A0A077ZF29_TRITR Loading...

Poly(A) polymerase

Polymerase that creates the 3'-poly(A) tail of mRNA's.

AlphaFold DB , UniProt , Accession A0A077ZF29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	35.2	Very low	236 Å²	236	130.9 Å²	130.9	100%	1.163	84%	0.835	S	S	*	*				0	114.2	0	-78	175.8	171.2	0	0	107.2
2	A	32.7	Very low	35.3	Very low	105 Å²	105	130.1 Å²	130.1	87%	0.868	83%	0.831	S	S	*	*			trans	-68.9	128.7	173	0	0	0	0	0	108.5
3	V	36.2	Very low	35.2	Very low	129 Å²	129	124.5 Å²	124.5	78%	0.782	81%	0.813	S	S	*	*			trans	-115.8	108.4	169.6	-178.3	0	0	0	0	106.9
4	T	39.7	Very low	35.4	Very low	130 Å²	130	124.4 Å²	124.4	80%	0.798	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.7	131.6	170.3	35.6	0	0	0	0	111
5	V	35.9	Very low	35.7	Very low	135 Å²	135	122.1 Å²	122.1	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79	128.7	173.3	-177.2	0	0	0	0	108.7
6	P	37.1	Very low	35.9	Very low	111 Å²	111	123.8 Å²	123.8	72%	0.721	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.4	158.9	178.4	-4.7	20.6	0	0	0	112.4
7	P	34.7	Very low	36.5	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-84.7	153.9	-172.1	34.3	-33.6	0	0	0	113.7
8	D	33.2	Very low	37.3	Very low	172 Å²	172	128.7 Å²	128.7	92%	0.92	80%	0.798	S	S	*	*			trans	-4.6	121.5	164.8	-68.8	-29.4	0	0	0	118.1
9	G	34.2	Very low	38.4	Very low	68 Å²	68	130.6 Å²	130.6	70%	0.701	80%	0.802	S	S	*	*			trans	-162.7	103.5	166	0	0	0	0	0	111.7
10	S	33.9	Very low	39.5	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	79%	0.787	S	S	*	*			trans	65.5	101.1	170.2	58.8	0	0	0	0	117.8	P12	S10-P12 WeakPolarHBondContact O-CD 3.27Å
11	S	34	Very low	41	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-54.1	122.5	155.3	-53.3	0	0	0	0	109.3	G13	S11-G13 PolarHBondContact O-N 3.23Å
12	P	36.2	Very low	43.2	Very low	121 Å²	121	120.1 Å²	120.1	79%	0.786	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.4	128.2	159.5	-10.5	25.7	0	0	0	106.3	S10	S10-P12 WeakPolarHBondContact O-CD 3.27Å
13	G	33.6	Very low	45.7	Very low	58 Å²	58	118.8 Å²	118.8	60%	0.598	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-51.5	153.3	168.5	0	0	0	0	0	109.7	S11 S15	S11-G13 PolarHBondContact O-N 3.23Å; G13-S15 PolarHBondContact O-N 2.93Å
14	P	38.6	Very low	48.3	Very low	122 Å²	122	113.1 Å²	113.1	79%	0.792	69%	0.685	S	S	*	*			trans	-56.2	109.9	177.1	24.4	-31.2	0	0	0	106.9	N16	P14-N16 PolarHBondContact O-N 3.3Å; P14-N16 VanDerWaalsContact O-N 3.1Å
15	S	39.6	Very low	50.8	Low	90 Å²	90	109 Å²	109	63%	0.629	66%	0.658	S	S	*	*			trans	-51.5	120.7	154.8	42.7	0	0	0	0	104.3	G13 E17	G13-S15 PolarHBondContact O-N 2.93Å; S15-E17 PolarHBondContact O-N 3.39Å
