact CD2-CB 4.33Å; F85-I406 HydrophobicContact CD2-CG1 4.28Å; F85-I406 HydrophobicContact CE2-CB 3.9Å; F85-I406 HydrophobicContact CE2-CG1 3.66Å; F85-I406 HydrophobicContact CE2-CG2 4.03Å; F85-I406 HydrophobicContact CZ-CB 4.47Å; F85-I406 HydrophobicContact CZ-CG1 4.44Å; F85-I406 HydrophobicContact CZ-CG2 4.09Å; Y341-I406 HydrophobicContact CD1-CD1 4.17Å; Y341-I406 HydrophobicContact CD1-CG1 4.42Å; Y341-I406 HydrophobicContact CD2-CD1 3.59Å; Y341-I406 HydrophobicContact CD2-CG1 4.47Å; Y341-I406 HydrophobicContact CE1-CD1 4.12Å; Y341-I406 HydrophobicContact CE1-CG1 4.01Å; Y341-I406 HydrophobicContact CE2-CD1 3.54Å; Y341-I406 HydrophobicContact CE2-CG1 4.07Å; Y341-I406 HydrophobicContact CG-CD1 3.88Å; L403-I406 PolarHBondContact O-N 3.25Å; M404-I406 PolarHBondContact O-N 2.81Å; I406-T409 PolarHBondContact O-N 2.96Å; I406-V410 HydrophobicContact CG2-CG1 4.03Å; I406-V410 WeakPolarHBondContact O-CG1 3.42Å; I406-V410 WeakPolarHBondContact O-CG2 3.43Å; I406-V410 PolarHBondContact O-N 3.02Å
407	L	98.7	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-52.3	176.4	178.2	133	0	0	0	113.5	L86 F121 L124 V410 A411 L418 I424	L86-L407 WeakPolarHBondContact O-CD1 2.93Å; F121-L407 HydrophobicContact CB-CB 4.45Å; F121-L407 HydrophobicContact CB-CD1 4.34Å; L124-L407 HydrophobicContact CD1-CD1 3.8Å; L124-L407 HydrophobicContact CD1-CD2 4.18Å; L124-L407 HydrophobicContact CD1-CG 3.87Å; L407-V410 WeakPolarHBondContact O-CG2 3.19Å; L407-A411 WeakPolarHBondContact O-CB 3.18Å; L407-A411 PolarHBondContact O-N 2.51Å; L407-L418 HydrophobicContact CD2-CD2 3.38Å; L407-L418 HydrophobicContact CG-CD2 4.45Å; L407-I424 HydrophobicContact CD2-CD1 4.28Å; L407-I424 HydrophobicContact CD2-CG2 4.02Å
408	P	98.7	Very high	97	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.045	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-35.3	175.7	24.1	-32	0	0	0	113.7	M404 D405 A411 S412 L418 G426 R427	M404-P408 VanDerWaalsContact O-CD 3.27Å; M404-P408 WeakPolarHBondContact O-CD 3.32Å; D405-P408 VanDerWaalsContact O-CD 3.26Å; D405-P408 WeakPolarHBondContact O-CD 3.25Å; D405-P408 VanDerWaalsContact O-CG 3.29Å; D405-P408 WeakPolarHBondContact O-CG 3.41Å; P408-A411 PolarHBondContact O-N 2.91Å; P408-S412 WeakPolarHBondContact O-CB 3.29Å; P408-S412 PolarHBondContact O-N 2.78Å; P408-L418 HydrophobicContact CB-CD1 3.92Å; P408-L418 HydrophobicContact CB-CD2 4.13Å; P408-G426 VanDerWaalsContact CG-C 3.47Å; P408-R427 WeakPolarHBondContact CG-O 3.37Å
409	T	98.6	Very high	97.1	Very high	10 Å²	10	19.3 Å²	19.3	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-47	176.5	-57	0	0	0	0	111.2	D405 I406 S412 V413 L429 M430	D405-T409 VanDerWaalsContact O-CB 3.23Å; D405-T409 WeakPolarHBondContact O-CB 3.36Å; D405-T409 PolarHBondContact O-N 2.94Å; D405-T409 PolarHBondContact O-OG1 2.88Å; I406-T409 PolarHBondContact O-N 2.96Å; T409-S412 WeakPolarHBondContact O-CB 3.49Å; T409-S412 PolarHBondContact O-N 3.33Å; T409-V413 PolarHBondContact O-N 3.12Å; T409-V413 VanDerWaalsContact O-N 3.1Å; T409-L429 HydrophobicContact CG2-CB 4.23Å; T409-L429 WeakPolarHBondContact OG1-CB 3.31Å; T409-L429 PolarHBondContact OG1-N 2.02Å; T409-M430 HydrophobicContact CG2-CG 3.95Å; T409-M430 HydrophobicContact CG2-SD 4.13Å
410	V	98.3	Very high	97.1	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-72.7	-30.3	179.4	-58.8	0	0	0	0	112.7	I32 F121 L125 I406 L407 S414	I32-V410 HydrophobicContact CD1-CB 4.01Å; I32-V410 HydrophobicContact CD1-CG1 4.13Å; I32-V410 HydrophobicContact CG2-CG1 3.99Å; F121-V410 HydrophobicContact CB-CG2 3.61Å; F121-V410 HydrophobicContact CG-CG2 4.5Å; L125-V410 HydrophobicContact CD1-CB 4.18Å; L125-V410 HydrophobicContact CD1-CG2 4.07Å; L125-V410 HydrophobicContact CG-CG2 4.45Å; I406-V410 HydrophobicContact CG2-CG1 4.03Å; I406-V410 WeakPolarHBondContact O-CG1 3.42Å; I406-V410 WeakPolarHBondContact O-CG2 3.43Å; I406-V410 PolarHBondContact O-N 3.02Å; L407-V410 WeakPolarHBondContact O-CG2 3.19Å; V410-S414 VanDerWaalsContact O-CB 3.27Å; V410-S414 WeakPolarHBondContact O-CB 3.04Å; V410-S414 PolarHBondContact O-N 3Å; V410-S414 PolarHBondContact O-OG 3.05Å
411	A	97.7	Very high	97.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-47.3	170	0	0	0	0	0	110.8	L407 P408 S414 G415 G416 L418	L407-A411 WeakPolarHBondContact O-CB 3.18Å; L407-A411 PolarHBondContact O-N 2.51Å; P408-A411 PolarHBondContact O-N 2.91Å; A411-S414 PolarHBondContact O-N 3.05Å; A411-S414 PolarHBondContact O-OG 3.34Å; A411-S414 VanDerWaalsContact O-OG 3.11Å; A411-G415 PolarHBondContact O-N 3.41Å; A411-G416 PolarHBondContact O-N 3.38Å; A411-L418 HydrophobicContact CB-CD2 3.99Å
412	S	96.1	Very high	97	Very high	62 Å²	62	33.7 Å²	33.7	43%	0.434	20%	0.204	S	C	.	.	H	α-helix	trans	-57.4	-53.2	178.9	-174.9	0	0	0	0	112.3	P408 T409 S414 G415 D428	P408-S412 WeakPolarHBondContact O-CB 3.29Å; P408-S412 PolarHBondContact O-N 2.78Å; T409-S412 WeakPolarHBondContact O-CB 3.49Å; T409-S412 PolarHBondContact O-N 3.33Å; S412-S414 VanDerWaalsContact C-N 3.28Å; S412-S414 PolarHBondContact O-N 2.75Å; S412-G415 PolarHBondContact O-N 2.99Å; S412-D428 WeakPolarHBondContact CB-OD2 3.42Å; S412-D428 PolarHBondContact OG-OD2 2.93Å
413	V	96.2	Very high	97	Very high	26 Å²	26	36.8 Å²	36.8	16%	0.158	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-19.6	-177.2	-57	0	0	0	0	114.3	P30 I32 I339 W387 T409 M430	P30-V413 WeakPolarHBondContact CD-O 3.26Å; P30-V413 HydrophobicContact CG-CB 4.22Å; P30-V413 HydrophobicContact CG-CG2 4.19Å; I32-V413 HydrophobicContact CD1-CG2 4.23Å; I339-V413 HydrophobicContact CD1-CB 4.11Å; I339-V413 HydrophobicContact CD1-CG1 4.04Å; I339-V413 HydrophobicContact CD1-CG2 3.77Å; W387-V413 HydrophobicContact CH2-CB 4.44Å; W387-V413 HydrophobicContact CH2-CG1 4.38Å; W387-V413 HydrophobicContact CZ3-CB 4.41Å; W387-V413 HydrophobicContact CZ3-CG1 3.9Å; T409-V413 PolarHBondContact O-N 3.12Å; T409-V413 VanDerWaalsContact O-N 3.1Å; V413-M430 HydrophobicContact CG1-CE 4.27Å; V413-M430 HydrophobicContact CG1-CG 3.47Å; V413-M430 VanDerWaalsContact CG1-CG 3.47Å; V413-M430 HydrophobicContact CG1-SD 3.62Å
414	S	95.6	Very high	96.9	Very high	3 Å²	3	38 Å²	38	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-94.4	-4.7	177.7	62.2	0	0	0	0	113.6	K29 L125 V410 A411 S412 G416	K29-S414 WeakPolarHBondContact CE-O 3.18Å; L125-S414 WeakPolarHBondContact CD2-OG 3.37Å; V410-S414 VanDerWaalsContact O-CB 3.27Å; V410-S414 WeakPolarHBondContact O-CB 3.04Å; V410-S414 PolarHBondContact O-N 3Å; V410-S414 PolarHBondContact O-OG 3.05Å; A411-S414 PolarHBondContact O-N 3.05Å; A411-S414 PolarHBondContact O-OG 3.34Å; A411-S414 VanDerWaalsContact O-OG 3.11Å; S412-S414 VanDerWaalsContact C-N 3.28Å; S412-S414 PolarHBondContact O-N 2.75Å; S414-G416 VanDerWaalsContact C-N 3.26Å
415	G	93.3	Very high	96.9	Very high	64 Å²	64	38.8 Å²	38.8	66%	0.66	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	15	-172.4	0	0	0	0	0	114	A411 S412	A411-G415 PolarHBondContact O-N 3.41Å; S412-G415 PolarHBondContact O-N 2.99Å
416	G	92.4	Very high	96.9	Very high	15 Å²	15	39 Å²	39	16%	0.155	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-80.3	151.7	177.1	0	0	0	0	0	113.4	A411 S414	A411-G416 PolarHBondContact O-N 3.38Å; S414-G416 VanDerWaalsContact C-N 3.26Å
417	S	94.6	Very high	96.9	Very high	90 Å²	90	43.9 Å²	43.9	63%	0.629	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-96.7	139.8	174.1	60.3	0	0	0	0	111.8
418	L	97.6	Very high	96.9	Very high	52 Å²	52	45.9 Å²	45.9	27%	0.272	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.4	151.5	171.4	-69	177.5	0	0	0	112.3	L407 P408 A411 Q420 I424	L407-L418 HydrophobicContact CD2-CD2 3.38Å; L407-L418 HydrophobicContact CG-CD2 4.45Å; P408-L418 HydrophobicContact CB-CD1 3.92Å; P408-L418 HydrophobicContact CB-CD2 4.13Å; A411-L418 HydrophobicContact CB-CD2 3.99Å; L418-Q420 PolarHBondContact O-N 3.04Å; L418-Q420 PolarHBondContact O-NE2 3.04Å; L418-I424 HydrophobicContact CD1-CG2 4.47Å
419	P	96.2	Very high	96.9	Very high	21 Å²	21	45.7 Å²	45.7	14%	0.136	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.4	132.7	169.4	-22.8	33.5	0	0	0	111.5	T119 D421 R422 I424	T119-P419 HydrophobicContact CG2-CG 3.99Å; P419-D421 WeakPolarHBondContact CB-OD1 3.32Å; P419-R422 HydrophobicContact CB-CG 4.05Å; P419-I424 HydrophobicContact CG-CD1 4.33Å
420	Q	96.7	Very high	96.8	Very high	170 Å²	170	45.7 Å²	45.7	79%	0.794	26%	0.263	S	S	*	.	S	Bend	trans	-101.3	-7.6	180	-58.4	-59	-57.2	0	0	112.8	L418 R422	L418-Q420 PolarHBondContact O-N 3.04Å; L418-Q420 PolarHBondContact O-NE2 3.04Å; Q420-R422 VanDerWaalsContact C-N 3.31Å
421	D	96.4	Very high	96.8	Very high	118 Å²	118	47.9 Å²	47.9	63%	0.631	28%	0.277	S	S	*	.	S	Bend	trans	-85.8	-2.9	-177.8	67.9	-32.6	0	0	0	113.1	P419	P419-D421 WeakPolarHBondContact CB-OD1 3.32Å
422	R	96.6	Very high	96.8	Very high	54 Å²	54	48.1 Å²	48.1	20%	0.204	28%	0.278	C	S	.	.	S	Bend	trans	-155.3	159	-171.8	74.4	-169.7	65.7	-163.1	-2	111.6	N117 E118 P419 Q420 I424	N117-R422 PolarHBondContact O-NH1 3.04Å; N117-R422 PolarHBondContact O-NH2 2.75Å; E118-R422 IonicContact OE2-NH1 2.67Å; E118-R422 PolarHBondContact OE2-NH1 2.6Å; P419-R422 HydrophobicContact CB-CG 4.05Å; Q420-R422 VanDerWaalsContact C-N 3.31Å; R422-I424 HydrophobicContact CG-CD1 4.17Å
423	V	97.7	Very high	96.9	Very high	65 Å²	65	45.3 Å²	45.3	39%	0.394	26%	0.258	S	S	.	.			trans	-69.6	132.4	172.8	-179.6	0	0	0	0	110.4	R89	R89-V423 WeakPolarHBondContact CG-O 3.39Å; R89-V423 PolarHBondContact NH1-O 2.91Å
424	I	98.4	Very high	96.9	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.138	27%	0.266	C	S	.	.			trans	-107.6	123.2	165.4	-57.7	-58.2	0	0	0	106.8	R89 L407 L418 P419 R422	R89-I424 HydrophobicContact CG-CD1 4.05Å; L407-I424 HydrophobicContact CD2-CD1 4.28Å; L407-I424 HydrophobicContact CD2-CG2 4.02Å; L418-I424 HydrophobicContact CD1-CG2 4.47Å; P419-I424 HydrophobicContact CG-CD1 4.33Å; R422-I424 HydrophobicContact CG-CD1 4.17Å
425	D	98.6	Very high	96.9	Very high	17 Å²	17	49.1 Å²	49.1	9%	0.091	28%	0.284	C	S	.	.			trans	-86.2	-29.7	-176.7	-60.2	-70	0	0	0	111.7	G88 R89 Y90 R93 M404	G88-D425 PolarHBondContact O-N 3.35Å; R89-D425 VanDerWaalsContact CA-OD2 3.28Å; R89-D425 WeakPolarHBondContact CA-OD2 3.33Å; Y90-D425 HydrophobicContact CD2-CB 3.9Å; Y90-D425 WeakPolarHBondContact CD2-OD1 3.18Å; Y90-D425 WeakPolarHBondContact CD2-OD2 3.42Å; Y90-D425 HydrophobicContact CE2-CB 3.93Å; Y90-D425 PolarHBondContact N-OD2 3.49Å; R93-D425 VanDerWaalsContact CD-OD2 3.23Å; R93-D425 WeakPolarHBondContact CD-OD2 3.38Å; R93-D425 IonicContact CZ-OD1 3.05Å; R93-D425 VanDerWaalsContact CZ-OD1 3.26Å; R93-D425 IonicContact CZ-OD2 2.74Å; R93-D425 VanDerWaalsContact NE-CG 3.26Å; R93-D425 IonicContact NE-OD1 2.57Å; R93-D425 PolarHBondContact NE-OD1 2.98Å; R93-D425 IonicContact NE-OD2 3.26Å; R93-D425 PolarHBondContact NE-OD2 2.83Å; R93-D425 IonicContact NH2-OD1 3.04Å; R93-D425 PolarHBondContact NH2-OD1 3.27Å; R93-D425 IonicContact NH2-OD2 3.89Å; M404-D425 HydrophobicContact CE-CB 3.82Å; M404-D425 HydrophobicContact SD-CB 3.77Å
426	G	98.5	Very high	97.1	Very high	5 Å²	5	52.2 Å²	52.2	5%	0.052	29%	0.286	C	S	.	.			trans	-63.7	157.5	174.9	0	0	0	0	0	113.3	G88 M404 D405 P408	G88-G426 PolarHBondContact O-N 3.42Å; M404-G426 WeakPolarHBondContact O-CA 3.17Å; D405-G426 VanDerWaalsContact OD1-CA 3.25Å; D405-G426 WeakPolarHBondContact OD1-CA 3.3Å; P408-G426 VanDerWaalsContact CG-C 3.47Å
427	R	98.3	Very high	97.2	Very high	108 Å²	108	52.9 Å²	52.9	41%	0.408	29%	0.289	S	S	.	.			trans	-124.9	150.6	178.7	-57.9	-64.8	176.9	175.2	-2.9	111.4	D405 P408 L429 E441 H442	D405-R427 WeakPolarHBondContact CA-O 3.11Å; D405-R427 WeakPolarHBondContact CB-O 3.35Å; D405-R427 PolarHBondContact OD1-N 3.46Å; P408-R427 WeakPolarHBondContact CG-O 3.37Å; R427-L429 PolarHBondContact O-N 3.27Å; R427-E441 HydrophobicContact CB-CB 3.94Å; R427-E441 WeakPolarHBondContact CD-OE2 3.44Å; R427-E441 HydrophobicContact CG-CB 3.73Å; R427-H442 VanDerWaalsContact CG-CE1 3.42Å; R427-H442 WeakPolarHBondContact CG-CE1 3.37Å
428	D	98.3	Very high	97	Very high	42 Å²	42	58.5 Å²	58.5	23%	0.225	30%	0.297	C	S	.	.			trans	-69.4	120.9	176.4	-179.6	9.8	0	0	0	110.1	S412 M430	S412-D428 WeakPolarHBondContact CB-OD2 3.42Å; S412-D428 PolarHBondContact OG-OD2 2.93Å; D428-M430 WeakPolarHBondContact OD1-CB 3.1Å; D428-M430 WeakPolarHBondContact OD1-CG 3.44Å; D428-M430 PolarHBondContact OD1-N 3.09Å
429	L	98.1	Very high	96.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.297	C	S	.	.			trans	-81.7	-16.8	179.3	-62.6	-179.1	0	0	0	113	T401 D405 T409 R427 L432 L433	T401-L429 HydrophobicContact CG2-CD2 3.55Å; D405-L429 HydrophobicContact CB-CD1 3.8Å; D405-L429 HydrophobicContact CB-CD2 3.78Å; D405-L429 HydrophobicContact CB-CG 3.61Å; D405-L429 WeakPolarHBondContact OD2-CD2 3.41Å; T409-L429 HydrophobicContact CG2-CB 4.23Å; T409-L429 WeakPolarHBondContact OG1-CB 3.31Å; T409-L429 PolarHBondContact OG1-N 2.02Å; R427-L429 PolarHBondContact O-N 3.27Å; L429-L432 WeakPolarHBondContact O-CB 3.5Å; L429-L432 PolarHBondContact O-N 3.05Å; L429-L433 HydrophobicContact CB-CD1 3.66Å; L429-L433 HydrophobicContact CB-CG 3.94Å; L429-L433 WeakPolarHBondContact O-CB 3.09Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.36Å; L429-L433 PolarHBondContact O-N 3.31Å