16	N	39.3	Very low	53.5	Low	150 Å²	150	105.5 Å²	105.5	80%	0.802	64%	0.636	S	S	*	*			trans	-57.5	82	161.6	-74.9	-20.5	0	0	0	105.9	P14 E18	P14-N16 PolarHBondContact O-N 3.3Å; P14-N16 VanDerWaalsContact O-N 3.1Å; N16-E18 PolarHBondContact O-N 2.76Å
17	E	45.7	Very low	56.1	Low	169 Å²	169	103.3 Å²	103.3	79%	0.79	63%	0.627	S	S	*	*			trans	-62.6	90.1	152.5	-73.9	-174.9	165.4	0	0	102.8	S15 D19	S15-E17 PolarHBondContact O-N 3.39Å; E17-D19 PolarHBondContact O-N 3.03Å; E17-D19 VanDerWaalsContact O-N 3.14Å
18	E	50.6	Low	59	Low	166 Å²	166	98.7 Å²	98.7	78%	0.776	60%	0.597	S	S	*	*			trans	-44.4	124.4	168	-69	178.9	156.4	0	0	106.5	N16 V20	N16-E18 PolarHBondContact O-N 2.76Å; E18-V20 WeakPolarHBondContact O-CG2 3.49Å; E18-V20 PolarHBondContact O-N 2.68Å
19	D	59.3	Low	61.9	Low	166 Å²	166	94.3 Å²	94.3	89%	0.888	57%	0.573	S	S	*	*			trans	-52.2	88.5	178.6	-98.2	-37.7	0	0	0	108.9	E17 P21	E17-D19 PolarHBondContact O-N 3.03Å; E17-D19 VanDerWaalsContact O-N 3.14Å; D19-P21 WeakPolarHBondContact O-CD 3.49Å; D19-P21 VanDerWaalsContact O-N 3.09Å
20	V	59.5	Low	64.8	Low	82 Å²	82	93 Å²	93	50%	0.497	55%	0.553	S	S	.	*			trans	-63.8	116.7	178.3	176.9	0	0	0	0	105.6	E18 Q22 P28 V31	E18-V20 WeakPolarHBondContact O-CG2 3.49Å; E18-V20 PolarHBondContact O-N 2.68Å; V20-Q22 PolarHBondContact O-N 2.88Å; V20-P28 HydrophobicContact CG1-CG 4.12Å; V20-V31 HydrophobicContact CG1-CG1 3.95Å
21	P	70.7	Confident	67.6	Low	74 Å²	74	90.8 Å²	90.8	48%	0.481	53%	0.534	S	S	.	.			trans	-59.3	116	-173.1	-24.7	34.1	0	0	0	110.5	D19 Y23	D19-P21 WeakPolarHBondContact O-CD 3.49Å; D19-P21 VanDerWaalsContact O-N 3.09Å; P21-Y23 HydrophobicContact CB-CD2 4.47Å; P21-Y23 HydrophobicContact CB-CE1 4.49Å; P21-Y23 HydrophobicContact CB-CE2 3.78Å; P21-Y23 WeakPolarHBondContact O-CD2 3.22Å; P21-Y23 WeakPolarHBondContact O-CE2 3.5Å; P21-Y23 PolarHBondContact O-N 3.15Å
22	Q	82.4	Confident	70.4	Confident	121 Å²	121	89.2 Å²	89.2	57%	0.565	52%	0.524	S	S	*	.			trans	-84.3	98.2	177.9	-177.2	171.7	-4.6	0	0	109.8	V20 G24	V20-Q22 PolarHBondContact O-N 2.88Å; Q22-G24 VanDerWaalsContact CG-O 3.23Å; Q22-G24 WeakPolarHBondContact CG-O 3.21Å; Q22-G24 PolarHBondContact NE2-O 3.21Å; Q22-G24 PolarHBondContact O-N 3.18Å
23	Y	86.3	Confident	73	Confident	76 Å²	76	90.1 Å²	90.1	30%	0.298	52%	0.518	S	S	.	.			trans	-76.2	-18	-178.3	-63.9	-82.7	0	0	0	114.7	P21 P218 Q261 P264	P21-Y23 HydrophobicContact CB-CD2 4.47Å; P21-Y23 HydrophobicContact CB-CE1 4.49Å; P21-Y23 HydrophobicContact CB-CE2 3.78Å; P21-Y23 WeakPolarHBondContact O-CD2 3.22Å; P21-Y23 WeakPolarHBondContact O-CE2 3.5Å; P21-Y23 PolarHBondContact O-N 3.15Å; Y23-P218 HydrophobicContact CD1-CB 4.03Å; Y23-P218 HydrophobicContact CD2-CB 4.01Å; Y23-P218 HydrophobicContact CD2-CG 4.44Å; Y23-P218 HydrophobicContact CE1-CB 3.71Å; Y23-P218 HydrophobicContact CE2-CB 3.68Å; Y23-P218 HydrophobicContact CG-CB 4.18Å; Y23-Q261 PolarHBondContact O-NE2 2.57Å; Y23-P264 HydrophobicContact CD2-CB 4.23Å; Y23-P264 HydrophobicContact CE2-CB 3.95Å