430	M	97.6	Very high	96.7	Very high	11 Å²	11	58.2 Å²	58.2	5%	0.054	29%	0.293	C	S	.	.	H	α-helix	trans	-55.3	-45.5	-171.6	-74	-53.7	-57.3	0	0	113.7	W387 T409 V413 D428 L432 L433 Q434	W387-M430 HydrophobicContact CE3-CE 3.85Å; W387-M430 HydrophobicContact CE3-SD 4.4Å; W387-M430 HydrophobicContact CZ3-CE 3.61Å; W387-M430 HydrophobicContact CZ3-SD 4.19Å; T409-M430 HydrophobicContact CG2-CG 3.95Å; T409-M430 HydrophobicContact CG2-SD 4.13Å; V413-M430 HydrophobicContact CG1-CE 4.27Å; V413-M430 HydrophobicContact CG1-CG 3.47Å; V413-M430 VanDerWaalsContact CG1-CG 3.47Å; V413-M430 HydrophobicContact CG1-SD 3.62Å; D428-M430 WeakPolarHBondContact OD1-CB 3.1Å; D428-M430 WeakPolarHBondContact OD1-CG 3.44Å; D428-M430 PolarHBondContact OD1-N 3.09Å; M430-L432 VanDerWaalsContact C-N 3.28Å; M430-L432 PolarHBondContact O-N 2.99Å; M430-L433 PolarHBondContact O-N 3.09Å; M430-L433 HydrophobicContact SD-CD1 4.21Å; M430-Q434 HydrophobicContact CE-CG 3.91Å; M430-Q434 VanDerWaalsContact O-CB 3.28Å; M430-Q434 WeakPolarHBondContact O-CB 3.1Å; M430-Q434 WeakPolarHBondContact O-CG 3.36Å; M430-Q434 PolarHBondContact O-N 2.76Å
431	P	97.9	Very high	96.6	Very high	51 Å²	51	55.4 Å²	55.4	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-40.6	176.4	-25.4	35.7	0	0	0	112.9	G435 N436 A437	P431-G435 PolarHBondContact O-N 2.68Å; P431-G435 VanDerWaalsContact O-N 3.12Å; P431-N436 PolarHBondContact O-N 3.46Å; P431-A437 HydrophobicContact CB-CB 3.83Å; P431-A437 PolarHBondContact O-N 3.35Å
432	L	97.6	Very high	96.6	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-48.1	180	-176.1	63.1	0	0	0	111.2	R395 I397 E399 T401 L429 M430 Q434 G435	R395-L432 PolarHBondContact NH1-O 3.19Å; R395-L432 PolarHBondContact NH2-O 3.4Å; I397-L432 HydrophobicContact CD1-CG 4.05Å; I397-L432 HydrophobicContact CG2-CD1 4.17Å; I397-L432 HydrophobicContact CG2-CD2 3.93Å; I397-L432 HydrophobicContact CG2-CG 4.01Å; E399-L432 HydrophobicContact CB-CD1 4.32Å; E399-L432 HydrophobicContact CB-CD2 4.09Å; E399-L432 HydrophobicContact CG-CD1 4.09Å; T401-L432 HydrophobicContact CG2-CD2 3.72Å; L429-L432 WeakPolarHBondContact O-CB 3.5Å; L429-L432 PolarHBondContact O-N 3.05Å; M430-L432 VanDerWaalsContact C-N 3.28Å; M430-L432 PolarHBondContact O-N 2.99Å; L432-Q434 VanDerWaalsContact C-N 3.35Å; L432-Q434 PolarHBondContact O-N 2.62Å; L432-G435 PolarHBondContact O-N 3.32Å; L432-G435 VanDerWaalsContact O-N 3.12Å
433	L	97.9	Very high	96.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-43.8	178.6	-67.5	170.6	0	0	0	111.7	V66 L68 V385 V391 P392 R395 I397 L429 M430 G435	V66-L433 HydrophobicContact CB-CD2 4.16Å; V66-L433 HydrophobicContact CG1-CD2 3.8Å; L68-L433 HydrophobicContact CD2-CD2 4.21Å; V385-L433 HydrophobicContact CB-CD1 4.42Å; V385-L433 HydrophobicContact CB-CD2 4.05Å; V385-L433 HydrophobicContact CG1-CD1 4.06Å; V385-L433 HydrophobicContact CG1-CD2 4.47Å; V385-L433 HydrophobicContact CG2-CD1 4.2Å; V385-L433 HydrophobicContact CG2-CD2 3.98Å; V391-L433 HydrophobicContact CG1-CB 4.45Å; V391-L433 HydrophobicContact CG2-CB 4.12Å; P392-L433 VanDerWaalsContact CD-O 3.3Å; P392-L433 WeakPolarHBondContact CD-O 3.42Å; R395-L433 PolarHBondContact NH1-O 3.31Å; R395-L433 VanDerWaalsContact NH1-O 3.12Å; I397-L433 HydrophobicContact CD1-CD2 4.33Å; L429-L433 HydrophobicContact CB-CD1 3.66Å; L429-L433 HydrophobicContact CB-CG 3.94Å; L429-L433 WeakPolarHBondContact O-CB 3.09Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.36Å; L429-L433 PolarHBondContact O-N 3.31Å; M430-L433 PolarHBondContact O-N 3.09Å; M430-L433 HydrophobicContact SD-CD1 4.21Å; L433-G435 VanDerWaalsContact C-N 3.3Å; L433-G435 PolarHBondContact O-N 3.37Å
434	Q	97.4	Very high	96.6	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-72.8	-22	178.1	-69	176.8	-26.7	0	0	113.1	K390 M430 L432 N436	K390-Q434 WeakPolarHBondContact O-CG 3.46Å; M430-Q434 HydrophobicContact CE-CG 3.91Å; M430-Q434 VanDerWaalsContact O-CB 3.28Å; M430-Q434 WeakPolarHBondContact O-CB 3.1Å; M430-Q434 WeakPolarHBondContact O-CG 3.36Å; M430-Q434 PolarHBondContact O-N 2.76Å; L432-Q434 VanDerWaalsContact C-N 3.35Å; L432-Q434 PolarHBondContact O-N 2.62Å; Q434-N436 PolarHBondContact OE1-ND2 3.14Å; Q434-N436 VanDerWaalsContact OE1-ND2 3.08Å
435	G	95.8	Very high	96.6	Very high	38 Å²	38	48 Å²	48	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	14.5	-176.5	0	0	0	0	0	114.5	P431 L432 L433 A437	P431-G435 PolarHBondContact O-N 2.68Å; P431-G435 VanDerWaalsContact O-N 3.12Å; L432-G435 PolarHBondContact O-N 3.32Å; L432-G435 VanDerWaalsContact O-N 3.12Å; L433-G435 VanDerWaalsContact C-N 3.3Å; L433-G435 PolarHBondContact O-N 3.37Å; G435-A437 VanDerWaalsContact C-N 3.32Å
436	N	96.4	Very high	96.6	Very high	129 Å²	129	48.1 Å²	48.1	69%	0.69	24%	0.238	S	C	*	.	S	Bend	trans	-78.6	-21.4	172.7	-62.2	-24.3	0	0	0	111.5	P431 Q434	P431-N436 PolarHBondContact O-N 3.46Å; Q434-N436 PolarHBondContact OE1-ND2 3.14Å; Q434-N436 VanDerWaalsContact OE1-ND2 3.08Å
437	A	94.9	Very high	96.6	Very high	28 Å²	28	48.1 Å²	48.1	23%	0.231	24%	0.237	C	C	.	.			trans	-116.7	140.7	170.7	0	0	0	0	0	111.2	P431 G435	P431-A437 HydrophobicContact CB-CB 3.83Å; P431-A437 PolarHBondContact O-N 3.35Å; G435-A437 VanDerWaalsContact C-N 3.32Å
438	R	90.9	Very high	96.6	Very high	208 Å²	208	43.8 Å²	43.8	79%	0.785	22%	0.221	S	C	*	.	S	Bend	trans	-83.2	-39.1	173.6	-69.7	-174.4	178.6	-172.5	-0.1	112.4	E399	E399-R438 WeakPolarHBondContact CG-O 3.37Å
439	H	93.2	Very high	96.6	Very high	59 Å²	59	41.9 Å²	41.9	27%	0.273	21%	0.211	S	C	.	.	S	Bend	trans	-110.9	150.2	-176.8	-61.6	-70	0	0	0	111.5	E399	E399-H439 IonicContact OE1-ND1 2.7Å; E399-H439 VanDerWaalsContact OE2-CA 3.27Å; E399-H439 WeakPolarHBondContact OE2-CA 3.26Å; E399-H439 IonicContact OE2-CG 3.18Å; E399-H439 IonicContact OE2-ND1 3.68Å; E399-H439 PolarHBondContact OE2-ND1 3.44Å
440	S	92.6	Very high	96.4	Very high	8 Å²	8	42.6 Å²	42.6	6%	0.056	22%	0.218	C	C	.	.			trans	-65.1	151.5	164.2	179.4	0	0	0	0	110.5	E399 P400 H442	E399-S440 PolarHBondContact OE2-N 3.26Å; E399-S440 VanDerWaalsContact OE2-N 3.07Å; P400-S440 WeakPolarHBondContact O-CB 3.45Å; P400-S440 PolarHBondContact O-OG 3.13Å; S440-H442 PolarHBondContact O-N 3.2Å; S440-H442 PolarHBondContact OG-CD2 3.03Å; S440-H442 PolarHBondContact OG-N 3.31Å
441	E	94.8	Very high	96.3	Very high	111 Å²	111	42.8 Å²	42.8	52%	0.519	22%	0.221	S	C	.	.	S	Bend	trans	-72	-11.2	172.7	-64.2	-164.2	132.8	0	0	112.6	R427 E443	R427-E441 HydrophobicContact CB-CB 3.94Å; R427-E441 WeakPolarHBondContact CD-OE2 3.44Å; R427-E441 HydrophobicContact CG-CB 3.73Å; E441-E443 PolarHBondContact O-N 3.24Å; E441-E443 VanDerWaalsContact O-N 3.16Å
442	H	96.4	Very high	96.3	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	22%	0.221	C	C	.	.			trans	-73.6	98.3	175.6	-69.6	-58.5	0	0	0	111.9	D405 R427 S440 L445 I459	D405-H442 IonicContact OD1-CD2 3.95Å; D405-H442 IonicContact OD1-CE1 3.46Å; D405-H442 PolarHBondContact OD1-CE1 3.22Å; D405-H442 VanDerWaalsContact OD1-CE1 3.3Å; D405-H442 IonicContact OD1-NE2 3.82Å; D405-H442 PolarHBondContact OD1-NE2 3.08Å; D405-H442 IonicContact OD2-CD2 2.88Å; D405-H442 IonicContact OD2-NE2 3.97Å; D405-H442 PolarHBondContact OD2-NE2 3.43Å; R427-H442 VanDerWaalsContact CG-CE1 3.42Å; R427-H442 WeakPolarHBondContact CG-CE1 3.37Å; S440-H442 PolarHBondContact O-N 3.2Å; S440-H442 PolarHBondContact OG-CD2 3.03Å; S440-H442 PolarHBondContact OG-N 3.31Å; H442-L445 HydrophobicContact CB-CD2 4.38Å; H442-L445 HydrophobicContact CB-CG 4.28Å; H442-I459 WeakPolarHBondContact O-CD1 3.5Å
443	E	96.1	Very high	96.3	Very high	59 Å²	59	44.2 Å²	44.2	28%	0.276	22%	0.223	S	C	.	.	S	Bend	trans	-80.4	-35.9	165.6	-167.6	175.4	156.1	0	0	111.5	E441 W458 I459	E441-E443 PolarHBondContact O-N 3.24Å; E441-E443 VanDerWaalsContact O-N 3.16Å; E443-W458 CarbonylContact O-C 3.57Å; E443-W458 WeakPolarHBondContact O-CA 3.21Å; E443-I459 WeakPolarHBondContact CG-O 3.33Å; E443-I459 PolarHBondContact O-N 3.16Å
444	F	98.3	Very high	96.3	Very high	39 Å²	39	44.1 Å²	44.1	17%	0.171	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.5	179.6	-67.4	-86.1	0	0	0	111.2	F446 V456 R457 W458 K533 A537	F444-F446 HydrophobicContact CB-CE2 4.03Å; F444-F446 HydrophobicContact CB-CZ 3.87Å; F444-V456 HydrophobicContact CD1-CG1 4.27Å; F444-R457 VanDerWaalsContact CA-O 3.3Å; F444-R457 WeakPolarHBondContact CA-O 3.18Å; F444-W458 HydrophobicContact CD1-CB 3.84Å; F444-W458 AromaticContact CD1-CD1 3.7Å; F444-W458 HydrophobicContact CD1-CG 4.02Å; F444-W458 HydrophobicContact CE1-CB 3.61Å; F444-W458 AromaticContact CE1-CD1 3.15Å; F444-W458 HydrophobicContact CE1-CD2 4.3Å; F444-W458 AromaticContact CE1-CG 3.42Å; F444-W458 HydrophobicContact CE1-CG 3.42Å; F444-W458 VanDerWaalsContact CE1-CG 3.42Å; F444-W458 AromaticContact CE1-NE1 3.92Å; F444-W458 AromaticContact CE2-CD1 3.75Å; F444-W458 AromaticContact CE2-NE1 3.99Å; F444-W458 HydrophobicContact CZ-CB 4.49Å; F444-W458 AromaticContact CZ-CD1 3.17Å; F444-W458 HydrophobicContact CZ-CD2 4.44Å; F444-W458 AromaticContact CZ-CG 3.83Å; F444-W458 HydrophobicContact CZ-CG 3.83Å; F444-W458 AromaticContact CZ-NE1 3.49Å; F444-K533 HydrophobicContact CZ-CG 4.17Å; F444-A537 HydrophobicContact CD1-CB 3.56Å; F444-A537 HydrophobicContact CD2-CB 3.95Å; F444-A537 HydrophobicContact CE1-CB 3.33Å; F444-A537 HydrophobicContact CE2-CB 3.75Å; F444-A537 HydrophobicContact CG-CB 3.86Å; F444-A537 HydrophobicContact CZ-CB 3.44Å; F444-A537 VanDerWaalsContact CZ-CB 3.44Å
445	L	98.7	Very high	96.4	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.1	169	-70.1	169.6	0	0	0	109.5	I72 P400 H442 V456 R457	I72-L445 HydrophobicContact CG1-CD1 4.37Å; P400-L445 HydrophobicContact CB-CD1 4.02Å; H442-L445 HydrophobicContact CB-CD2 4.38Å; H442-L445 HydrophobicContact CB-CG 4.28Å; L445-V456 WeakPolarHBondContact O-CA 3.46Å; L445-R457 HydrophobicContact CB-CB 4.25Å; L445-R457 PolarHBondContact N-O 3.38Å; L445-R457 PolarHBondContact O-N 2.9Å
446	F	98.8	Very high	96.5	Very high	19 Å²	19	39 Å²	39	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.8	-174.5	-58	-81.6	0	0	0	109.4	Y90 F444 Y448 L453 V456 L538 H541	Y90-F446 HydrophobicContact CE1-CB 4.36Å; Y90-F446 WeakPolarHBondContact CE1-O 3.27Å; Y90-F446 HydrophobicContact CE2-CB 4.35Å; Y90-F446 AromaticContact CE2-CD2 3.99Å; Y90-F446 HydrophobicContact CE2-CD2 3.99Å; Y90-F446 PolarHBondContact OH-N 3.24Å; F444-F446 HydrophobicContact CB-CE2 4.03Å; F444-F446 HydrophobicContact CB-CZ 3.87Å; F446-Y448 HydrophobicContact CB-CD2 4.41Å; F446-Y448 HydrophobicContact CB-CE2 3.88Å; F446-L453 HydrophobicContact CB-CD1 3.91Å; F446-L453 HydrophobicContact CD1-CD1 4.27Å; F446-V456 HydrophobicContact CD1-CB 4.5Å; F446-V456 HydrophobicContact CD1-CG1 3.93Å; F446-V456 HydrophobicContact CD1-CG2 3.89Å; F446-V456 HydrophobicContact CE1-CG1 3.84Å; F446-V456 HydrophobicContact CE1-CG2 4.31Å; F446-L538 HydrophobicContact CD1-CD1 4.26Å; F446-L538 HydrophobicContact CE1-CD1 4.4Å; F446-H541 HydrophobicContact CD1-CB 4.19Å; F446-H541 AromaticContact CD1-CD2 3.7Å; F446-H541 AromaticContact CD1-CG 3.93Å; F446-H541 HydrophobicContact CD2-CB 4.28Å; F446-H541 AromaticContact CD2-CD2 3.89Å; F446-H541 AromaticContact CD2-CE1 3.79Å; F446-H541 AromaticContact CD2-CG 3.66Å; F446-H541 AromaticContact CD2-ND1 3.63Å; F446-H541 AromaticContact CD2-NE2 3.96Å; F446-H541 HydrophobicContact CE1-CB 3.62Å; F446-H541 AromaticContact CE1-CG 3.86Å; F446-H541 HydrophobicContact CE2-CB 3.72Å; F446-H541 AromaticContact CE2-CG 3.58Å; F446-H541 AromaticContact CE2-ND1 3.67Å; F446-H541 AromaticContact CG-CD2 3.63Å; F446-H541 AromaticContact CG-CG 3.85Å; F446-H541 AromaticContact CG-NE2 3.8Å; F446-H541 HydrophobicContact CZ-CB 3.36Å; F446-H541 AromaticContact CZ-CG 3.7Å
447	H	98.8	Very high	96.6	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.5	-170.9	-55.6	-53.7	0	0	0	110.2	G373 I379 H454 A455 R457	G373-H447 WeakPolarHBondContact O-CB 3.35Å; I379-H447 WeakPolarHBondContact CD1-ND1 3.26Å; H447-H454 PolarHBondContact O-N 2.71Å; H447-A455 WeakPolarHBondContact CA-O 3.33Å; H447-A455 HydrophobicContact CB-CB 4.11Å; H447-A455 WeakPolarHBondContact CB-O 3.37Å; H447-A455 PolarHBondContact N-O 3.25Å; H447-A455 PolarHBondContact O-N 3.05Å; H447-R457 VanDerWaalsContact NE2-CB 3.34Å; H447-R457 WeakPolarHBondContact NE2-CB 3.43Å
448	Y	98.4	Very high	96.8	Very high	17 Å²	17	32.3 Å²	32.3	7%	0.067	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.5	-177.4	-74.6	-95.3	0	0	0	112.2	Y90 I92 F446 Q452 L453 H541	Y90-Y448 HydrophobicContact CD1-CD2 4.36Å; I92-Y448 HydrophobicContact CB-CE1 4.36Å; I92-Y448 HydrophobicContact CG1-CE1 4.34Å; I92-Y448 HydrophobicContact CG2-CE1 4.34Å; I92-Y448 HydrophobicContact CG2-CE2 4.26Å; F446-Y448 HydrophobicContact CB-CD2 4.41Å; F446-Y448 HydrophobicContact CB-CE2 3.88Å; Y448-Q452 CarbonylContact C-O 3.54Å; Y448-Q452 WeakPolarHBondContact CA-O 3.45Å; Y448-L453 HydrophobicContact CD1-CB 4.4Å; Y448-L453 HydrophobicContact CD2-CD1 4.25Å; Y448-L453 HydrophobicContact CE1-CB 4.16Å; Y448-L453 HydrophobicContact CE1-CD1 4.21Å; Y448-L453 HydrophobicContact CE2-CD1 3.84Å; Y448-H541 AromaticContact CE2-NE2 3.69Å; Y448-H541 AromaticContact CZ-NE2 3.7Å; Y448-H541 PolarHBondContact OH-CD2 2.93Å; Y448-H541 PolarHBondContact OH-NE2 3.32Å