24	G	89.2	Confident	75.8	Confident	10 Å²	10	89.1 Å²	89.1	10%	0.103	50%	0.503	C	S	.	.	S	Bend	trans	-147.8	-167.7	-174.5	0	0	0	0	0	114.7	Q22 T26 L290	Q22-G24 VanDerWaalsContact CG-O 3.23Å; Q22-G24 WeakPolarHBondContact CG-O 3.21Å; Q22-G24 PolarHBondContact NE2-O 3.21Å; Q22-G24 PolarHBondContact O-N 3.18Å; G24-T26 PolarHBondContact O-N 3.05Å; G24-L290 WeakPolarHBondContact CA-O 3.48Å
25	I	92.1	Very high	78.5	Confident	45 Å²	45	85.8 Å²	85.8	23%	0.231	48%	0.483	C	S	.	.	S	Bend	trans	-64.7	-11.5	-173.8	59.3	154.7	0	0	0	115.6	L289 N292	I25-L289 HydrophobicContact CD1-CB 4.04Å; I25-L289 HydrophobicContact CG2-CB 4.21Å; I25-N292 VanDerWaalsContact CG2-OD1 3.32Å; I25-N292 WeakPolarHBondContact CG2-OD1 3.45Å
26	T	92.8	Very high	81.1	Confident	61 Å²	61	90.9 Å²	90.9	37%	0.374	49%	0.494	S	S	.	.	S	Bend	trans	-138.6	157.6	178.1	60.5	0	0	0	0	109.1	G24 R258 L262	G24-T26 PolarHBondContact O-N 3.05Å; T26-R258 PolarHBondContact OG1-NH2 3.11Å; T26-L262 WeakPolarHBondContact OG1-CD2 3.09Å
27	A	93.1	Very high	83.8	Confident	64 Å²	64	87.9 Å²	87.9	53%	0.529	48%	0.475	S	S	.	.			trans	-57.7	155	169.8	0	0	0	0	0	111.9
28	P	94.9	Very high	86.2	Confident	27 Å²	27	82.3 Å²	82.3	18%	0.175	45%	0.449	C	S	.	.			trans	-54.1	147	169.3	-25.4	35.5	0	0	0	112.1	V20 V31 P264	V20-P28 HydrophobicContact CG1-CG 4.12Å; P28-V31 HydrophobicContact CB-CG1 3.83Å; P28-V31 HydrophobicContact CG-CG1 4.11Å; P28-P264 HydrophobicContact CB-CG 4.13Å; P28-P264 HydrophobicContact CG-CG 4.09Å
29	I	94.5	Very high	88.4	Confident	81 Å²	81	77.8 Å²	77.8	42%	0.415	43%	0.432	S	S	.	.	S	Bend	trans	-79.5	-37.5	170.9	-67	171.7	0	0	0	109.9	L262 Y263	I29-L262 HydrophobicContact CD1-CB 4.16Å; I29-L262 HydrophobicContact CD1-CD1 4.13Å; I29-L262 HydrophobicContact CD1-CD2 4.13Å; I29-L262 HydrophobicContact CD1-CG 4.37Å; I29-L262 HydrophobicContact CG1-CB 4.31Å; I29-L262 HydrophobicContact CG1-CD2 4.08Å; I29-L262 PolarHBondContact N-O 2.8Å; I29-Y263 HydrophobicContact CB-CE1 3.98Å; I29-Y263 HydrophobicContact CD1-CE2 4.45Å; I29-Y263 HydrophobicContact CG2-CE1 3.93Å
30	S	94.4	Very high	90.1	Very high	39 Å²	39	74.5 Å²	74.5	27%	0.273	41%	0.414	S	S	.	.			trans	-149.1	136.8	175.6	164.8	0	0	0	0	109.9	S32 L262 P264	S30-S32 WeakPolarHBondContact OG-CB 3.36Å; S30-S32 PolarHBondContact OG-N 2.87Å; S30-S32 PolarHBondContact OG-OG 3.04Å; S30-S32 VanDerWaalsContact OG-OG 3.05Å; S30-L262 PolarHBondContact N-O 3.36Å; S30-P264 WeakPolarHBondContact O-CD 3.48Å