449	C	97.4	Very high	97.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	104.3	164.5	-170.5	0	0	0	0	107.7	R103 S451 Q452 H454 C493	R103-C449 PolarHBondContact NH1-SG 3.44Å; C449-S451 PolarHBondContact O-N 3.14Å; C449-Q452 PolarHBondContact N-O 2.88Å; C449-Q452 PolarHBondContact O-N 3.27Å; C449-Q452 VanDerWaalsContact O-N 3.08Å; C449-H454 WeakPolarHBondContact CB-CE1 3.47Å; C449-H454 WeakPolarHBondContact CB-ND1 3.23Å; C449-H454 WeakPolarHBondContact CB-NE2 3.24Å; C449-H454 PolarHBondContact SG-CE1 3.28Å; C449-C493 VanDerWaalsContact CA-SG 3.58Å; C449-C493 HydrophobicContact CB-CB 3.64Å; C449-C493 WeakPolarHBondContact CB-SG 3.29Å; C449-C493 WeakPolarHBondContact O-CB 3Å; C449-C493 PolarHBondContact O-SG 2.77Å; C449-C493 WeakPolarHBondContact SG-CA 3.29Å; C449-C493 WeakPolarHBondContact SG-CB 3.04Å; C449-C493 CovalentContact SG-SG 2.03Å; C449-C493 PolarHBondContact SG-SG 3.06Å
450	G	95.1	Very high	97.1	Very high	17 Å²	17	20.6 Å²	20.6	18%	0.175	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-130.3	-167	0	0	0	0	0	110.2	V97 S98 Q452	V97-G450 WeakPolarHBondContact CG1-O 3.19Å; S98-G450 CarbonylContact O-C 3.5Å; S98-G450 WeakPolarHBondContact O-CA 3.47Å; G450-Q452 VanDerWaalsContact C-N 3.33Å
451	S	95.7	Very high	96.8	Very high	15 Å²	15	26 Å²	26	11%	0.105	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.3	174.7	62	0	0	0	0	114.3	S98 S99 C449	S98-S451 PolarHBondContact O-N 3.44Å; S98-S451 PolarHBondContact O-OG 2.92Å; S99-S451 WeakPolarHBondContact CA-OG 3.42Å; S99-S451 PolarHBondContact OG-OG 3.19Å; C449-S451 PolarHBondContact O-N 3.14Å
452	Q	96.6	Very high	96.3	Very high	74 Å²	74	24.5 Å²	24.5	35%	0.346	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.2	-174.6	-56.6	-59.5	-50.2	0	0	111	Y448 C449 G450 F494	Y448-Q452 CarbonylContact C-O 3.54Å; Y448-Q452 WeakPolarHBondContact CA-O 3.45Å; C449-Q452 PolarHBondContact N-O 2.88Å; C449-Q452 PolarHBondContact O-N 3.27Å; C449-Q452 VanDerWaalsContact O-N 3.08Å; G450-Q452 VanDerWaalsContact C-N 3.33Å; Q452-F494 HydrophobicContact CG-CB 4.38Å
453	L	97.8	Very high	95.6	Very high	15 Å²	15	31 Å²	31	8%	0.079	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.4	170.3	-174.8	97.3	0	0	0	109.5	F446 Y448 V456 Y472 L538	F446-L453 HydrophobicContact CB-CD1 3.91Å; F446-L453 HydrophobicContact CD1-CD1 4.27Å; Y448-L453 HydrophobicContact CD1-CB 4.4Å; Y448-L453 HydrophobicContact CD2-CD1 4.25Å; Y448-L453 HydrophobicContact CE1-CB 4.16Å; Y448-L453 HydrophobicContact CE1-CD1 4.21Å; Y448-L453 HydrophobicContact CE2-CD1 3.84Å; L453-V456 HydrophobicContact CD1-CG2 4.39Å; L453-V456 HydrophobicContact CD2-CG2 3.82Å; L453-V456 HydrophobicContact CG-CG2 4.48Å; L453-Y472 HydrophobicContact CD2-CD2 4.09Å; L453-Y472 HydrophobicContact CD2-CE2 4.37Å; L453-L538 HydrophobicContact CD1-CD1 4.08Å; L453-L538 HydrophobicContact CD2-CD1 3.31Å; L453-L538 HydrophobicContact CD2-CD2 3.4Å; L453-L538 VanDerWaalsContact CD2-CD2 3.4Å; L453-L538 HydrophobicContact CD2-CG 3.98Å; L453-L538 HydrophobicContact CG-CD1 4.26Å
454	H	98.4	Very high	95.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-45.3	179.8	-83.8	-150.5	0	0	0	112.4	H447 C449 Y472 V473 C493	H447-H454 PolarHBondContact O-N 2.71Å; C449-H454 WeakPolarHBondContact CB-CE1 3.47Å; C449-H454 WeakPolarHBondContact CB-ND1 3.23Å; C449-H454 WeakPolarHBondContact CB-NE2 3.24Å; C449-H454 PolarHBondContact SG-CE1 3.28Å; H454-Y472 PolarHBondContact O-N 2.95Å; H454-V473 PolarHBondContact O-N 3.06Å; H454-V473 VanDerWaalsContact O-N 3.16Å; H454-C493 PolarHBondContact NE2-O 3.07Å
455	A	98.8	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.8	-178.2	0	0	0	0	0	112.4	H447 K469 A470	H447-A455 WeakPolarHBondContact CA-O 3.33Å; H447-A455 HydrophobicContact CB-CB 4.11Å; H447-A455 WeakPolarHBondContact CB-O 3.37Å; H447-A455 PolarHBondContact N-O 3.25Å; H447-A455 PolarHBondContact O-N 3.05Å; A455-K469 HydrophobicContact CB-CG 4.4Å; A455-A470 CarbonylContact C-O 3.57Å; A455-A470 WeakPolarHBondContact CA-O 3.46Å; A455-A470 WeakPolarHBondContact CB-O 3.4Å
456	V	98.8	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.8	171.3	-176.7	0	0	0	0	108.1	F444 L445 F446 L453 K469 A470 Y472 V534 L538	F444-V456 HydrophobicContact CD1-CG1 4.27Å; L445-V456 WeakPolarHBondContact O-CA 3.46Å; F446-V456 HydrophobicContact CD1-CB 4.5Å; F446-V456 HydrophobicContact CD1-CG1 3.93Å; F446-V456 HydrophobicContact CD1-CG2 3.89Å; F446-V456 HydrophobicContact CE1-CG1 3.84Å; F446-V456 HydrophobicContact CE1-CG2 4.31Å; L453-V456 HydrophobicContact CD1-CG2 4.39Å; L453-V456 HydrophobicContact CD2-CG2 3.82Å; L453-V456 HydrophobicContact CG-CG2 4.48Å; V456-K469 CarbonylContact O-C 3.43Å; V456-K469 WeakPolarHBondContact O-CA 3.31Å; V456-A470 PolarHBondContact N-O 3.26Å; V456-A470 PolarHBondContact O-N 3.11Å; V456-Y472 HydrophobicContact CG2-CE2 3.98Å; V456-V534 HydrophobicContact CB-CG1 3.56Å; V456-V534 HydrophobicContact CG1-CG1 3.74Å; V456-V534 HydrophobicContact CG2-CG1 4.14Å; V456-L538 HydrophobicContact CG2-CB 4.49Å; V456-L538 HydrophobicContact CG2-CD1 4.43Å
457	R	98.6	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.5	171.3	-178.1	-173.1	-58.9	-163.3	1.2	109.4	Q70 I72 E376 F444 L445 H447 I459 V467 W468	Q70-R457 VanDerWaalsContact OE1-NH1 3.11Å; I72-R457 VanDerWaalsContact CD1-NH2 3.25Å; E376-R457 IonicContact OE1-CZ 3.88Å; E376-R457 IonicContact OE1-NH2 3.84Å; E376-R457 PolarHBondContact OE1-NH2 3.47Å; E376-R457 IonicContact OE2-CZ 3.94Å; E376-R457 IonicContact OE2-NH2 2.77Å; E376-R457 PolarHBondContact OE2-NH2 2.94Å; F444-R457 VanDerWaalsContact CA-O 3.3Å; F444-R457 WeakPolarHBondContact CA-O 3.18Å; L445-R457 HydrophobicContact CB-CB 4.25Å; L445-R457 PolarHBondContact N-O 3.38Å; L445-R457 PolarHBondContact O-N 2.9Å; H447-R457 VanDerWaalsContact NE2-CB 3.34Å; H447-R457 WeakPolarHBondContact NE2-CB 3.43Å; R457-I459 HydrophobicContact CG-CD1 3.9Å; R457-I459 HydrophobicContact CG-CG1 4.42Å; R457-V467 HydrophobicContact CG-CG1 3.88Å; R457-W468 CarbonylContact C-O 3.55Å; R457-W468 VanDerWaalsContact CA-O 3.24Å; R457-W468 WeakPolarHBondContact CA-O 3.15Å; R457-W468 WeakPolarHBondContact CG-O 3.32Å
458	W	98.4	Very high	94.4	Very high	18 Å²	18	32.2 Å²	32.2	7%	0.068	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.5	173.9	176	44.2	0	0	0	110.1	E443 F444 P460 W468 F529 V530 K533 V534	E443-W458 CarbonylContact O-C 3.57Å; E443-W458 WeakPolarHBondContact O-CA 3.21Å; F444-W458 HydrophobicContact CD1-CB 3.84Å; F444-W458 AromaticContact CD1-CD1 3.7Å; F444-W458 HydrophobicContact CD1-CG 4.02Å; F444-W458 HydrophobicContact CE1-CB 3.61Å; F444-W458 AromaticContact CE1-CD1 3.15Å; F444-W458 HydrophobicContact CE1-CD2 4.3Å; F444-W458 AromaticContact CE1-CG 3.42Å; F444-W458 HydrophobicContact CE1-CG 3.42Å; F444-W458 VanDerWaalsContact CE1-CG 3.42Å; F444-W458 AromaticContact CE1-NE1 3.92Å; F444-W458 AromaticContact CE2-CD1 3.75Å; F444-W458 AromaticContact CE2-NE1 3.99Å; F444-W458 HydrophobicContact CZ-CB 4.49Å; F444-W458 AromaticContact CZ-CD1 3.17Å; F444-W458 HydrophobicContact CZ-CD2 4.44Å; F444-W458 AromaticContact CZ-CG 3.83Å; F444-W458 HydrophobicContact CZ-CG 3.83Å; F444-W458 AromaticContact CZ-NE1 3.49Å; W458-P460 HydrophobicContact CD2-CG 4.11Å; W458-P460 HydrophobicContact CE3-CG 4.23Å; W458-P460 HydrophobicContact CH2-CB 4.42Å; W458-P460 HydrophobicContact CH2-CG 3.9Å; W458-P460 HydrophobicContact CZ2-CB 4Å; W458-P460 HydrophobicContact CZ2-CG 3.76Å; W458-P460 HydrophobicContact CZ3-CG 4.15Å; W458-W468 HydrophobicContact CB-CB 4.38Å; W458-W468 HydrophobicContact CE3-CB 4.32Å; W458-W468 AromaticContact CE3-CD1 3.58Å; W458-W468 HydrophobicContact CE3-CG 4.14Å; W458-W468 AromaticContact CZ3-CD1 3.88Å; W458-W468 PolarHBondContact N-O 2.73Å; W458-W468 PolarHBondContact O-N 3.4Å; W458-F529 HydrophobicContact CH2-CD1 4.44Å; W458-F529 AromaticContact CH2-CE1 3.73Å; W458-F529 HydrophobicContact CH2-CE1 3.73Å; W458-F529 HydrophobicContact CH2-CZ 4.4Å; W458-F529 HydrophobicContact CZ3-CE1 4.27Å; W458-V530 HydrophobicContact CE3-CG1 4.04Å; W458-V530 HydrophobicContact CE3-CG2 4.42Å; W458-V530 HydrophobicContact CZ3-CB 4.3Å; W458-V530 HydrophobicContact CZ3-CG1 4.3Å; W458-V530 HydrophobicContact CZ3-CG2 3.9Å; W458-K533 HydrophobicContact CD2-CG 4.05Å; W458-K533 HydrophobicContact CE3-CB 4.43Å; W458-K533 HydrophobicContact CE3-CG 4.19Å; W458-K533 HydrophobicContact CH2-CB 4.36Å; W458-K533 HydrophobicContact CH2-CG 3.86Å; W458-K533 HydrophobicContact CZ2-CD 4.36Å; W458-K533 HydrophobicContact CZ2-CG 3.68Å; W458-K533 HydrophobicContact CZ3-CB 4.23Å; W458-K533 HydrophobicContact CZ3-CG 4.09Å; W458-V534 HydrophobicContact CB-CG2 3.87Å
459	I	96.7	Very high	94.4	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.051	18%	0.182	C	C	.	.			trans	-117.4	98.1	177.6	-55.3	98.5	0	0	0	107.3	P400 H442 E443 R457 K461 V467	P400-I459 HydrophobicContact CB-CD1 4.07Å; P400-I459 HydrophobicContact CB-CG1 4.34Å; P400-I459 HydrophobicContact CG-CD1 3.99Å; P400-I459 HydrophobicContact CG-CG1 3.74Å; H442-I459 WeakPolarHBondContact O-CD1 3.5Å; E443-I459 WeakPolarHBondContact CG-O 3.33Å; E443-I459 PolarHBondContact O-N 3.16Å; R457-I459 HydrophobicContact CG-CD1 3.9Å; R457-I459 HydrophobicContact CG-CG1 4.42Å; I459-K461 PolarHBondContact O-N 2.01Å; I459-V467 HydrophobicContact CG1-CG1 4.33Å
460	P	94.2	Very high	94.5	Very high	11 Å²	11	31.3 Å²	31.3	7%	0.071	18%	0.182	C	C	.	.			trans	-56.6	134.2	172.4	-20.1	32.1	0	0	0	109.8	W458 D462 A466	W458-P460 HydrophobicContact CD2-CG 4.11Å; W458-P460 HydrophobicContact CE3-CG 4.23Å; W458-P460 HydrophobicContact CH2-CB 4.42Å; W458-P460 HydrophobicContact CH2-CG 3.9Å; W458-P460 HydrophobicContact CZ2-CB 4Å; W458-P460 HydrophobicContact CZ2-CG 3.76Å; W458-P460 HydrophobicContact CZ3-CG 4.15Å; P460-D462 PolarHBondContact O-N 3.19Å; P460-A466 WeakPolarHBondContact CD-O 3.14Å
461	K	86.5	Confident	94.7	Very high	120 Å²	120	30.5 Å²	30.5	52%	0.522	17%	0.173	S	C	.	.	S	Bend	trans	-80.7	31.3	175.1	-66.7	-175	174.4	171	0	112.6	I459	I459-K461 PolarHBondContact O-N 2.01Å
462	D	84.8	Confident	94.8	Very high	80 Å²	80	32.1 Å²	32.1	43%	0.428	18%	0.177	S	C	.	.	S	Bend	trans	-98.7	170.3	172.8	62.1	23.6	0	0	0	110.1	P460 S464	P460-D462 PolarHBondContact O-N 3.19Å; D462-S464 PolarHBondContact O-N 3.05Å; D462-S464 VanDerWaalsContact O-N 3.14Å; D462-S464 WeakPolarHBondContact OD1-CB 3.47Å; D462-S464 PolarHBondContact OD1-N 3.19Å; D462-S464 PolarHBondContact OD1-OG 2.74Å
463	D	81.6	Confident	94.9	Very high	144 Å²	144	29 Å²	29	77%	0.77	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	14.8	177.6	-67.2	-48.8	0	0	0	112.5	G465	D463-G465 VanDerWaalsContact C-N 3.31Å; D463-G465 PolarHBondContact O-N 3.46Å
464	S	86	Confident	94.9	Very high	71 Å²	71	28.9 Å²	28.9	50%	0.497	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.1	-179.8	74.3	0	0	0	0	112.7	D462 A466	D462-S464 PolarHBondContact O-N 3.05Å; D462-S464 VanDerWaalsContact O-N 3.14Å; D462-S464 WeakPolarHBondContact OD1-CB 3.47Å; D462-S464 PolarHBondContact OD1-N 3.19Å; D462-S464 PolarHBondContact OD1-OG 2.74Å; S464-A466 PolarHBondContact O-N 3.06Å; S464-A466 WeakPolarHBondContact OG-CB 3.31Å; S464-A466 PolarHBondContact OG-N 3.06Å; S464-A466 VanDerWaalsContact OG-N 3.13Å
465	G	88.1	Confident	94.8	Very high	49 Å²	49	29.2 Å²	29.2	51%	0.505	17%	0.166	S	C	.	.			trans	67	10.1	-172.6	0	0	0	0	0	114.2	D463 S510	D463-G465 VanDerWaalsContact C-N 3.31Å; D463-G465 PolarHBondContact O-N 3.46Å; G465-S510 VanDerWaalsContact O-CB 3.32Å; G465-S510 WeakPolarHBondContact O-CB 3.41Å
466	A	94.5	Very high	94.7	Very high	11 Å²	11	32.3 Å²	32.3	9%	0.091	18%	0.184	C	C	.	.			trans	-66.6	143.7	178.6	0	0	0	0	0	111	P460 S464 W468	P460-A466 WeakPolarHBondContact CD-O 3.14Å; S464-A466 PolarHBondContact O-N 3.06Å; S464-A466 WeakPolarHBondContact OG-CB 3.31Å; S464-A466 PolarHBondContact OG-N 3.06Å; S464-A466 VanDerWaalsContact OG-N 3.13Å; A466-W468 HydrophobicContact CB-CZ2 4.21Å
467	V	97.4	Very high	94.6	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.055	19%	0.19	C	C	.	.			trans	-132.4	94.8	176	-178.5	0	0	0	0	108	R457 I459 D508 L509	R457-V467 HydrophobicContact CG-CG1 3.88Å; I459-V467 HydrophobicContact CG1-CG1 4.33Å; V467-D508 PolarHBondContact N-OD1 2.89Å; V467-D508 CarbonylContact O-C 3.54Å; V467-L509 HydrophobicContact CB-CB 4.08Å; V467-L509 HydrophobicContact CG1-CB 4.04Å; V467-L509 HydrophobicContact CG1-CD1 4Å; V467-L509 HydrophobicContact CG1-CG 4.37Å; V467-L509 PolarHBondContact O-N 3.3Å
468	W	98.5	Very high	94.4	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	142.7	-176.3	-59.7	104.6	0	0	0	111	R457 W458 A466 L506 F507 D508 L519 E524 V530	R457-W468 CarbonylContact C-O 3.55Å; R457-W468 VanDerWaalsContact CA-O 3.24Å; R457-W468 WeakPolarHBondContact CA-O 3.15Å; R457-W468 WeakPolarHBondContact CG-O 3.32Å; W458-W468 HydrophobicContact CB-CB 4.38Å; W458-W468 HydrophobicContact CE3-CB 4.32Å; W458-W468 AromaticContact CE3-CD1 3.58Å; W458-W468 HydrophobicContact CE3-CG 4.14Å; W458-W468 AromaticContact CZ3-CD1 3.88Å; W458-W468 PolarHBondContact N-O 2.73Å; W458-W468 PolarHBondContact O-N 3.4Å; A466-W468 HydrophobicContact CB-CZ2 4.21Å; W468-L506 HydrophobicContact CB-CD1 4.46Å; W468-L506 HydrophobicContact CE3-CD1 4.16Å; W468-L506 HydrophobicContact CE3-CD2 4.19Å; W468-L506 HydrophobicContact CE3-CG 4.19Å; W468-L506 HydrophobicContact CZ3-CD2 4.32Å; W468-F507 CarbonylContact C-O 3.44Å; W468-F507 WeakPolarHBondContact CA-O 3.23Å; W468-D508 HydrophobicContact CE3-CB 3.92Å; W468-D508 HydrophobicContact CH2-CB 4.19Å; W468-D508 HydrophobicContact CZ3-CB 3.68Å; W468-L519 HydrophobicContact CE3-CD1 4.4Å; W468-L519 HydrophobicContact CH2-CD1 4.48Å; W468-L519 HydrophobicContact CZ3-CD1 3.59Å; W468-E524 HydrophobicContact CH2-CG 3.91Å; W468-E524 HydrophobicContact CZ3-CG 4.07Å; W468-V530 HydrophobicContact CB-CG1 3.76Å; W468-V530 HydrophobicContact CD2-CG1 3.99Å; W468-V530 HydrophobicContact CD2-CG2 3.83Å; W468-V530 HydrophobicContact CE3-CG1 4.25Å; W468-V530 HydrophobicContact CE3-CG2 4.25Å; W468-V530 HydrophobicContact CG-CG1 3.75Å; W468-V530 HydrophobicContact CG-CG2 4.13Å; W468-V530 HydrophobicContact CZ2-CG2 4.25Å
469	K	98.8	Very high	94.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	120.2	173.7	-170	168.1	170.8	-158.2	0	111.2	G374 E376 A455 V456 F507 L509 E515	G374-K469 WeakPolarHBondContact O-CE 3.34Å; G374-K469 PolarHBondContact O-NZ 3.3Å; E376-K469 IonicContact OE1-NZ 3.85Å; E376-K469 PolarHBondContact OE1-NZ 2.97Å; A455-K469 HydrophobicContact CB-CG 4.4Å; V456-K469 CarbonylContact O-C 3.43Å; V456-K469 WeakPolarHBondContact O-CA 3.31Å; K469-F507 PolarHBondContact N-O 3.42Å; K469-F507 PolarHBondContact O-N 3.24Å; K469-L509 HydrophobicContact CB-CD1 4.17Å; K469-L509 HydrophobicContact CB-CD2 4.45Å; K469-L509 HydrophobicContact CB-CG 4.14Å; K469-L509 HydrophobicContact CD-CD1 3.83Å; K469-L509 HydrophobicContact CD-CD2 4.32Å; K469-L509 HydrophobicContact CD-CG 4.4Å; K469-E515 WeakPolarHBondContact CD-OE1 3.49Å; K469-E515 VanDerWaalsContact CE-OE1 3.31Å; K469-E515 WeakPolarHBondContact CE-OE1 3Å; K469-E515 IonicContact NZ-OE1 3.51Å; K469-E515 PolarHBondContact NZ-OE1 2.94Å; K469-E515 IonicContact NZ-OE2 2.94Å; K469-E515 PolarHBondContact NZ-OE2 3.47Å
470	A	98.8	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123	178.1	0	0	0	0	0	110.3	A455 V456 P504 L505 L506 V534	A455-A470 CarbonylContact C-O 3.57Å; A455-A470 WeakPolarHBondContact CA-O 3.46Å; A455-A470 WeakPolarHBondContact CB-O 3.4Å; V456-A470 PolarHBondContact N-O 3.26Å; V456-A470 PolarHBondContact O-N 3.11Å; A470-P504 HydrophobicContact CB-CB 4.25Å; A470-P504 HydrophobicContact CB-CG 4.19Å; A470-L505 CarbonylContact C-O 3.56Å; A470-L505 VanDerWaalsContact CA-O 3.27Å; A470-L505 WeakPolarHBondContact CA-O 3.36Å; A470-L506 HydrophobicContact CB-CD1 4.45Å; A470-V534 HydrophobicContact CB-CG1 3.91Å
471	H	98.8	Very high	93.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.3	176.4	-71.7	-111.4	0	0	0	110.8	G374 W375 T474 P504 L505 F507 E515	G374-H471 VanDerWaalsContact C-CE1 3.46Å; G374-H471 PolarHBondContact O-CE1 3.34Å; W375-H471 AromaticContact CD2-CE1 3.77Å; W375-H471 AromaticContact CE3-CE1 3.38Å; W375-H471 AromaticContact CE3-NE2 3.82Å; W375-H471 AromaticContact CZ3-CE1 3.58Å; W375-H471 AromaticContact CZ3-NE2 3.73Å; H471-T474 HydrophobicContact CB-CG2 3.92Å; H471-P504 CarbonylContact O-C 3.47Å; H471-P504 VanDerWaalsContact O-CA 3.26Å; H471-P504 WeakPolarHBondContact O-CA 3.09Å; H471-P504 WeakPolarHBondContact O-CB 3.45Å; H471-L505 HydrophobicContact CB-CB 4.26Å; H471-L505 PolarHBondContact N-O 3.17Å; H471-L505 PolarHBondContact O-N 2.62Å; H471-F507 AromaticContact CD2-CD2 3.64Å; H471-F507 AromaticContact CD2-CE2 3.62Å; H471-E515 IonicContact CD2-OE1 2.9Å; H471-E515 IonicContact CE1-OE1 2.81Å; H471-E515 PolarHBondContact CE1-OE1 2.98Å; H471-E515 IonicContact NE2-OE1 3.44Å; H471-E515 PolarHBondContact NE2-OE1 3.14Å
472	Y	98.6	Very high	93.6	Very high	48 Å²	48	47.9 Å²	47.9	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-30.2	172.4	-68.3	-86.1	0	0	0	112	L453 H454 V456 H501 P504 V534 L538	L453-Y472 HydrophobicContact CD2-CD2 4.09Å; L453-Y472 HydrophobicContact CD2-CE2 4.37Å; H454-Y472 PolarHBondContact O-N 2.95Å; V456-Y472 HydrophobicContact CG2-CE2 3.98Å; Y472-H501 PolarHBondContact O-N 2.63Å; Y472-P504 HydrophobicContact CD1-CB 3.87Å; Y472-P504 HydrophobicContact CD1-CG 4.11Å; Y472-P504 HydrophobicContact CD2-CB 4.42Å; Y472-P504 HydrophobicContact CE1-CB 4Å; Y472-P504 HydrophobicContact CE1-CG 3.72Å; Y472-P504 HydrophobicContact CG-CB 4.1Å; Y472-V534 HydrophobicContact CE2-CG1 4.38Å; Y472-L538 HydrophobicContact CD2-CD2 4.44Å; Y472-L538 HydrophobicContact CE1-CD2 4.45Å; Y472-L538 HydrophobicContact CE2-CD2 3.81Å
473	V	98.4	Very high	93.9	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.9	-178.3	-171.6	0	0	0	0	109	H454 V498 A499 Y500	H454-V473 PolarHBondContact O-N 3.06Å; H454-V473 VanDerWaalsContact O-N 3.16Å; V473-V498 HydrophobicContact CG1-CB 3.7Å; V473-V498 HydrophobicContact CG1-CG1 4.26Å; V473-V498 HydrophobicContact CG1-CG2 3.66Å; V473-A499 WeakPolarHBondContact CA-O 3.39Å; V473-Y500 HydrophobicContact CG1-CD1 4.42Å; V473-Y500 HydrophobicContact CG1-CE1 4.29Å; V473-Y500 HydrophobicContact CG2-CD1 3.68Å; V473-Y500 HydrophobicContact CG2-CE1 3.81Å
474	T	97.9	Very high	94.5	Very high	13 Å²	13	38 Å²	38	8%	0.08	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.1	173.1	58.8	0	0	0	0	110.8	W375 H471 V498 A499 H501 L505	W375-T474 HydrophobicContact CH2-CG2 4.09Å; W375-T474 HydrophobicContact CZ2-CG2 3.58Å; H471-T474 HydrophobicContact CB-CG2 3.92Å; T474-V498 CarbonylContact O-C 3.55Å; T474-V498 WeakPolarHBondContact O-CA 3.19Å; T474-A499 PolarHBondContact N-O 3.12Å; T474-A499 PolarHBondContact O-N 3.12Å; T474-H501 PolarHBondContact OG1-NE2 3.03Å; T474-L505 HydrophobicContact CG2-CD1 4.25Å
475	P	96.8	Very high	94.9	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	146.9	172.3	28.3	-35.9	0	0	0	111.7	M372 F477 C491	M372-P475 HydrophobicContact CG-CG 4.42Å; P475-F477 HydrophobicContact CB-CE1 4.43Å; P475-F477 HydrophobicContact CG-CD1 4.3Å; P475-F477 HydrophobicContact CG-CE1 3.69Å; P475-F477 HydrophobicContact CG-CZ 4.41Å; P475-F477 PolarHBondContact O-N 2.75Å; P475-C491 HydrophobicContact CB-CB 3.68Å; P475-C491 HydrophobicContact CG-CB 4.28Å
476	V	96.5	Very high	95.2	Very high	64 Å²	64	36 Å²	36	39%	0.388	20%	0.199	S	C	.	.			trans	-85.1	108.1	170.4	179.1	0	0	0	0	108.3	Q497	V476-Q497 PolarHBondContact N-O 3.35Å
477	F	96.3	Very high	95	Very high	27 Å²	27	40.8 Å²	40.8	12%	0.118	23%	0.227	C	C	.	.			trans	-67.1	145.3	-179.3	-63.9	-32.9	0	0	0	112.9	K367 M372 W375 P475 P479 G484	K367-F477 HydrophobicContact CG-CE2 4.4Å; K367-F477 HydrophobicContact CG-CZ 4.48Å; M372-F477 HydrophobicContact CE-CE1 4.41Å; M372-F477 HydrophobicContact SD-CE1 3.64Å; M372-F477 HydrophobicContact SD-CZ 4.19Å; W375-F477 AromaticContact CD1-CZ 3.72Å; W375-F477 AromaticContact NE1-CE1 3.99Å; W375-F477 AromaticContact NE1-CZ 3.4Å; P475-F477 HydrophobicContact CB-CE1 4.43Å; P475-F477 HydrophobicContact CG-CD1 4.3Å; P475-F477 HydrophobicContact CG-CE1 3.69Å; P475-F477 HydrophobicContact CG-CZ 4.41Å; P475-F477 PolarHBondContact O-N 2.75Å; F477-P479 CarbonylContact C-O 3.45Å; F477-P479 CarbonylContact O-C 3.53Å; F477-G484 WeakPolarHBondContact CA-O 3.27Å; F477-G484 WeakPolarHBondContact CB-O 2.99Å
478	Q	94.3	Very high	94.7	Very high	38 Å²	38	42.1 Å²	42.1	18%	0.178	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-137.3	108.5	-173	-68.9	162.2	20	0	0	109.1	G484 Y486 V487	Q478-G484 PolarHBondContact N-O 3.46Å; Q478-Y486 WeakPolarHBondContact O-CB 3.36Å; Q478-Y486 WeakPolarHBondContact O-CD2 3.23Å; Q478-Y486 PolarHBondContact O-N 2.8Å; Q478-V487 HydrophobicContact CB-CB 4.15Å; Q478-V487 HydrophobicContact CB-CG2 3.92Å
479	P	93.7	Very high	94.3	Very high	79 Å²	79	44.9 Å²	44.9	51%	0.513	26%	0.257	S	S	.	.	S	Bend	cis	-68.6	165.8	-3	27.9	-30.7	0	0	0	112.6	F477 A482	F477-P479 CarbonylContact C-O 3.45Å; F477-P479 CarbonylContact O-C 3.53Å; P479-A482 HydrophobicContact CG-CB 3.94Å; P479-A482 WeakPolarHBondContact O-CB 3.35Å; P479-A482 PolarHBondContact O-N 2.83Å
480	P	91.4	Very high	94.1	Very high	110 Å²	110	47 Å²	47	71%	0.714	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	145.4	174	-26.6	35.3	0	0	0	111.5	A482	P480-A482 PolarHBondContact O-N 2.84Å
481	E	85.2	Confident	93.9	Very high	195 Å²	195	47 Å²	47	91%	0.911	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-5.5	-178.8	-53.5	180	178.3	0	0	116.5	G483	E481-G483 PolarHBondContact O-N 2.66Å; E481-G483 VanDerWaalsContact O-N 3.07Å
482	A	88.5	Confident	93.8	Very high	37 Å²	37	50.7 Å²	50.7	31%	0.306	28%	0.282	S	S	.	.	S	Bend	trans	-70.3	-6.9	-177	0	0	0	0	0	115.1	P479 P480 G484 Y486	P479-A482 HydrophobicContact CG-CB 3.94Å; P479-A482 WeakPolarHBondContact O-CB 3.35Å; P479-A482 PolarHBondContact O-N 2.83Å; P480-A482 PolarHBondContact O-N 2.84Å; A482-G484 PolarHBondContact O-N 3.34Å; A482-Y486 HydrophobicContact CB-CD2 4Å; A482-Y486 HydrophobicContact CB-CE2 3.7Å
483	G	90.9	Very high	93.6	Very high	17 Å²	17	48.6 Å²	48.6	18%	0.175	27%	0.274	C	S	.	.	S	Bend	trans	71.7	6.1	-178.1	0	0	0	0	0	114.9	G368 E481	G368-G483 WeakPolarHBondContact CA-O 3.47Å; E481-G483 PolarHBondContact O-N 2.66Å; E481-G483 VanDerWaalsContact O-N 3.07Å
484	G	94.6	Very high	93.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-162	-179.2	179.8	0	0	0	0	0	114.2	M372 F477 Q478 A482	M372-G484 VanDerWaalsContact CE-CA 3.47Å; F477-G484 WeakPolarHBondContact CA-O 3.27Å; F477-G484 WeakPolarHBondContact CB-O 2.99Å; Q478-G484 PolarHBondContact N-O 3.46Å; A482-G484 PolarHBondContact O-N 3.34Å
485	C	95.7	Very high	93.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-113.6	66.5	-173.5	-60.1	0	0	0	0	112.1	E351 V487 T488 S489 C491	E351-C485 PolarHBondContact OE1-N 2.8Å; C485-V487 VanDerWaalsContact C-N 3.25Å; C485-V487 PolarHBondContact O-N 3.38Å; C485-T488 PolarHBondContact O-N 2.76Å; C485-S489 PolarHBondContact O-N 3.25Å; C485-C491 HydrophobicContact CB-CB 3.92Å; C485-C491 WeakPolarHBondContact CB-SG 3.25Å; C485-C491 WeakPolarHBondContact SG-CA 3.49Å; C485-C491 WeakPolarHBondContact SG-CB 3.37Å; C485-C491 CovalentContact SG-SG 2.03Å; C485-C491 PolarHBondContact SG-SG 3.34Å
486	Y	93.9	Very high	93.2	Very high	75 Å²	75	61.4 Å²	61.4	29%	0.294	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.4	-172.6	-64.4	-89.8	0	0	0	113.9	L350 E351 Q478 A482	L350-Y486 WeakPolarHBondContact O-CE1 3.2Å; E351-Y486 HydrophobicContact CB-CD1 4.3Å; E351-Y486 HydrophobicContact CG-CD1 4.27Å; E351-Y486 HydrophobicContact CG-CG 4.36Å; Q478-Y486 WeakPolarHBondContact O-CB 3.36Å; Q478-Y486 WeakPolarHBondContact O-CD2 3.23Å; Q478-Y486 PolarHBondContact O-N 2.8Å; A482-Y486 HydrophobicContact CB-CD2 4Å; A482-Y486 HydrophobicContact CB-CE2 3.7Å
487	V	90.8	Very high	93.1	Very high	113 Å²	113	61.2 Å²	61.2	69%	0.685	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.4	178.5	176.5	0	0	0	0	112	Q478 C485	Q478-V487 HydrophobicContact CB-CB 4.15Å; Q478-V487 HydrophobicContact CB-CG2 3.92Å; C485-V487 VanDerWaalsContact C-N 3.25Å; C485-V487 PolarHBondContact O-N 3.38Å
488	T	90.1	Very high	93.1	Very high	36 Å²	36	60.4 Å²	60.4	22%	0.221	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.7	177.9	57.1	0	0	0	0	113.4	C485 L490	C485-T488 PolarHBondContact O-N 2.76Å; T488-L490 PolarHBondContact O-N 2.68Å; T488-L490 PolarHBondContact OG1-O 3.34Å
489	S	90.5	Very high	93.3	Very high	72 Å²	72	60.2 Å²	60.2	50%	0.503	34%	0.338	S	S	.	.	S	Bend	trans	62.2	-12.8	-174	-44.6	0	0	0	0	115.6	H349 E351 C485	H349-S489 PolarHBondContact NE2-O 3.34Å; H349-S489 VanDerWaalsContact NE2-O 3.07Å; E351-S489 WeakPolarHBondContact CB-O 2.97Å; C485-S489 PolarHBondContact O-N 3.25Å
490	L	93.4	Very high	93.5	Very high	45 Å²	45	62.9 Å²	62.9	24%	0.236	34%	0.339	C	S	.	.	S	Bend	trans	-156.9	133.2	177.9	-165.6	69.4	0	0	0	109.1	L77 K370 T488	L77-L490 HydrophobicContact CD2-CD1 4.33Å; L77-L490 HydrophobicContact CD2-CD2 4.26Å; K370-L490 HydrophobicContact CG-CD1 4.24Å; T488-L490 PolarHBondContact O-N 2.68Å; T488-L490 PolarHBondContact OG1-O 3.34Å
491	C	95.9	Very high	93.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.			trans	-66.8	144.1	179.4	-68.7	0	0	0	0	113	R103 M372 P475 C485	R103-C491 PolarHBondContact NH2-O 3.15Å; M372-C491 HydrophobicContact CG-CB 3.97Å; P475-C491 HydrophobicContact CB-CB 3.68Å; P475-C491 HydrophobicContact CG-CB 4.28Å; C485-C491 HydrophobicContact CB-CB 3.92Å; C485-C491 WeakPolarHBondContact CB-SG 3.25Å; C485-C491 WeakPolarHBondContact SG-CA 3.49Å; C485-C491 WeakPolarHBondContact SG-CB 3.37Å; C485-C491 CovalentContact SG-SG 2.03Å; C485-C491 PolarHBondContact SG-SG 3.34Å
492	R	95.4	Very high	94.3	Very high	77 Å²	77	58 Å²	58	29%	0.291	31%	0.311	S	S	.	.			trans	-78.1	162.1	174.1	-57.7	-56.3	-167.6	-176.9	-0.3	112.1	N101 Q497 V498	N101-R492 PolarHBondContact ND2-NH1 2.74Å; N101-R492 VanDerWaalsContact ND2-NH1 3.17Å; N101-R492 VanDerWaalsContact OD1-CD 3.23Å; N101-R492 WeakPolarHBondContact OD1-CD 3.38Å; N101-R492 PolarHBondContact OD1-NH1 3.26Å; R492-Q497 HydrophobicContact CB-CB 3.99Å; R492-Q497 HydrophobicContact CG-CB 3.73Å; R492-Q497 HydrophobicContact CG-CG 4.19Å; R492-V498 HydrophobicContact CB-CG1 4.45Å; R492-V498 WeakPolarHBondContact O-CG1 2.94Å