31	V	93	Very high	91.9	Very high	69 Å²	69	70.9 Å²	70.9	42%	0.418	39%	0.392	S	S	.	.			trans	-108.8	16.9	173.7	-63	0	0	0	0	111.5	V20 P28 P264 N265	V20-V31 HydrophobicContact CG1-CG1 3.95Å; P28-V31 HydrophobicContact CB-CG1 3.83Å; P28-V31 HydrophobicContact CG-CG1 4.11Å; V31-P264 HydrophobicContact CG1-CG 4.1Å; V31-N265 PolarHBondContact O-ND2 2.87Å
32	S	92.6	Very high	93.2	Very high	83 Å²	83	67.9 Å²	67.9	58%	0.58	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-64.5	137.9	-177.3	-57.7	0	0	0	0	111.3	S30	S30-S32 WeakPolarHBondContact OG-CB 3.36Å; S30-S32 PolarHBondContact OG-N 2.87Å; S30-S32 PolarHBondContact OG-OG 3.04Å; S30-S32 VanDerWaalsContact OG-OG 3.05Å
33	E	91.7	Very high	93.9	Very high	140 Å²	140	65.5 Å²	65.5	65%	0.654	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-70.2	155.3	173.8	-69.5	-56.9	143.4	0	0	112.3	S35 N265	E33-S35 PolarHBondContact O-N 2.81Å; E33-N265 PolarHBondContact OE1-ND2 3.24Å; E33-N265 VanDerWaalsContact OE1-ND2 3.12Å
34	A	92.3	Very high	94.5	Very high	36 Å²	36	66 Å²	66	30%	0.298	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-63.8	128.1	179.7	0	0	0	0	0	112.7	V39 T267	A34-V39 HydrophobicContact CB-CG2 3.87Å; A34-T267 HydrophobicContact CB-CG2 3.23Å
35	S	94.2	Very high	94.9	Very high	52 Å²	52	65.6 Å²	65.6	36%	0.364	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-72.6	156.8	166.5	69	0	0	0	0	111.5	E33 H37 E38 V39	E33-S35 PolarHBondContact O-N 2.81Å; S35-H37 PolarHBondContact O-N 3.01Å; S35-H37 VanDerWaalsContact O-N 3.15Å; S35-E38 WeakPolarHBondContact CB-OE2 3.23Å; S35-E38 PolarHBondContact N-OE2 3.01Å; S35-E38 PolarHBondContact O-N 3.36Å; S35-E38 WeakPolarHBondContact OG-CG 3.24Å; S35-E38 PolarHBondContact OG-N 3.13Å; S35-E38 PolarHBondContact OG-OE2 2.83Å; S35-V39 WeakPolarHBondContact O-CG2 3.49Å; S35-V39 PolarHBondContact O-N 3.46Å
36	K	95	Very high	95.2	Very high	198 Å²	198	65.7 Å²	65.7	86%	0.861	37%	0.371	S	S	*	.	H	α-helix	trans	-55	-35.2	175.7	-66.7	-175.1	179.1	-178.5	0	112.9	L40	K36-L40 PolarHBondContact O-N 3.48Å; K36-L40 VanDerWaalsContact O-N 3.1Å
37	H	95	Very high	95.4	Very high	86 Å²	86	69.7 Å²	69.7	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-44.7	177.5	178.1	-96.1	0	0	0	111.6	S35 V39 L40 Q41 L360	S35-H37 PolarHBondContact O-N 3.01Å; S35-H37 VanDerWaalsContact O-N 3.15Å; H37-V39 VanDerWaalsContact C-N 3.33Å; H37-V39 PolarHBondContact O-N 2.9Å; H37-L40 PolarHBondContact O-N 3.39Å; H37-Q41 PolarHBondContact CE1-NE2 3.26Å; H37-Q41 PolarHBondContact CE1-OE1 2.92Å; H37-Q41 WeakPolarHBondContact O-CG 3.48Å; H37-Q41 PolarHBondContact O-N 3.11Å; H37-L360 PolarHBondContact CE1-O 3.32Å
38	E	95.8	Very high	95.5	Very high	53 Å²	53	68.8 Å²	68.8	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-34	179.2	-69.4	163.7	146.6	0	0	112.6	S35 S42 T267 S269 V270	S35-E38 WeakPolarHBondContact CB-OE2 3.23Å; S35-E38 PolarHBondContact N-OE2 3.01Å; S35-E38 PolarHBondContact O-N 3.36Å; S35-E38 WeakPolarHBondContact OG-CG 3.24Å; S35-E38 PolarHBondContact OG-N 3.13Å; S35-E38 PolarHBondContact OG-OE2 2.83Å; E38-S42 WeakPolarHBondContact O-CB 3.37Å; E38-S42 PolarHBondContact O-N 3.35Å; E38-S42 PolarHBondContact O-OG 3.05Å; E38-T267 HydrophobicContact CB-CG2 4.35Å; E38-T267 PolarHBondContact O-OG1 3.14Å; E38-S269 PolarHBondContact O-OG 3.02Å; E38-V270 HydrophobicContact CB-CG2 3.8Å; E38-V270 VanDerWaalsContact CD-CG2 3.43Å; E38-V270 HydrophobicContact CG-CG2 3.41Å; E38-V270 VanDerWaalsContact CG-CG2 3.41Å; E38-V270 VanDerWaalsContact OE1-CG2 3.24Å; E38-V270 WeakPolarHBondContact OE1-CG2 3.3Å
39	V	96.8	Very high	95.6	Very high	71 Å²	71	67.5 Å²	67.5	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-51.9	171	175.5	0	0	0	0	110.2	A34 S35 H37 Q41 S42 S43 T267	A34-V39 HydrophobicContact CB-CG2 3.87Å; S35-V39 WeakPolarHBondContact O-CG2 3.49Å; S35-V39 PolarHBondContact O-N 3.46Å; H37-V39 VanDerWaalsContact C-N 3.33Å; H37-V39 PolarHBondContact O-N 2.9Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.36Å; V39-S42 WeakPolarHBondContact O-CB 3.24Å; V39-S42 PolarHBondContact O-N 3.44Å; V39-S43 PolarHBondContact O-N 3.06Å; V39-S43 PolarHBondContact O-OG 2.89Å; V39-T267 HydrophobicContact CG2-CG2 4.27Å
40	L	96.6	Very high	95.6	Very high	97 Å²	97	68.6 Å²	68.6	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-44.9	178	176.1	63.3	0	0	0	112.1	K36 H37 S42 S43 Q44	K36-L40 PolarHBondContact O-N 3.48Å; K36-L40 VanDerWaalsContact O-N 3.1Å; H37-L40 PolarHBondContact O-N 3.39Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.89Å; L40-S43 WeakPolarHBondContact O-CB 3.24Å; L40-S43 PolarHBondContact O-N 3.48Å; L40-Q44 WeakPolarHBondContact O-CG 2.9Å; L40-Q44 PolarHBondContact O-N 2.88Å
41	Q	96.6	Very high	95.7	Very high	6 Å²	6	70.4 Å²	70.4	3%	0.028	38%	0.376	C	S	.	.	H	α-helix	trans	-65.5	-30.9	178.1	-71.6	-167.9	-39.5	0	0	113.2	H37 V39 L45 I359 W366	H37-Q41 PolarHBondContact CE1-NE2 3.26Å; H37-Q41 PolarHBondContact CE1-OE1 2.92Å; H37-Q41 WeakPolarHBondContact O-CG 3.48Å; H37-Q41 PolarHBondContact O-N 3.11Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.36Å; Q41-L45 PolarHBondContact O-N 2.78Å; Q41-I359 PolarHBondContact NE2-O 3.43Å; Q41-W366 PolarHBondContact O-NE1 2.88Å
42	S	97.8	Very high	95.7	Very high	11 Å²	11	70 Å²	70	8%	0.077	37%	0.369	C	S	.	.	