493	C	96.1	Very high	94.7	Very high	4 Å²	4	60 Å²	60	3%	0.027	32%	0.322	C	S	.	.	S	Bend	trans	-101.4	-13.2	175.9	-57.5	0	0	0	0	114.5	R103 C449 H454	R103-C493 WeakPolarHBondContact CD-SG 3.04Å; R103-C493 PolarHBondContact NH1-SG 2.94Å; C449-C493 VanDerWaalsContact CA-SG 3.58Å; C449-C493 HydrophobicContact CB-CB 3.64Å; C449-C493 WeakPolarHBondContact CB-SG 3.29Å; C449-C493 WeakPolarHBondContact O-CB 3Å; C449-C493 PolarHBondContact O-SG 2.77Å; C449-C493 WeakPolarHBondContact SG-CA 3.29Å; C449-C493 WeakPolarHBondContact SG-CB 3.04Å; C449-C493 CovalentContact SG-SG 2.03Å; C449-C493 PolarHBondContact SG-SG 3.06Å; H454-C493 PolarHBondContact NE2-O 3.07Å
494	F	95.2	Very high	95.1	Very high	67 Å²	67	59.6 Å²	59.6	29%	0.294	32%	0.316	S	S	.	.	S	Bend	trans	-156.7	173.2	-172.2	63	-87.9	0	0	0	111.2	S99 Q452	S99-F494 WeakPolarHBondContact O-CE1 3.02Å; S99-F494 WeakPolarHBondContact O-CZ 3.39Å; Q452-F494 HydrophobicContact CG-CB 4.38Å
495	G	94.7	Very high	95.2	Very high	37 Å²	37	62 Å²	62	38%	0.381	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	81.5	-154.7	175.6	0	0	0	0	0	112.8	Q497 V498 Y500	G495-Q497 PolarHBondContact O-N 3.42Å; G495-V498 WeakPolarHBondContact O-CG2 3.41Å; G495-V498 PolarHBondContact O-N 2.87Å; G495-Y500 PolarHBondContact N-OH 2.99Å
496	E	94	Very high	95.4	Very high	195 Å²	195	61.9 Å²	61.9	91%	0.911	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13	-174.3	-61	-179	170	0	0	113.9	V498	E496-V498 VanDerWaalsContact C-N 3.3Å
497	Q	94.3	Very high	95.6	Very high	60 Å²	60	58.5 Å²	58.5	28%	0.28	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-92.7	12	-179.2	-56	-167.9	-68.5	0	0	112.8	V476 R492 G495	V476-Q497 PolarHBondContact N-O 3.35Å; R492-Q497 HydrophobicContact CB-CB 3.99Å; R492-Q497 HydrophobicContact CG-CB 3.73Å; R492-Q497 HydrophobicContact CG-CG 4.19Å; G495-Q497 PolarHBondContact O-N 3.42Å
498	V	97	Very high	96	Very high	10 Å²	10	53.7 Å²	53.7	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.1	172.2	-54.2	0	0	0	0	110.5	V473 T474 R492 G495 E496 Y500	V473-V498 HydrophobicContact CG1-CB 3.7Å; V473-V498 HydrophobicContact CG1-CG1 4.26Å; V473-V498 HydrophobicContact CG1-CG2 3.66Å; T474-V498 CarbonylContact O-C 3.55Å; T474-V498 WeakPolarHBondContact O-CA 3.19Å; R492-V498 HydrophobicContact CB-CG1 4.45Å; R492-V498 WeakPolarHBondContact O-CG1 2.94Å; G495-V498 WeakPolarHBondContact O-CG2 3.41Å; G495-V498 PolarHBondContact O-N 2.87Å; E496-V498 VanDerWaalsContact C-N 3.3Å; V498-Y500 HydrophobicContact CG2-CD2 4.18Å; V498-Y500 HydrophobicContact CG2-CE1 4.42Å; V498-Y500 HydrophobicContact CG2-CE2 3.49Å; V498-Y500 VanDerWaalsContact CG2-CE2 3.49Å
499	A	97.6	Very high	96.3	Very high	34 Å²	34	52.2 Å²	52.2	28%	0.281	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134	169.9	0	0	0	0	0	109.6	V473 T474	V473-A499 WeakPolarHBondContact CA-O 3.39Å; T474-A499 PolarHBondContact N-O 3.12Å; T474-A499 PolarHBondContact O-N 3.12Å
500	Y	98.3	Very high	96.6	Very high	134 Å²	134	51.7 Å²	51.7	53%	0.525	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.7	175.4	-64.8	-90.7	0	0	0	109.6	V473 G495 V498	V473-Y500 HydrophobicContact CG1-CD1 4.42Å; V473-Y500 HydrophobicContact CG1-CE1 4.29Å; V473-Y500 HydrophobicContact CG2-CD1 3.68Å; V473-Y500 HydrophobicContact CG2-CE1 3.81Å; G495-Y500 PolarHBondContact N-OH 2.99Å; V498-Y500 HydrophobicContact CG2-CD2 4.18Å; V498-Y500 HydrophobicContact CG2-CE1 4.42Å; V498-Y500 HydrophobicContact CG2-CE2 3.49Å; V498-Y500 VanDerWaalsContact CG2-CE2 3.49Å
501	H	98.3	Very high	96.7	Very high	41 Å²	41	57.8 Å²	57.8	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.4	-172.2	-56.2	-67.7	0	0	0	111.4	Y472 T474 P503 L505	Y472-H501 PolarHBondContact O-N 2.63Å; T474-H501 PolarHBondContact OG1-NE2 3.03Å; H501-P503 CarbonylContact C-O 3.55Å; H501-L505 HydrophobicContact CB-CG 4.29Å
502	N	96.3	Very high	96.8	Very high	162 Å²	162	59 Å²	59	87%	0.866	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	106.5	173.4	-174	19	0	0	0	110.4
503	P	95.9	Very high	96.9	Very high	80 Å²	80	57.1 Å²	57.1	52%	0.519	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-63.3	159.4	-1.1	28.8	-35.8	0	0	0	112.7	H501	H501-P503 CarbonylContact C-O 3.55Å
504	P	98.3	Very high	96.9	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	152.7	177.7	26.2	-31.1	0	0	0	111.3	A470 H471 Y472 L506 I531	A470-P504 HydrophobicContact CB-CB 4.25Å; A470-P504 HydrophobicContact CB-CG 4.19Å; H471-P504 CarbonylContact O-C 3.47Å; H471-P504 VanDerWaalsContact O-CA 3.26Å; H471-P504 WeakPolarHBondContact O-CA 3.09Å; H471-P504 WeakPolarHBondContact O-CB 3.45Å; Y472-P504 HydrophobicContact CD1-CB 3.87Å; Y472-P504 HydrophobicContact CD1-CG 4.11Å; Y472-P504 HydrophobicContact CD2-CB 4.42Å; Y472-P504 HydrophobicContact CE1-CB 4Å; Y472-P504 HydrophobicContact CE1-CG 3.72Å; Y472-P504 HydrophobicContact CG-CB 4.1Å; P504-L506 PolarHBondContact O-N 3.42Å; P504-I531 HydrophobicContact CG-CD1 3.63Å; P504-I531 HydrophobicContact CG-CG2 4.36Å
505	L	98.6	Very high	97	Very high	50 Å²	50	55.5 Å²	55.5	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.8	175.5	-56.3	176.9	0	0	0	109.5	A470 H471 T474 H501 F507 P518	A470-L505 CarbonylContact C-O 3.56Å; A470-L505 VanDerWaalsContact CA-O 3.27Å; A470-L505 WeakPolarHBondContact CA-O 3.36Å; H471-L505 HydrophobicContact CB-CB 4.26Å; H471-L505 PolarHBondContact N-O 3.17Å; H471-L505 PolarHBondContact O-N 2.62Å; T474-L505 HydrophobicContact CG2-CD1 4.25Å; H501-L505 HydrophobicContact CB-CG 4.29Å; L505-F507 HydrophobicContact CB-CE2 3.85Å; L505-F507 HydrophobicContact CB-CZ 4.4Å; L505-P518 HydrophobicContact CB-CB 4.35Å; L505-P518 HydrophobicContact CD2-CB 4.37Å
506	L	98.8	Very high	97.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138	-178.7	-173.3	60.3	0	0	0	112	W468 A470 P504 P518 L519 H527 V530 I531	W468-L506 HydrophobicContact CB-CD1 4.46Å; W468-L506 HydrophobicContact CE3-CD1 4.16Å; W468-L506 HydrophobicContact CE3-CD2 4.19Å; W468-L506 HydrophobicContact CE3-CG 4.19Å; W468-L506 HydrophobicContact CZ3-CD2 4.32Å; A470-L506 HydrophobicContact CB-CD1 4.45Å; P504-L506 PolarHBondContact O-N 3.42Å; L506-P518 CarbonylContact O-C 3.32Å; L506-P518 WeakPolarHBondContact O-CA 3.4Å; L506-L519 HydrophobicContact CB-CB 4.36Å; L506-L519 PolarHBondContact O-N 3.38Å; L506-H527 HydrophobicContact CD2-CB 4.38Å; L506-V530 HydrophobicContact CD1-CG1 3.54Å; L506-V530 HydrophobicContact CD2-CB 4.03Å; L506-V530 HydrophobicContact CD2-CG1 3.92Å; L506-V530 HydrophobicContact CG-CG1 4.38Å; L506-I531 HydrophobicContact CB-CD1 4.26Å; L506-I531 HydrophobicContact CD2-CG1 4.49Å
507	F	98.6	Very high	97.2	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.2	172.2	-57.8	-92.7	0	0	0	110.4	W375 W468 K469 H471 L505 L509 E515 P518	W375-F507 HydrophobicContact CH2-CE2 4.39Å; W375-F507 HydrophobicContact CH2-CZ 4.17Å; W375-F507 HydrophobicContact CZ3-CE2 4.19Å; W375-F507 HydrophobicContact CZ3-CZ 4.12Å; W468-F507 CarbonylContact C-O 3.44Å; W468-F507 WeakPolarHBondContact CA-O 3.23Å; K469-F507 PolarHBondContact N-O 3.42Å; K469-F507 PolarHBondContact O-N 3.24Å; H471-F507 AromaticContact CD2-CD2 3.64Å; H471-F507 AromaticContact CD2-CE2 3.62Å; L505-F507 HydrophobicContact CB-CE2 3.85Å; L505-F507 HydrophobicContact CB-CZ 4.4Å; F507-L509 HydrophobicContact CB-CD2 4.49Å; F507-E515 HydrophobicContact CD1-CB 3.99Å; F507-E515 HydrophobicContact CE1-CB 4.08Å; F507-E515 WeakPolarHBondContact CE1-O 3.29Å; F507-E515 HydrophobicContact CG-CB 4.28Å; F507-E515 HydrophobicContact CG-CG 4.49Å; F507-E515 HydrophobicContact CZ-CB 4.46Å; F507-P518 HydrophobicContact CE1-CB 3.96Å; F507-P518 HydrophobicContact CE2-CB 4.48Å; F507-P518 HydrophobicContact CZ-CB 3.86Å
508	D	97.9	Very high	97.3	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.064	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	101.2	165.1	179.8	2.7	0	0	0	108.8	V467 W468 S510 R511 D512 L519	V467-D508 PolarHBondContact N-OD1 2.89Å; V467-D508 CarbonylContact O-C 3.54Å; W468-D508 HydrophobicContact CE3-CB 3.92Å; W468-D508 HydrophobicContact CH2-CB 4.19Å; W468-D508 HydrophobicContact CZ3-CB 3.68Å; D508-S510 PolarHBondContact O-N 3.31Å; D508-S510 VanDerWaalsContact OD1-CB 3.3Å; D508-S510 WeakPolarHBondContact OD1-CB 3.42Å; D508-S510 PolarHBondContact OD1-N 2.76Å; D508-S510 PolarHBondContact OD1-OG 2.03Å; D508-S510 PolarHBondContact OD2-OG 2.93Å; D508-S510 VanDerWaalsContact OD2-OG 3.11Å; D508-R511 PolarHBondContact O-N 3.43Å; D508-R511 WeakPolarHBondContact OD2-CD 3.24Å; D508-D512 PolarHBondContact O-N 2.79Å; D508-L519 HydrophobicContact CB-CD1 4.05Å
509	L	97.9	Very high	97.4	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.8	-177.4	-57.8	-177.2	0	0	0	113.2	E376 V467 K469 F507 R511 E515	E376-L509 HydrophobicContact CG-CD1 4.23Å; E376-L509 HydrophobicContact CG-CD2 4.12Å; V467-L509 HydrophobicContact CB-CB 4.08Å; V467-L509 HydrophobicContact CG1-CB 4.04Å; V467-L509 HydrophobicContact CG1-CD1 4Å; V467-L509 HydrophobicContact CG1-CG 4.37Å; V467-L509 PolarHBondContact O-N 3.3Å; K469-L509 HydrophobicContact CB-CD1 4.17Å; K469-L509 HydrophobicContact CB-CD2 4.45Å; K469-L509 HydrophobicContact CB-CG 4.14Å; K469-L509 HydrophobicContact CD-CD1 3.83Å; K469-L509 HydrophobicContact CD-CD2 4.32Å; K469-L509 HydrophobicContact CD-CG 4.4Å; F507-L509 HydrophobicContact CB-CD2 4.49Å; L509-R511 VanDerWaalsContact C-N 3.25Å; L509-E515 HydrophobicContact CD2-CG 3.47Å; L509-E515 VanDerWaalsContact CD2-CG 3.47Å
510	S	95.8	Very high	97.4	Very high	61 Å²	61	54 Å²	54	43%	0.427	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.3	173.6	77.2	0	0	0	0	111.7	G465 D508	G465-S510 VanDerWaalsContact O-CB 3.32Å; G465-S510 WeakPolarHBondContact O-CB 3.41Å; D508-S510 PolarHBondContact O-N 3.31Å; D508-S510 VanDerWaalsContact OD1-CB 3.3Å; D508-S510 WeakPolarHBondContact OD1-CB 3.42Å; D508-S510 PolarHBondContact OD1-N 2.76Å; D508-S510 PolarHBondContact OD1-OG 2.03Å; D508-S510 PolarHBondContact OD2-OG 2.93Å; D508-S510 VanDerWaalsContact OD2-OG 3.11Å
511	R	95.9	Very high	97.3	Very high	173 Å²	173	51.4 Å²	51.4	65%	0.653	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-40.5	-179	-67.4	172	58.5	-168.6	-5.1	113	D508 L509 E524	D508-R511 PolarHBondContact O-N 3.43Å; D508-R511 WeakPolarHBondContact OD2-CD 3.24Å; L509-R511 VanDerWaalsContact C-N 3.25Å; R511-E524 IonicContact NH1-OE2 2.82Å
512	D	97.7	Very high	97.3	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.139	32%	0.322	C	S	.	.			trans	-125	76.6	179.1	-178	16.3	0	0	0	111	D508 S514 E515 S516 T517	D508-D512 PolarHBondContact O-N 2.79Å; D512-S514 PolarHBondContact O-N 2.72Å; D512-S514 PolarHBondContact OD1-N 3.32Å; D512-S514 PolarHBondContact OD1-OG 3.37Å; D512-E515 PolarHBondContact O-N 3.16Å; D512-E515 PolarHBondContact OD1-N 3.23Å; D512-S516 PolarHBondContact OD1-OG 3.34Å; D512-S516 PolarHBondContact OD2-N 2.99Å; D512-S516 PolarHBondContact OD2-OG 2.85Å; D512-T517 PolarHBondContact OD2-N 3.47Å
513	P	97.1	Very high	97.3	Very high	37 Å²	37	50.5 Å²	50.5	24%	0.24	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.6	175.3	26.5	-35.5	0	0	0	113.4	I365 Y366 E515	I365-P513 HydrophobicContact CD1-CB 4.04Å; I365-P513 HydrophobicContact CD1-CG 3.66Å; Y366-P513 HydrophobicContact CD1-CB 4.49Å; Y366-P513 WeakPolarHBondContact CD1-O 3.36Å; Y366-P513 HydrophobicContact CE1-CB 4Å; P513-E515 VanDerWaalsContact C-N 3.32Å
514	S	96.9	Very high	97.4	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9	178.6	72.9	0	0	0	0	113.6	I365 K367 D512 S516	I365-S514 WeakPolarHBondContact O-CA 3.42Å; I365-S514 WeakPolarHBondContact O-CB 3.46Å; K367-S514 VanDerWaalsContact CB-O 3.31Å; K367-S514 WeakPolarHBondContact CB-O 3.47Å; D512-S514 PolarHBondContact O-N 2.72Å; D512-S514 PolarHBondContact OD1-N 3.32Å; D512-S514 PolarHBondContact OD1-OG 3.37Å; S514-S516 PolarHBondContact O-N 2.96Å; S514-S516 WeakPolarHBondContact OG-CB 3.47Å; S514-S516 PolarHBondContact OG-OG 3.2Å
515	E	97.7	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.322	C	S	.	.			trans	49.9	43.6	-176.9	-52.3	175	97.9	0	0	112.1	K367 W375 E376 K469 H471 F507 L509 D512 P513	K367-E515 HydrophobicContact CD-CB 4.4Å; K367-E515 WeakPolarHBondContact CD-O 3.46Å; K367-E515 PolarHBondContact NZ-O 3.3Å; W375-E515 HydrophobicContact CE3-CB 3.9Å; W375-E515 HydrophobicContact CE3-CG 4.38Å; W375-E515 HydrophobicContact CZ3-CB 3.6Å; W375-E515 HydrophobicContact CZ3-CG 4.41Å; E376-E515 WeakPolarHBondContact CB-OE2 3.29Å; E376-E515 HydrophobicContact CG-CG 4.27Å; E376-E515 VanDerWaalsContact CG-OE2 3.28Å; E376-E515 WeakPolarHBondContact CG-OE2 3.37Å; E376-E515 PolarHBondContact N-OE2 2.92Å; K469-E515 WeakPolarHBondContact CD-OE1 3.49Å; K469-E515 VanDerWaalsContact CE-OE1 3.31Å; K469-E515 WeakPolarHBondContact CE-OE1 3Å; K469-E515 IonicContact NZ-OE1 3.51Å; K469-E515 PolarHBondContact NZ-OE1 2.94Å; K469-E515 IonicContact NZ-OE2 2.94Å; K469-E515 PolarHBondContact NZ-OE2 3.47Å; H471-E515 IonicContact CD2-OE1 2.9Å; H471-E515 IonicContact CE1-OE1 2.81Å; H471-E515 PolarHBondContact CE1-OE1 2.98Å; H471-E515 IonicContact NE2-OE1 3.44Å; H471-E515 PolarHBondContact NE2-OE1 3.14Å; F507-E515 HydrophobicContact CD1-CB 3.99Å; F507-E515 HydrophobicContact CE1-CB 4.08Å; F507-E515 WeakPolarHBondContact CE1-O 3.29Å; F507-E515 HydrophobicContact CG-CB 4.28Å; F507-E515 HydrophobicContact CG-CG 4.49Å; F507-E515 HydrophobicContact CZ-CB 4.46Å; L509-E515 HydrophobicContact CD2-CG 3.47Å; L509-E515 VanDerWaalsContact CD2-CG 3.47Å; D512-E515 PolarHBondContact O-N 3.16Å; D512-E515 PolarHBondContact OD1-N 3.23Å; P513-E515 VanDerWaalsContact C-N 3.32Å
516	S	95.4	Very high	97.2	Very high	67 Å²	67	55 Å²	55	47%	0.469	33%	0.332	S	S	.	.			trans	-84.1	-39.9	-175.4	63.3	0	0	0	0	111.6	D512 S514	D512-S516 PolarHBondContact OD1-OG 3.34Å; D512-S516 PolarHBondContact OD2-N 2.99Å; D512-S516 PolarHBondContact OD2-OG 2.85Å; S514-S516 PolarHBondContact O-N 2.96Å; S514-S516 WeakPolarHBondContact OG-CB 3.47Å; S514-S516 PolarHBondContact OG-OG 3.2Å
517	T	96.1	Very high	97.2	Very high	93 Å²	93	55.3 Å²	55.3	57%	0.571	33%	0.333	S	S	*	.	S	Bend	trans	-125	106.6	-170.1	-52.6	0	0	0	0	110.6	D512	D512-T517 PolarHBondContact OD2-N 3.47Å
518	P	97.6	Very high	97.1	Very high	55 Å²	55	60.2 Å²	60.2	36%	0.357	36%	0.359	S	S	.	.			trans	-68.8	141.5	176.4	28.5	-33.4	0	0	0	110.9	L505 L506 F507	L505-P518 HydrophobicContact CB-CB 4.35Å; L505-P518 HydrophobicContact CD2-CB 4.37Å; L506-P518 CarbonylContact O-C 3.32Å; L506-P518 WeakPolarHBondContact O-CA 3.4Å; F507-P518 HydrophobicContact CE1-CB 3.96Å; F507-P518 HydrophobicContact CE2-CB 4.48Å; F507-P518 HydrophobicContact CZ-CB 3.86Å
519	L	98.3	Very high	97.1	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.141	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-83	147	176.2	-59.3	173	0	0	0	110.4	W468 L506 D508 E524 H527	W468-L519 HydrophobicContact CE3-CD1 4.4Å; W468-L519 HydrophobicContact CH2-CD1 4.48Å; W468-L519 HydrophobicContact CZ3-CD1 3.59Å; L506-L519 HydrophobicContact CB-CB 4.36Å; L506-L519 PolarHBondContact O-N 3.38Å; D508-L519 HydrophobicContact CB-CD1 4.05Å; L519-E524 HydrophobicContact CB-CB 4.04Å; L519-E524 HydrophobicContact CD1-CB 4.3Å; L519-E524 HydrophobicContact CD1-CG 4.25Å; L519-E524 HydrophobicContact CD2-CB 4.48Å; L519-H527 PolarHBondContact O-CD2 3.45Å
520	T	97.8	Very high	97.1	Very high	62 Å²	62	65.1 Å²	65.1	38%	0.38	38%	0.38	S	S	.	.			trans	-128.2	166.1	179	67.9	0	0	0	0	109.9	A522 T523 E524	T520-A522 PolarHBondContact O-N 3.29Å; T520-A522 VanDerWaalsContact O-N 3.08Å; T520-A522 PolarHBondContact OG1-N 3.41Å; T520-T523 PolarHBondContact N-OG1 3.4Å; T520-T523 PolarHBondContact O-N 3.4Å; T520-T523 PolarHBondContact O-OG1 2.9Å; T520-T523 PolarHBondContact OG1-N 3.49Å; T520-T523 PolarHBondContact OG1-OG1 3.36Å; T520-E524 PolarHBondContact O-N 3.31Å
521	P	97.3	Very high	97.2	Very high	79 Å²	79	63.4 Å²	63.4	51%	0.513	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25	173.4	-25.3	33.6	0	0	0	114.1
522	A	97.1	Very high	97.4	Very high	98 Å²	98	61.6 Å²	61.6	81%	0.81	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.2	177.2	0	0	0	0	0	113	T520	T520-A522 PolarHBondContact O-N 3.29Å; T520-A522 VanDerWaalsContact O-N 3.08Å; T520-A522 PolarHBondContact OG1-N 3.41Å
523	T	97.1	Very high	97.4	Very high	86 Å²	86	64.1 Å²	64.1	53%	0.528	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-17.4	-175.2	59.7	0	0	0	0	113.3	T520	T520-T523 PolarHBondContact N-OG1 3.4Å; T520-T523 PolarHBondContact O-N 3.4Å; T520-T523 PolarHBondContact O-OG1 2.9Å; T520-T523 PolarHBondContact OG1-N 3.49Å; T520-T523 PolarHBondContact OG1-OG1 3.36Å
524	E	97.3	Very high	97.4	Very high	19 Å²	19	62.3 Å²	62.3	9%	0.089	36%	0.361	C	S	.	.			trans	-138.7	107.2	-178.4	179.4	47.4	-110.5	0	0	110.8	W468 R511 L519 T520 L526 H527	W468-E524 HydrophobicContact CH2-CG 3.91Å; W468-E524 HydrophobicContact CZ3-CG 4.07Å; R511-E524 IonicContact NH1-OE2 2.82Å; L519-E524 HydrophobicContact CB-CB 4.04Å; L519-E524 HydrophobicContact CD1-CB 4.3Å; L519-E524 HydrophobicContact CD1-CG 4.25Å; L519-E524 HydrophobicContact CD2-CB 4.48Å; T520-E524 PolarHBondContact O-N 3.31Å; E524-L526 PolarHBondContact O-N 3.24Å; E524-L526 WeakPolarHBondContact OE1-CB 3.45Å; E524-L526 PolarHBondContact OE1-N 3.47Å; E524-H527 HydrophobicContact CB-CB 4.26Å; E524-H527 HydrophobicContact CG-CB 4.39Å; E524-H527 WeakPolarHBondContact O-CB 3.48Å; E524-H527 PolarHBondContact O-N 3.18Å
525	P	96.6	Very high	97.5	Very high	125 Å²	125	62.5 Å²	62.5	81%	0.812	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.7	179.5	-25.9	35.1	0	0	0	114.5	H527	P525-H527 VanDerWaalsContact C-N 3.29Å
526	L	96.3	Very high	97.6	Very high	89 Å²	89	66.3 Å²	66.3	47%	0.466	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.3	178.7	-62.7	178.4	0	0	0	113.4	E524 D528 F529 V530	E524-L526 PolarHBondContact O-N 3.24Å; E524-L526 WeakPolarHBondContact OE1-CB 3.45Å; E524-L526 PolarHBondContact OE1-N 3.47Å; L526-D528 PolarHBondContact O-N 2.83Å; L526-F529 WeakPolarHBondContact O-CB 3.4Å; L526-F529 PolarHBondContact O-N 2.82Å; L526-F529 VanDerWaalsContact O-N 3.12Å; L526-V530 HydrophobicContact CB-CG2 4.15Å; L526-V530 VanDerWaalsContact O-CG2 3.28Å; L526-V530 WeakPolarHBondContact O-CG2 3.33Å; L526-V530 PolarHBondContact O-N 2.77Å
527	H	98.1	Very high	97.7	Very high	7 Å²	7	63.5 Å²	63.5	3%	0.032	37%	0.366	C	S	.	.	H	α-helix	trans	-48.8	-56.8	-172.4	176.4	-82.2	0	0	0	112.6	L506 L519 E524 P525 F529 V530 I531	L506-H527 HydrophobicContact CD2-CB 4.38Å; L519-H527 PolarHBondContact O-CD2 3.45Å; E524-H527 HydrophobicContact CB-CB 4.26Å; E524-H527 HydrophobicContact CG-CB 4.39Å; E524-H527 WeakPolarHBondContact O-CB 3.48Å; E524-H527 PolarHBondContact O-N 3.18Å; P525-H527 VanDerWaalsContact C-N 3.29Å; H527-F529 VanDerWaalsContact C-N 3.3Å; H527-F529 PolarHBondContact O-N 3.31Å; H527-V530 PolarHBondContact O-N 3.3Å; H527-I531 WeakPolarHBondContact O-CG1 3.27Å; H527-I531 PolarHBondContact O-N 2.69Å
528	D	97.9	Very high	97.8	Very high	106 Å²	106	59.4 Å²	59.4	57%	0.567	34%	0.34	S	S	*	.	H	α-helix	trans	-68.4	-31.5	-174.5	-64.5	-17.2	0	0	0	112.6	L526 K532	L526-D528 PolarHBondContact O-N 2.83Å; D528-K532 WeakPolarHBondContact O-CB 3.27Å; D528-K532 PolarHBondContact O-N 3.21Å
529	F	97.8	Very high	97.8	Very high	119 Å²	119	63.2 Å²	63.2	52%	0.522	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-47.1	174.3	172	-106.8	0	0	0	111.3	W458 L526 H527 K532 K533	W458-F529 HydrophobicContact CH2-CD1 4.44Å; W458-F529 AromaticContact CH2-CE1 3.73Å; W458-F529 HydrophobicContact CH2-CE1 3.73Å; W458-F529 HydrophobicContact CH2-CZ 4.4Å; W458-F529 HydrophobicContact CZ3-CE1 4.27Å; L526-F529 WeakPolarHBondContact O-CB 3.4Å; L526-F529 PolarHBondContact O-N 2.82Å; L526-F529 VanDerWaalsContact O-N 3.12Å; H527-F529 VanDerWaalsContact C-N 3.3Å; H527-F529 PolarHBondContact O-N 3.31Å; F529-K532 PolarHBondContact O-N 3.26Å; F529-K533 WeakPolarHBondContact O-CB 3.2Å; F529-K533 PolarHBondContact O-N 2.9Å
530	V	98	Very high	97.8	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-47.8	177.6	173.8	0	0	0	0	110.3	W458 W468 L506 L526 H527 K532 K533 V534	W458-V530 HydrophobicContact CE3-CG1 4.04Å; W458-V530 HydrophobicContact CE3-CG2 4.42Å; W458-V530 HydrophobicContact CZ3-CB 4.3Å; W458-V530 HydrophobicContact CZ3-CG1 4.3Å; W458-V530 HydrophobicContact CZ3-CG2 3.9Å; W468-V530 HydrophobicContact CB-CG1 3.76Å; W468-V530 HydrophobicContact CD2-CG1 3.99Å; W468-V530 HydrophobicContact CD2-CG2 3.83Å; W468-V530 HydrophobicContact CE3-CG1 4.25Å; W468-V530 HydrophobicContact CE3-CG2 4.25Å; W468-V530 HydrophobicContact CG-CG1 3.75Å; W468-V530 HydrophobicContact CG-CG2 4.13Å; W468-V530 HydrophobicContact CZ2-CG2 4.25Å; L506-V530 HydrophobicContact CD1-CG1 3.54Å; L506-V530 HydrophobicContact CD2-CB 4.03Å; L506-V530 HydrophobicContact CD2-CG1 3.92Å; L506-V530 HydrophobicContact CG-CG1 4.38Å; L526-V530 HydrophobicContact CB-CG2 4.15Å; L526-V530 VanDerWaalsContact O-CG2 3.28Å; L526-V530 WeakPolarHBondContact O-CG2 3.33Å; L526-V530 PolarHBondContact O-N 2.77Å; H527-V530 PolarHBondContact O-N 3.3Å; V530-K532 VanDerWaalsContact C-N 3.31Å; V530-K532 PolarHBondContact O-N 3.44Å; V530-K533 PolarHBondContact O-N 3.28Å; V530-V534 HydrophobicContact CG1-CG2 4.39Å; V530-V534 WeakPolarHBondContact O-CB 3.45Å; V530-V534 WeakPolarHBondContact O-CG2 3.32Å; V530-V534 PolarHBondContact O-N 3.41Å
531	I	98.4	Very high	97.8	Very high	24 Å²	24	65.7 Å²	65.7	12%	0.123	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-44	179.3	-66.1	-74.6	0	0	0	110.9	P504 L506 H527 A535	P504-I531 HydrophobicContact CG-CD1 3.63Å; P504-I531 HydrophobicContact CG-CG2 4.36Å; L506-I531 HydrophobicContact CB-CD1 4.26Å; L506-I531 HydrophobicContact CD2-CG1 4.49Å; H527-I531 WeakPolarHBondContact O-CG1 3.27Å; H527-I531 PolarHBondContact O-N 2.69Å; I531-A535 WeakPolarHBondContact O-CB 3.42Å; I531-A535 PolarHBondContact O-N 3.49Å
532	K	98.3	Very high	97.9	Very high	136 Å²	136	69 Å²	69	59%	0.591	36%	0.36	S	S	*	.	H	α-helix	trans	-64.1	-48.4	176.3	-176.7	177.8	177.7	-178	0	111.9	D528 F529 V530 V534 A535 D536	D528-K532 WeakPolarHBondContact O-CB 3.27Å; D528-K532 PolarHBondContact O-N 3.21Å; F529-K532 PolarHBondContact O-N 3.26Å; V530-K532 VanDerWaalsContact C-N 3.31Å; V530-K532 PolarHBondContact O-N 3.44Å; K532-V534 VanDerWaalsContact C-N 3.3Å; K532-V534 PolarHBondContact O-N 2.93Å; K532-A535 PolarHBondContact O-N 3.25Å; K532-A535 VanDerWaalsContact O-N 3.12Å; K532-D536 PolarHBondContact O-N 3.16Å
533	K	98.3	Very high	97.9	Very high	78 Å²	78	71.1 Å²	71.1	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-42.7	-179.3	-174.3	70.1	177.4	-179	0	111.8	F444 W458 F529 V530 A537	F444-K533 HydrophobicContact CZ-CG 4.17Å; W458-K533 HydrophobicContact CD2-CG 4.05Å; W458-K533 HydrophobicContact CE3-CB 4.43Å; W458-K533 HydrophobicContact CE3-CG 4.19Å; W458-K533 HydrophobicContact CH2-CB 4.36Å; W458-K533 HydrophobicContact CH2-CG 3.86Å; W458-K533 HydrophobicContact CZ2-CD 4.36Å; W458-K533 HydrophobicContact CZ2-CG 3.68Å; W458-K533 HydrophobicContact CZ3-CB 4.23Å; W458-K533 HydrophobicContact CZ3-CG 4.09Å; F529-K533 WeakPolarHBondContact O-CB 3.2Å; F529-K533 PolarHBondContact O-N 2.9Å; V530-K533 PolarHBondContact O-N 3.28Å; K533-A537 PolarHBondContact O-N 2.94Å; K533-A537 VanDerWaalsContact O-N 3.14Å
534	V	98.4	Very high	97.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-41.8	175.5	169.3	0	0	0	0	111.8	V456 W458 A470 Y472 V530 K532 A537 L538	V456-V534 HydrophobicContact CB-CG1 3.56Å; V456-V534 HydrophobicContact CG1-CG1 3.74Å; V456-V534 HydrophobicContact CG2-CG1 4.14Å; W458-V534 HydrophobicContact CB-CG2 3.87Å; A470-V534 HydrophobicContact CB-CG1 3.91Å; Y472-V534 HydrophobicContact CE2-CG1 4.38Å; V530-V534 HydrophobicContact CG1-CG2 4.39Å; V530-V534 WeakPolarHBondContact O-CB 3.45Å; V530-V534 WeakPolarHBondContact O-CG2 3.32Å; V530-V534 PolarHBondContact O-N 3.41Å; K532-V534 VanDerWaalsContact C-N 3.3Å; K532-V534 PolarHBondContact O-N 2.93Å; V534-A537 PolarHBondContact O-N 3.42Å; V534-L538 WeakPolarHBondContact O-CB 3.42Å; V534-L538 PolarHBondContact O-N 3.16Å
535	A	98.4	Very high	97.9	Very high	41 Å²	41	70.7 Å²	70.7	34%	0.339	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.8	0	0	0	0	0	112.4	I531 K532 L538 K539	I531-A535 WeakPolarHBondContact O-CB 3.42Å; I531-A535 PolarHBondContact O-N 3.49Å; K532-A535 PolarHBondContact O-N 3.25Å; K532-A535 VanDerWaalsContact O-N 3.12Å; A535-L538 PolarHBondContact O-N 3.39Å; A535-K539 PolarHBondContact O-N 2.85Å
536	D	98.4	Very high	97.8	Very high	80 Å²	80	71.9 Å²	71.9	43%	0.428	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-49.1	176.5	-69.2	-22.6	0	0	0	110.7	K532 L538 K539 E540	K532-D536 PolarHBondContact O-N 3.16Å; D536-L538 VanDerWaalsContact C-N 3.31Å; D536-L538 PolarHBondContact O-N 3.27Å; D536-K539 WeakPolarHBondContact O-CB 3.36Å; D536-K539 PolarHBondContact O-N 3.02Å; D536-K539 VanDerWaalsContact O-N 3.1Å; D536-E540 PolarHBondContact O-N 2.95Å; D536-E540 VanDerWaalsContact O-N 3.1Å
537	A	98.4	Very high	97.7	Very high	8 Å²	8	74 Å²	74	7%	0.066	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-36.4	177	0	0	0	0	0	112.9	F444 K533 V534 K539 E540 H541	F444-A537 HydrophobicContact CD1-CB 3.56Å; F444-A537 HydrophobicContact CD2-CB 3.95Å; F444-A537 HydrophobicContact CE1-CB 3.33Å; F444-A537 HydrophobicContact CE2-CB 3.75Å; F444-A537 HydrophobicContact CG-CB 3.86Å; F444-A537 HydrophobicContact CZ-CB 3.44Å; F444-A537 VanDerWaalsContact CZ-CB 3.44Å; K533-A537 PolarHBondContact O-N 2.94Å; K533-A537 VanDerWaalsContact O-N 3.14Å; V534-A537 PolarHBondContact O-N 3.42Å; A537-K539 VanDerWaalsContact C-N 3.32Å; A537-E540 PolarHBondContact O-N 2.92Å; A537-H541 WeakPolarHBondContact O-CB 3.39Å; A537-H541 PolarHBondContact O-N 3.3Å
538	L	98.3	Very high	97.5	Very high	7 Å²	7	76.5 Å²	76.5	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-38.4	174.6	174.8	56.5	0	0	0	112	F446 L453 V456 Y472 V534 A535 D536 R542	F446-L538 HydrophobicContact CD1-CD1 4.26Å; F446-L538 HydrophobicContact CE1-CD1 4.4Å; L453-L538 HydrophobicContact CD1-CD1 4.08Å; L453-L538 HydrophobicContact CD2-CD1 3.31Å; L453-L538 HydrophobicContact CD2-CD2 3.4Å; L453-L538 VanDerWaalsContact CD2-CD2 3.4Å; L453-L538 HydrophobicContact CD2-CG 3.98Å; L453-L538 HydrophobicContact CG-CD1 4.26Å; V456-L538 HydrophobicContact CG2-CB 4.49Å; V456-L538 HydrophobicContact CG2-CD1 4.43Å; Y472-L538 HydrophobicContact CD2-CD2 4.44Å; Y472-L538 HydrophobicContact CE1-CD2 4.45Å; Y472-L538 HydrophobicContact CE2-CD2 3.81Å; V534-L538 WeakPolarHBondContact O-CB 3.42Å; V534-L538 PolarHBondContact O-N 3.16Å; A535-L538 PolarHBondContact O-N 3.39Å; D536-L538 VanDerWaalsContact C-N 3.31Å; D536-L538 PolarHBondContact O-N 3.27Å; L538-R542 HydrophobicContact CD1-CG 4.11Å; L538-R542 WeakPolarHBondContact O-CB 3.25Å; L538-R542 WeakPolarHBondContact O-CG 3.26Å; L538-R542 PolarHBondContact O-N 2.91Å
539	K	98.2	Very high	97.4	Very high	135 Å²	135	76.2 Å²	76.2	59%	0.587	38%	0.384	S	S	*	.	H	α-helix	trans	-62.4	-49.7	176.1	-174.8	-173	171.4	-167.5	0	110.6	A535 D536 A537 H541 R542 E543	A535-K539 PolarHBondContact O-N 2.85Å; D536-K539 WeakPolarHBondContact O-CB 3.36Å; D536-K539 PolarHBondContact O-N 3.02Å; D536-K539 VanDerWaalsContact O-N 3.1Å; A537-K539 VanDerWaalsContact C-N 3.32Å; K539-H541 PolarHBondContact O-N 2.81Å; K539-R542 PolarHBondContact O-N 2.99Å; K539-E543 WeakPolarHBondContact O-CG 3.35Å; K539-E543 PolarHBondContact O-N 3.5Å
540	E	98.1	Very high	97.3	Very high	130 Å²	130	74 Å²	74	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-58.5	-46	177.2	-68.1	176.3	-171.7	0	0	111.7	D536 A537 R542 E543 T544	D536-E540 PolarHBondContact O-N 2.95Å; D536-E540 VanDerWaalsContact O-N 3.1Å; A537-E540 PolarHBondContact O-N 2.92Å; E540-R542 VanDerWaalsContact C-N 3.34Å; E540-R542 PolarHBondContact O-N 2.88Å; E540-E543 WeakPolarHBondContact O-CB 3.48Å; E540-E543 PolarHBondContact O-N 3.47Å; E540-T544 PolarHBondContact O-N 3.5Å
541	H	98.2	Very high	97.2	Very high	12 Å²	12	75.3 Å²	75.3	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-58.8	-44.4	177.5	173	64.5	0	0	0	112.4	Y90 F446 Y448 A537 K539 E543 T544	Y90-H541 AromaticContact CD2-CE1 3.92Å; F446-H541 HydrophobicContact CD1-CB 4.19Å; F446-H541 AromaticContact CD1-CD2 3.7Å; F446-H541 AromaticContact CD1-CG 3.93Å; F446-H541 HydrophobicContact CD2-CB 4.28Å; F446-H541 AromaticContact CD2-CD2 3.89Å; F446-H541 AromaticContact CD2-CE1 3.79Å; F446-H541 AromaticContact CD2-CG 3.66Å; F446-H541 AromaticContact CD2-ND1 3.63Å; F446-H541 AromaticContact CD2-NE2 3.96Å; F446-H541 HydrophobicContact CE1-CB 3.62Å; F446-H541 AromaticContact CE1-CG 3.86Å; F446-H541 HydrophobicContact CE2-CB 3.72Å; F446-H541 AromaticContact CE2-CG 3.58Å; F446-H541 AromaticContact CE2-ND1 3.67Å; F446-H541 AromaticContact CG-CD2 3.63Å; F446-H541 AromaticContact CG-CG 3.85Å; F446-H541 AromaticContact CG-NE2 3.8Å; F446-H541 HydrophobicContact CZ-CB 3.36Å; F446-H541 AromaticContact CZ-CG 3.7Å; Y448-H541 AromaticContact CE2-NE2 3.69Å; Y448-H541 AromaticContact CZ-NE2 3.7Å; Y448-H541 PolarHBondContact OH-CD2 2.93Å; Y448-H541 PolarHBondContact OH-NE2 3.32Å; A537-H541 WeakPolarHBondContact O-CB 3.39Å; A537-H541 PolarHBondContact O-N 3.3Å; K539-H541 PolarHBondContact O-N 2.81Å; H541-E543 VanDerWaalsContact C-N 3.27Å; H541-E543 PolarHBondContact O-N 2.89Å; H541-T544 WeakPolarHBondContact O-CB 3.24Å; H541-T544 PolarHBondContact O-N 3.41Å; H541-T544 PolarHBondContact O-OG1 3.22Å
542	R	97.6	Very high	97	Very high	149 Å²	149	74.6 Å²	74.6	56%	0.562	38%	0.375	S	S	*	.	H	α-helix	trans	-61.4	-34.2	178.2	-78	176.5	174.3	175.3	0.9	112.7	L538 K539 E540 T544 I545	L538-R542 HydrophobicContact CD1-CG 4.11Å; L538-R542 WeakPolarHBondContact O-CB 3.25Å; L538-R542 WeakPolarHBondContact O-CG 3.26Å; L538-R542 PolarHBondContact O-N 2.91Å; K539-R542 PolarHBondContact O-N 2.99Å; E540-R542 VanDerWaalsContact C-N 3.34Å; E540-R542 PolarHBondContact O-N 2.88Å; R542-T544 PolarHBondContact O-N 3.3Å; R542-I545 PolarHBondContact O-N 2.91Å; R542-I545 VanDerWaalsContact O-N 3.13Å
543	E	97.3	Very high	96.5	Very high	141 Å²	141	69.2 Å²	69.2	66%	0.659	35%	0.354	S	S	*	.	H	α-helix	trans	-64.9	-24.1	175.2	-67.8	172.4	-174.7	0	0	112.1	K539 E540 H541	K539-E543 WeakPolarHBondContact O-CG 3.35Å; K539-E543 PolarHBondContact O-N 3.5Å; E540-E543 WeakPolarHBondContact O-CB 3.48Å; E540-E543 PolarHBondContact O-N 3.47Å; H541-E543 VanDerWaalsContact C-N 3.27Å; H541-E543 PolarHBondContact O-N 2.89Å
544	T	97.1	Very high	95.5	Very high	56 Å²	56	71.3 Å²	71.3	34%	0.344	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.9	174.8	79.8	0	0	0	0	114.3	R93 E540 H541 R542 M546	R93-T544 PolarHBondContact NH1-O 3.32Å; R93-T544 PolarHBondContact NH1-OG1 3.02Å; R93-T544 PolarHBondContact NH2-OG1 3.37Å; R93-T544 VanDerWaalsContact NH2-OG1 3.08Å; E540-T544 PolarHBondContact O-N 3.5Å; H541-T544 WeakPolarHBondContact O-CB 3.24Å; H541-T544 PolarHBondContact O-N 3.41Å; H541-T544 PolarHBondContact O-OG1 3.22Å; R542-T544 PolarHBondContact O-N 3.3Å; T544-M546 PolarHBondContact O-N 2.85Å
545	I	97.1	Very high	94.5	Very high	40 Å²	40	78.6 Å²	78.6	21%	0.205	40%	0.403	C	S	.	.			trans	-85.8	106.3	-177.7	-56.6	-50.7	0	0	0	109.5	I92 R93 R542	I92-I545 HydrophobicContact CG1-CG2 3.88Å; I92-I545 HydrophobicContact CG2-CD1 3.82Å; I92-I545 HydrophobicContact CG2-CG2 4.48Å; R93-I545 HydrophobicContact CG-CD1 4.16Å; R542-I545 PolarHBondContact O-N 2.91Å; R542-I545 VanDerWaalsContact O-N 3.13Å
546	M	94.5	Very high	93.6	Very high	150 Å²	150	78.1 Å²	78.1	74%	0.739	40%	0.395	S	S	*	.			trans	-79.6	139.9	172.9	-64.3	-174.8	69.5	0	0	111	T544 V548	T544-M546 PolarHBondContact O-N 2.85Å; M546-V548 PolarHBondContact O-N 3.41Å
547	P	94.3	Very high	92.7	Very high	133 Å²	133	80.7 Å²	80.7	86%	0.864	41%	0.405	S	S	*	.			trans	-60.1	128.4	172.7	-22.7	33.3	0	0	0	111.5
548	V	95.4	Very high	91.9	Very high	60 Å²	60	82.2 Å²	82.2	36%	0.364	42%	0.421	S	S	.	.			trans	-135.8	157.2	176.6	-65.6	0	0	0	0	109.9	I92 M546 Y550	I92-V548 WeakPolarHBondContact O-CG2 3.48Å; M546-V548 PolarHBondContact O-N 3.41Å; V548-Y550 PolarHBondContact O-N 2.79Å
549	T	94.7	Very high	91.5	Very high	101 Å²	101	86.4 Å²	86.4	62%	0.62	44%	0.436	S	S	*	.			trans	-67.2	124.9	175.6	-57.3	0	0	0	0	110.3	Q551	T549-Q551 PolarHBondContact O-N 3.3Å
550	Y	96.3	Very high	91	Very high	71 Å²	71	86 Å²	86	28%	0.278	44%	0.438	S	S	.	.			trans	-73.6	112.2	175.1	-68	-8.4	0	0	0	110.9	I92 G95 V97 S99 V548 L552 S553	I92-Y550 HydrophobicContact CD1-CE1 3.84Å; I92-Y550 WeakPolarHBondContact CD1-OH 3.18Å; G95-Y550 CarbonylContact O-C 3.56Å; G95-Y550 WeakPolarHBondContact O-CA 3.36Å; V97-Y550 HydrophobicContact CG2-CD1 3.62Å; V97-Y550 HydrophobicContact CG2-CD2 4.44Å; V97-Y550 HydrophobicContact CG2-CE1 3.7Å; V97-Y550 HydrophobicContact CG2-CG 4.02Å; S99-Y550 VanDerWaalsContact OG-CE2 3.27Å; S99-Y550 WeakPolarHBondContact OG-CE2 3.39Å; V548-Y550 PolarHBondContact O-N 2.79Å; Y550-L552 VanDerWaalsContact C-N 3.31Å; Y550-L552 PolarHBondContact O-N 3.37Å; Y550-S553 VanDerWaalsContact O-CB 3.27Å; Y550-S553 WeakPolarHBondContact O-CB 3.12Å; Y550-S553 PolarHBondContact O-N 2.89Å; Y550-S553 PolarHBondContact O-OG 3.45Å
551	Q	96.1	Very high	90.5	Very high	29 Å²	29	86.8 Å²	86.8	14%	0.136	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.3	179.9	-62.1	-59.3	-42.7	0	0	111.4	G95 M96 A112 G113 P115 T549 S553 N556	G95-Q551 WeakPolarHBondContact O-CB 3.39Å; G95-Q551 PolarHBondContact O-N 2.89Å; M96-Q551 HydrophobicContact SD-CB 3.7Å; M96-Q551 HydrophobicContact SD-CG 3.97Å; A112-Q551 HydrophobicContact CB-CB 4.39Å; A112-Q551 WeakPolarHBondContact CB-O 3.34Å; G113-Q551 WeakPolarHBondContact O-CG 3.07Å; G113-Q551 PolarHBondContact O-OE1 2.89Å; P115-Q551 HydrophobicContact CG-CG 3.98Å; T549-Q551 PolarHBondContact O-N 3.3Å; Q551-S553 VanDerWaalsContact C-N 3.27Å; Q551-S553 PolarHBondContact O-N 3.21Å; Q551-N556 PolarHBondContact O-ND2 2.96Å
552	L	93.8	Very high	90.3	Very high	9 Å²	9	86.2 Å²	86.2	5%	0.047	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	19.6	-177.9	-45.9	178.2	0	0	0	112.2	M96 V97 S98 R103 V105 Y550	M96-L552 HydrophobicContact CE-CD2 4.08Å; V97-L552 WeakPolarHBondContact O-CB 3.25Å; V97-L552 PolarHBondContact O-N 3.49Å; S98-L552 WeakPolarHBondContact CB-O 3.31Å; S98-L552 PolarHBondContact OG-O 3Å; R103-L552 VanDerWaalsContact O-CD1 3.26Å; R103-L552 WeakPolarHBondContact O-CD1 3.24Å; V105-L552 HydrophobicContact CG2-CD2 3.84Å; Y550-L552 VanDerWaalsContact C-N 3.31Å; Y550-L552 PolarHBondContact O-N 3.37Å
553	S	87.8	Confident	90.1	Very high	23 Å²	23	79.6 Å²	79.6	16%	0.161	41%	0.408	C	S	.	.	S	Bend	trans	-73.6	160.6	176.3	68.6	0	0	0	0	112	Y550 Q551 L555 N556	Y550-S553 VanDerWaalsContact O-CB 3.27Å; Y550-S553 WeakPolarHBondContact O-CB 3.12Å; Y550-S553 PolarHBondContact O-N 2.89Å; Y550-S553 PolarHBondContact O-OG 3.45Å; Q551-S553 VanDerWaalsContact C-N 3.27Å; Q551-S553 PolarHBondContact O-N 3.21Å; S553-L555 PolarHBondContact O-N 3.27Å; S553-L555 VanDerWaalsContact O-N 3.16Å; S553-N556 PolarHBondContact O-N 2.87Å
554	E	77.5	Confident	90	Very high	123 Å²	123	73 Å²	73	58%	0.575	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.9	175.2	-61.1	-171.4	166.8	0	0	113.4	N556 Q557	E554-N556 VanDerWaalsContact C-N 3.3Å; E554-Q557 WeakPolarHBondContact O-CG 3.33Å
555	L	76.6	Confident	89.8	Confident	153 Å²	153	71.4 Å²	71.4	80%	0.801	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.9	175	-63.2	173.6	0	0	0	111.9	S553 Q557	S553-L555 PolarHBondContact O-N 3.27Å; S553-L555 VanDerWaalsContact O-N 3.16Å; L555-Q557 PolarHBondContact O-N 3.47Å
556	N	80.8	Confident	89.6	Confident	31 Å²	31	70.2 Å²	70.2	17%	0.166	36%	0.364	C	S	.	.	S	Bend	trans	-83.6	72.3	171.8	-71.9	-25.7	0	0	0	109.3	V110 P111 A112 Q551 S553 E554	V110-N556 HydrophobicContact CG1-CB 4Å; V110-N556 WeakPolarHBondContact CG1-O 3.32Å; P111-N556 HydrophobicContact CG-CB 4.43Å; A112-N556 HydrophobicContact CB-CB 3.98Å; Q551-N556 PolarHBondContact O-ND2 2.96Å; S553-N556 PolarHBondContact O-N 2.87Å; E554-N556 VanDerWaalsContact C-N 3.3Å
557	Q	79.2	Confident	89.2	Confident	134 Å²	134	66.2 Å²	66.2	63%	0.626	36%	0.361	S	S	*	.			trans	-73	143.2	175.4	-62.5	-171.3	-3.7	0	0	110.8	P111 E554 L555 R559	P111-Q557 VanDerWaalsContact CD-O 3.27Å; P111-Q557 WeakPolarHBondContact CD-O 3.39Å; E554-Q557 WeakPolarHBondContact O-CG 3.33Å; L555-Q557 PolarHBondContact O-N 3.47Å; Q557-R559 PolarHBondContact O-N 3.2Å
558	G	82	Confident	88.8	Confident	40 Å²	40	65.1 Å²	65.1	41%	0.412	35%	0.351	S	S	.	.			trans	-61.3	133.6	174.7	0	0	0	0	0	111.5	A109	A109-G558 CarbonylContact O-C 3.59Å; A109-G558 WeakPolarHBondContact O-CA 3.31Å
559	R	89.4	Confident	88.4	Confident	95 Å²	95	65.5 Å²	65.5	36%	0.358	35%	0.348	S	S	.	.			trans	-119	122.6	-179.6	-67	164.1	177.4	-168.7	5.3	109.2	A109 Q557 W561 L562	A109-R559 VanDerWaalsContact CB-O 3.24Å; A109-R559 WeakPolarHBondContact CB-O 3.24Å; A109-R559 PolarHBondContact O-N 3.41Å; Q557-R559 PolarHBondContact O-N 3.2Å; R559-W561 HydrophobicContact CB-CD2 3.9Å; R559-W561 HydrophobicContact CB-CE3 4.19Å; R559-W561 HydrophobicContact CB-CH2 4Å; R559-W561 HydrophobicContact CB-CZ2 3.7Å; R559-W561 HydrophobicContact CB-CZ3 4.24Å; R559-W561 HydrophobicContact CG-CH2 3.79Å; R559-W561 HydrophobicContact CG-CZ2 3.5Å; R559-W561 HydrophobicContact CG-CZ3 4.46Å; R559-W561 PolarHBondContact O-N 2.92Å; R559-W561 VanDerWaalsContact O-N 3.14Å; R559-L562 HydrophobicContact CB-CD1 3.93Å; R559-L562 HydrophobicContact CB-CG 3.9Å; R559-L562 HydrophobicContact CG-CD1 4.41Å; R559-L562 WeakPolarHBondContact O-CB 3.36Å; R559-L562 PolarHBondContact O-N 3.3Å
560	M	86.9	Confident	87.8	Confident	127 Å²	127	61.7 Å²	61.7	63%	0.626	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-57.9	-33.1	-175.9	-70.3	-163.4	-65.7	0	0	113.4	W243 L562 K563	W243-M560 HydrophobicContact CH2-SD 4.35Å; M560-L562 PolarHBondContact O-N 2.87Å; M560-K563 WeakPolarHBondContact O-CB 3.34Å; M560-K563 PolarHBondContact O-N 3.38Å; M560-K563 VanDerWaalsContact O-N 3.16Å
561	W	88.9	Confident	87.2	Confident	145 Å²	145	61.2 Å²	61.2	55%	0.549	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-72.3	-7.3	179.2	61.6	85.8	0	0	0	114.5	R147 R559	R147-W561 WeakPolarHBondContact CB-O 3.28Å; R147-W561 PolarHBondContact N-O 3.49Å; R559-W561 HydrophobicContact CB-CD2 3.9Å; R559-W561 HydrophobicContact CB-CE3 4.19Å; R559-W561 HydrophobicContact CB-CH2 4Å; R559-W561 HydrophobicContact CB-CZ2 3.7Å; R559-W561 HydrophobicContact CB-CZ3 4.24Å; R559-W561 HydrophobicContact CG-CH2 3.79Å; R559-W561 HydrophobicContact CG-CZ2 3.5Å; R559-W561 HydrophobicContact CG-CZ3 4.46Å; R559-W561 PolarHBondContact O-N 2.92Å; R559-W561 VanDerWaalsContact O-N 3.14Å
562	L	93.9	Very high	86.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-91	-11.9	172.7	-62	-176.1	0	0	0	112.9	A109 P111 N143 C144 D145 R559 M560 P564	A109-L562 WeakPolarHBondContact O-CD1 3.38Å; P111-L562 HydrophobicContact CB-CD1 3.72Å; P111-L562 HydrophobicContact CG-CD1 4.2Å; N143-L562 HydrophobicContact CB-CB 4.37Å; N143-L562 HydrophobicContact CB-CD2 4.28Å; N143-L562 PolarHBondContact ND2-O 3.3Å; C144-L562 WeakPolarHBondContact O-CD1 3.2Å; D145-L562 WeakPolarHBondContact O-CD2 3.38Å; R559-L562 HydrophobicContact CB-CD1 3.93Å; R559-L562 HydrophobicContact CB-CG 3.9Å; R559-L562 HydrophobicContact CG-CD1 4.41Å; R559-L562 WeakPolarHBondContact O-CB 3.36Å; R559-L562 PolarHBondContact O-N 3.3Å; M560-L562 PolarHBondContact O-N 2.87Å; L562-P564 WeakPolarHBondContact O-CD 3.47Å
563	K	92.8	Very high	86.5	Confident	10 Å²	10	62.9 Å²	62.9	4%	0.043	33%	0.334	C	S	.	.			trans	-60	124.4	179.8	-76	-59.6	-159.1	-178.4	0	110.3	A109 W243 D244 M560 F569	A109-K563 HydrophobicContact CB-CD 3.45Å; A109-K563 VanDerWaalsContact CB-CD 3.45Å; A109-K563 HydrophobicContact CB-CG 3.8Å; W243-K563 HydrophobicContact CB-CD 3.97Å; W243-K563 HydrophobicContact CB-CG 4.5Å; W243-K563 HydrophobicContact CD2-CG 4.26Å; W243-K563 HydrophobicContact CE3-CD 4.4Å; W243-K563 HydrophobicContact CE3-CG 4.23Å; W243-K563 HydrophobicContact CG-CD 4.42Å; W243-K563 HydrophobicContact CG-CG 4.43Å; D244-K563 IonicContact OD1-NZ 3.69Å; D244-K563 PolarHBondContact OD1-NZ 2.9Å; D244-K563 IonicContact OD2-NZ 2.66Å; D244-K563 PolarHBondContact OD2-NZ 2.94Å; M560-K563 WeakPolarHBondContact O-CB 3.34Å; M560-K563 PolarHBondContact O-N 3.38Å; M560-K563 VanDerWaalsContact O-N 3.16Å; K563-F569 HydrophobicContact CB-CE2 4.28Å
564	P	94.6	Very high	86.6	Confident	2 Å²	2	63 Å²	63	1%	0.013	34%	0.335	C	S	.	.			trans	-65.4	142.5	170.9	27.7	-33.2	0	0	0	109.8	L108 L142 L246 I253 Q256 L562	L108-P564 HydrophobicContact CB-CG 3.86Å; L108-P564 HydrophobicContact CD1-CG 3.61Å; L108-P564 HydrophobicContact CG-CG 4.3Å; L142-P564 HydrophobicContact CD2-CB 4Å; L142-P564 HydrophobicContact CD2-CG 3.86Å; L246-P564 HydrophobicContact CD2-CB 3.92Å; L246-P564 HydrophobicContact CD2-CG 3.49Å; L246-P564 VanDerWaalsContact CD2-CG 3.49Å; I253-P564 HydrophobicContact CD1-CB 3.7Å; Q256-P564 PolarHBondContact NE2-O 3.39Å; L562-P564 WeakPolarHBondContact O-CD 3.47Å
565	C	93.3	Very high	87.2	Confident	24 Å²	24	59 Å²	59	16%	0.162	32%	0.317	C	S	.	.			trans	-152.6	115.3	-175.2	-165.2	0	0	0	0	109.8	F569 C572	C565-F569 HydrophobicContact CB-CB 4.43Å; C565-F569 HydrophobicContact CB-CD2 4.03Å; C565-F569 VanDerWaalsContact SG-CA 3.54Å; C565-C572 VanDerWaalsContact CA-SG 3.53Å; C565-C572 HydrophobicContact CB-CB 3.93Å; C565-C572 WeakPolarHBondContact CB-SG 3.34Å; C565-C572 WeakPolarHBondContact SG-CA 3.26Å; C565-C572 WeakPolarHBondContact SG-CB 3.26Å; C565-C572 CovalentContact SG-SG 2.03Å; C565-C572 PolarHBondContact SG-SG 3.31Å
566	C	92	Very high	87.9	Confident	15 Å²	15	55.3 Å²	55.3	10%	0.101	30%	0.295	C	S	.	.	S	Bend	trans	-84.8	146	160.2	65.8	0	0	0	0	110.1	I253 Q256 C572 L573 C574	I253-C566 HydrophobicContact CB-CB 4.07Å; I253-C566 HydrophobicContact CG2-CB 4.02Å; Q256-C566 WeakPolarHBondContact CB-SG 3.29Å; Q256-C566 PolarHBondContact OE1-SG 3.39Å; C566-C572 CarbonylContact O-C 3.5Å; C566-C572 VanDerWaalsContact O-CA 3.23Å; C566-C572 WeakPolarHBondContact O-CA 3.25Å; C566-L573 PolarHBondContact O-N 2.9Å; C566-L573 VanDerWaalsContact O-N 3.14Å; C566-L573 VanDerWaalsContact SG-C 3.55Å; C566-C574 HydrophobicContact CB-CB 3.77Å; C566-C574 WeakPolarHBondContact CB-SG 3.26Å; C566-C574 WeakPolarHBondContact SG-CB 3.43Å; C566-C574 PolarHBondContact SG-N 2.89Å; C566-C574 CovalentContact SG-SG 2.02Å; C566-C574 PolarHBondContact SG-SG 2.85Å
567	G	86.8	Confident	88.2	Confident	65 Å²	65	54.3 Å²	54.3	67%	0.67	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	80.8	-142.9	-173.3	0	0	0	0	0	112.7
568	V	86.4	Confident	87.6	Confident	110 Å²	110	52.1 Å²	52.1	67%	0.667	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.9	-169.8	-178.6	0	0	0	0	110.2	F571	V568-F571 CarbonylContact O-C 3.56Å; V568-F571 VanDerWaalsContact O-C 3.27Å; V568-F571 VanDerWaalsContact O-CA 3.25Å; V568-F571 WeakPolarHBondContact O-CA 3.5Å; V568-F571 WeakPolarHBondContact O-CB 3.28Å; V568-F571 PolarHBondContact O-N 2.91Å
569	F	86.1	Confident	86.5	Confident	69 Å²	69	56.9 Å²	56.9	30%	0.303	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	133.8	176.8	-176.6	-89.2	0	0	0	112.2	K563 C565	K563-F569 HydrophobicContact CB-CE2 4.28Å; C565-F569 HydrophobicContact CB-CB 4.43Å; C565-F569 HydrophobicContact CB-CD2 4.03Å; C565-F569 VanDerWaalsContact SG-CA 3.54Å
570	P	82.4	Confident	85.1	Confident	20 Å²	20	55.2 Å²	55.2	13%	0.13	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	3.9	5.3	35.4	-34.6	0	0	0	115.5	F234 W243 C572	F234-P570 HydrophobicContact CE2-CG 3.5Å; F234-P570 VanDerWaalsContact CE2-CG 3.5Å; F234-P570 HydrophobicContact CZ-CG 3.74Å; W243-P570 HydrophobicContact CZ2-CB 4.07Å; W243-P570 PolarHBondContact NE1-O 2.9Å; P570-C572 VanDerWaalsContact C-N 3.33Å; P570-C572 PolarHBondContact O-N 3.44Å; P570-C572 PolarHBondContact O-SG 2.91Å; P570-C572 VanDerWaalsContact O-SG 3.37Å
571	F	83.1	Confident	83.5	Confident	62 Å²	62	52.6 Å²	52.6	27%	0.272	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	77.9	178.2	-48.7	-76.1	0	0	0	110.3	W233 F234 Y237 V568 L573	W233-F571 HydrophobicContact CH2-CD1 4.45Å; W233-F571 AromaticContact CH2-CE1 3.54Å; W233-F571 HydrophobicContact CH2-CE1 3.54Å; W233-F571 AromaticContact CH2-CZ 3.72Å; W233-F571 HydrophobicContact CH2-CZ 3.72Å; W233-F571 HydrophobicContact CZ2-CE1 4.28Å; W233-F571 AromaticContact CZ3-CE1 3.79Å; W233-F571 HydrophobicContact CZ3-CE1 3.79Å; W233-F571 AromaticContact CZ3-CZ 3.77Å; W233-F571 HydrophobicContact CZ3-CZ 3.77Å; F234-F571 HydrophobicContact CD2-CE1 4.38Å; F234-F571 HydrophobicContact CD2-CZ 4.04Å; F234-F571 HydrophobicContact CE2-CZ 4.28Å; Y237-F571 HydrophobicContact CD1-CD1 4.14Å; Y237-F571 AromaticContact CD2-CD1 3.79Å; Y237-F571 HydrophobicContact CD2-CD1 3.79Å; Y237-F571 AromaticContact CD2-CE1 3.79Å; Y237-F571 HydrophobicContact CD2-CE1 3.79Å; Y237-F571 HydrophobicContact CE2-CD1 4.3Å; Y237-F571 HydrophobicContact CE2-CE1 4.35Å; Y237-F571 AromaticContact CG-CD1 3.7Å; Y237-F571 HydrophobicContact CG-CD1 3.7Å; Y237-F571 HydrophobicContact CG-CE1 4.1Å; V568-F571 CarbonylContact O-C 3.56Å; V568-F571 VanDerWaalsContact O-C 3.27Å; V568-F571 VanDerWaalsContact O-CA 3.25Å; V568-F571 WeakPolarHBondContact O-CA 3.5Å; V568-F571 WeakPolarHBondContact O-CB 3.28Å; V568-F571 PolarHBondContact O-N 2.91Å; F571-L573 HydrophobicContact CB-CD1 4.14Å; F571-L573 PolarHBondContact O-N 3.44Å
572	C	87.1	Confident	81.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	93.1	-174	-50.7	0	0	0	0	111.1	Q256 C565 C566 P570	Q256-C572 HydrophobicContact CG-CB 4.2Å; C565-C572 VanDerWaalsContact CA-SG 3.53Å; C565-C572 HydrophobicContact CB-CB 3.93Å; C565-C572 WeakPolarHBondContact CB-SG 3.34Å; C565-C572 WeakPolarHBondContact SG-CA 3.26Å; C565-C572 WeakPolarHBondContact SG-CB 3.26Å; C565-C572 CovalentContact SG-SG 2.03Å; C565-C572 PolarHBondContact SG-SG 3.31Å; C566-C572 CarbonylContact O-C 3.5Å; C566-C572 VanDerWaalsContact O-CA 3.23Å; C566-C572 WeakPolarHBondContact O-CA 3.25Å; P570-C572 VanDerWaalsContact C-N 3.33Å; P570-C572 PolarHBondContact O-N 3.44Å; P570-C572 PolarHBondContact O-SG 2.91Å; P570-C572 VanDerWaalsContact O-SG 3.37Å
573	L	88.5	Confident	78.6	Confident	72 Å²	72	57 Å²	57	38%	0.377	32%	0.319	S	S	.	.			trans	-135.1	128	-179.3	-65	101.7	0	0	0	111.9	Y237 Y242 Q256 C566 F571	Y237-L573 HydrophobicContact CD1-CD1 4.39Å; Y237-L573 HydrophobicContact CE1-CD1 4.25Å; Y242-L573 HydrophobicContact CD1-CG 4.34Å; Y242-L573 HydrophobicContact CE1-CD2 4.04Å; Y242-L573 HydrophobicContact CE1-CG 4.29Å; Q256-L573 CarbonylContact O-C 3.09Å; Q256-L573 VanDerWaalsContact O-CA 3.25Å; Q256-L573 WeakPolarHBondContact O-CA 3.24Å; C566-L573 PolarHBondContact O-N 2.9Å; C566-L573 VanDerWaalsContact O-N 3.14Å; C566-L573 VanDerWaalsContact SG-C 3.55Å; F571-L573 HydrophobicContact CB-CD1 4.14Å; F571-L573 PolarHBondContact O-N 3.44Å
574	C	90.6	Very high	76.1	Confident	26 Å²	26	64.1 Å²	64.1	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	152.2	167.9	60.7	0	0	0	0	111.4	E255 Q256 C566	E255-C574 WeakPolarHBondContact CA-O 3.31Å; Q256-C574 PolarHBondContact N-O 3.44Å; Q256-C574 PolarHBondContact O-N 2.88Å; Q256-C574 VanDerWaalsContact O-O 3.13Å; C566-C574 HydrophobicContact CB-CB 3.77Å; C566-C574 WeakPolarHBondContact CB-SG 3.26Å; C566-C574 WeakPolarHBondContact SG-CB 3.43Å; C566-C574 PolarHBondContact SG-N 2.89Å; C566-C574 CovalentContact SG-SG 2.02Å; C566-C574 PolarHBondContact SG-SG 2.85Å
575	D	90.6	Very high	73	Confident	39 Å²	39	67 Å²	67	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	93.9	168.6	-173.3	-15.7	0	0	0	109	K259 R262 E577 E578	K259-D575 IonicContact NZ-OD2 3.95Å; K259-D575 PolarHBondContact NZ-OD2 2.68Å; R262-D575 IonicContact CZ-OD1 2.7Å; R262-D575 IonicContact CZ-OD2 3.48Å; R262-D575 IonicContact NH1-OD2 2.72Å; R262-D575 IonicContact NH2-OD1 3Å; R262-D575 PolarHBondContact NH2-OD1 3.4Å; R262-D575 IonicContact NH2-OD2 3.76Å; R262-D575 PolarHBondContact NH2-OD2 3.45Å; D575-E577 PolarHBondContact OD1-N 3.28Å; D575-E578 PolarHBondContact OD1-N 2.89Å
576	K	90.4	Very high	70.2	Confident	76 Å²	76	71.3 Å²	71.3	33%	0.33	40%	0.404	S	S	.	.			trans	-94.3	-11.9	176.2	-56.9	-174	-176.9	-170.5	0	112.2	E252 T254 L580	E252-K576 IonicContact OE1-NZ 3.71Å; E252-K576 PolarHBondContact OE1-NZ 3.18Å; T254-K576 WeakPolarHBondContact O-CB 3.34Å; T254-K576 PolarHBondContact O-N 3.3Å; K576-L580 WeakPolarHBondContact O-CD1 3.23Å; K576-L580 WeakPolarHBondContact O-CG 3.12Å; K576-L580 PolarHBondContact O-N 2.83Å
577	E	86.2	Confident	67.6	Low	10 Å²	10	78.3 Å²	78.3	5%	0.047	44%	0.44	C	S	.	.	H	α-helix	trans	-71.3	-33.2	-179.3	-65.8	-60.4	154.4	0	0	111.5	R249 T254 E255 I266 D575 S581	R249-E577 IonicContact CZ-OE1 2.77Å; R249-E577 IonicContact NH1-OE1 2.7Å; R249-E577 IonicContact NH2-OE1 3.15Å; R249-E577 PolarHBondContact NH2-OE1 2.77Å; R249-E577 IonicContact NH2-OE2 3.4Å; R249-E577 PolarHBondContact NH2-OE2 3.07Å; R249-E577 VanDerWaalsContact NH2-OE2 3.12Å; T254-E577 WeakPolarHBondContact CB-OE1 2.88Å; T254-E577 PolarHBondContact OG1-OE1 3.34Å; E255-E577 HydrophobicContact CB-CG 4.24Å; I266-E577 HydrophobicContact CD1-CB 4.42Å; I266-E577 HydrophobicContact CD1-CG 4.44Å; D575-E577 PolarHBondContact OD1-N 3.28Å; E577-S581 WeakPolarHBondContact O-CB 3.45Å; E577-S581 PolarHBondContact O-N 3.21Å
578	E	67.9	Low	65.2	Low	87 Å²	87	83.9 Å²	83.9	41%	0.407	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-45	173.2	-73	-172.5	175.1	0	0	112.3	K259 R262 D575 L580 S581 Q582	K259-E578 IonicContact NZ-OE1 3.37Å; K259-E578 PolarHBondContact NZ-OE1 2.9Å; R262-E578 VanDerWaalsContact NH1-CG 3.26Å; R262-E578 IonicContact NH1-OE1 3.87Å; D575-E578 PolarHBondContact OD1-N 2.89Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 2.83Å; E578-S581 PolarHBondContact O-N 3.27Å; E578-S581 PolarHBondContact O-OG 2.87Å; E578-Q582 PolarHBondContact O-N 3.3Å
579	E	59.3	Low	62.8	Low	140 Å²	140	87.8 Å²	87.8	65%	0.654	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-38.6	179.5	-62.5	-178.3	168.4	0	0	111.8	S583	E579-S583 PolarHBondContact O-N 3.42Å
580	L	59.7	Low	60.3	Low	61 Å²	61	99.8 Å²	99.8	32%	0.319	50%	0.5	S	S	.	.	H	α-helix	trans	-72.7	-36.8	178.1	-73.5	162.5	0	0	0	112.4	K576 E578 Q582 S583 Q584	K576-L580 WeakPolarHBondContact O-CD1 3.23Å; K576-L580 WeakPolarHBondContact O-CG 3.12Å; K576-L580 PolarHBondContact O-N 2.83Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-L580 PolarHBondContact O-N 2.83Å; L580-Q582 VanDerWaalsContact C-N 3.26Å; L580-Q582 PolarHBondContact O-N 3.41Å; L580-S583 PolarHBondContact O-N 3.37Å; L580-S583 PolarHBondContact O-OG 2.91Å; L580-Q584 PolarHBondContact O-N 3.43Å
581	S	52.7	Low	59.2	Low	72 Å²	72	103.8 Å²	103.8	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-31.6	175.8	74.5	0	0	0	0	113.1	E577 E578	E577-S581 WeakPolarHBondContact O-CB 3.45Å; E577-S581 PolarHBondContact O-N 3.21Å; E578-S581 PolarHBondContact O-N 3.27Å; E578-S581 PolarHBondContact O-OG 2.87Å
582	Q	40	Very low	57.9	Low	150 Å²	150	105.9 Å²	105.9	70%	0.701	53%	0.532	S	S	*	.	H	α-helix	trans	-78.4	-30.5	177.3	-68.2	177.8	11.5	0	0	112.7	E578 L580 Q584	E578-Q582 PolarHBondContact O-N 3.3Å; L580-Q582 VanDerWaalsContact C-N 3.26Å; L580-Q582 PolarHBondContact O-N 3.41Å; Q582-Q584 VanDerWaalsContact C-N 3.31Å; Q582-Q584 PolarHBondContact O-N 2.93Å
583	S	40.3	Very low	56.3	Low	88 Å²	88	111.8 Å²	111.8	62%	0.615	56%	0.561	S	S	*	*	H	α-helix	trans	-78	-12.4	177.3	69.8	0	0	0	0	114.7	E579 L580	E579-S583 PolarHBondContact O-N 3.42Å; L580-S583 PolarHBondContact O-N 3.37Å; L580-S583 PolarHBondContact O-OG 2.91Å
584	Q	39.9	Very low	54.4	Low	158 Å²	158	114.2 Å²	114.2	74%	0.738	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	1.8	177.5	-68	-175.2	-9.8	0	0	113.8	L580 Q582	L580-Q584 PolarHBondContact O-N 3.43Å; Q582-Q584 VanDerWaalsContact C-N 3.31Å; Q582-Q584 PolarHBondContact O-N 2.93Å
585	A	28.9	Very low	52.1	Low	63 Å²	63	119.7 Å²	119.7	52%	0.521	60%	0.597	S	S	.	*	S	Bend	trans	-67.1	129.5	168.4	0	0	0	0	0	108.7	D587	A585-D587 PolarHBondContact O-N 2.67Å
586	P	36.1	Very low	49.5	Very low	114 Å²	114	125.1 Å²	125.1	74%	0.74	62%	0.623	S	S	*	*			trans	-58.1	135.6	168.7	-5.9	17.4	0	0	0	107.8	E588	P586-E588 PolarHBondContact O-N 3.17Å
587	D	35.7	Very low	46.6	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	64%	0.644	S	S	*	*			trans	-61.1	74.6	168.2	-108.5	-25.3	0	0	0	109.2	A585 K589	A585-D587 PolarHBondContact O-N 2.67Å; D587-K589 PolarHBondContact O-N 3.28Å
588	E	37.5	Very low	43.6	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	69%	0.689	S	S	*	*			trans	-76	72.4	159.9	-92	-166.7	158	0	0	107.9	P586	P586-E588 PolarHBondContact O-N 3.17Å
589	K	36.1	Very low	41.5	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	71%	0.713	S	S	*	*			trans	171.5	86.2	148.2	-94.7	163.1	-171.9	179.5	0	110.1	D587	D587-K589 PolarHBondContact O-N 3.28Å
590	R	32.3	Very low	39.9	Very low	321 Å²	321	142.1 Å²	142.1	100%	1.211	72%	0.718	S	S	*	*				-159.7	0	128.9	-123.4	179.2	-164	-171.2	5.5	113.5

Retrieved 590 of 590 residues in 222.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).