H	α-helix	trans	-70.9	-40	174.9	-61.5	0	0	0	0	111.2	E38 V39 L40 Q44 L45 D46 T267 S269	E38-S42 WeakPolarHBondContact O-CB 3.37Å; E38-S42 PolarHBondContact O-N 3.35Å; E38-S42 PolarHBondContact O-OG 3.05Å; V39-S42 WeakPolarHBondContact O-CB 3.24Å; V39-S42 PolarHBondContact O-N 3.44Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.89Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.88Å; S42-L45 WeakPolarHBondContact O-CB 3.27Å; S42-L45 PolarHBondContact O-N 2.89Å; S42-D46 WeakPolarHBondContact O-CB 3.42Å; S42-D46 PolarHBondContact O-N 3.28Å; S42-T267 WeakPolarHBondContact OG-CB 3.42Å; S42-T267 PolarHBondContact OG-OG1 3Å; S42-T267 VanDerWaalsContact OG-OG1 3.1Å; S42-S269 WeakPolarHBondContact OG-CB 3.37Å; S42-S269 PolarHBondContact OG-N 3.44Å; S42-S269 VanDerWaalsContact OG-N 3.1Å; S42-S269 PolarHBondContact OG-OG 2.82Å
43	S	97.7	Very high	95.3	Very high	70 Å²	70	70.7 Å²	70.7	49%	0.49	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-42	172.4	-56.1	0	0	0	0	111.8	V39 L40 L45 D46 E47	V39-S43 PolarHBondContact O-N 3.06Å; V39-S43 PolarHBondContact O-OG 2.89Å; L40-S43 WeakPolarHBondContact O-CB 3.24Å; L40-S43 PolarHBondContact O-N 3.48Å; S43-L45 VanDerWaalsContact C-N 3.35Å; S43-L45 PolarHBondContact O-N 3.13Å; S43-D46 PolarHBondContact O-N 3.28Å; S43-E47 WeakPolarHBondContact O-CB 3.4Å; S43-E47 PolarHBondContact O-N 3.39Å
44	Q	97.8	Very high	95.3	Very high	88 Å²	88	64.6 Å²	64.6	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-35.9	175.6	-70.1	174.7	-16.5	0	0	113.1	L40 S42 D46 Y48	L40-Q44 WeakPolarHBondContact O-CG 2.9Å; L40-Q44 PolarHBondContact O-N 2.88Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.88Å; Q44-D46 VanDerWaalsContact C-N 3.35Å; Q44-Y48 WeakPolarHBondContact O-CB 3.31Å; Q44-Y48 PolarHBondContact O-N 3.34Å; Q44-Y48 VanDerWaalsContact O-N 3.1Å
45	L	98.3	Very high	95.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.4	174.2	57.9	0	0	0	110.1	Q41 S42 S43 Y48 L49 L225 A229 P268 V272 W366 F370	Q41-L45 PolarHBondContact O-N 2.78Å; S42-L45 WeakPolarHBondContact O-CB 3.27Å; S42-L45 PolarHBondContact O-N 2.89Å; S43-L45 VanDerWaalsContact C-N 3.35Å; S43-L45 PolarHBondContact O-N 3.13Å; L45-Y48 PolarHBondContact O-N 3.39Å; L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.26Å; L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.69Å; L45-L225 HydrophobicContact CD2-CD2 3.72Å; L45-L225 HydrophobicContact CG-CD2 3.89Å; L45-A229 HydrophobicContact CD1-CB 4.16Å; L45-A229 HydrophobicContact CD2-CB 4.28Å; L45-P268 HydrophobicContact CD2-CB 4.38Å; L45-V272 HydrophobicContact CD2-CG2 4.02Å; L45-W366 HydrophobicContact CB-CD2 3.97Å; L45-W366 HydrophobicContact CB-CG 4.16Å; L45-W366 HydrophobicContact CB-CZ2 4.09Å; L45-W366 HydrophobicContact CD1-CB 4.49Å; L45-W366 HydrophobicContact CD1-CD2 3.75Å; L45-W366 HydrophobicContact CD1-CE3 3.73Å; L45-W366 HydrophobicContact CD1-CG 4.09Å; L45-W366 HydrophobicContact CD1-CZ3 4.23Å; L45-W366 HydrophobicContact CD2-CH2 4.26Å; L45-W366 HydrophobicContact CD2-CZ2 4.32Å; L45-W366 HydrophobicContact CD2-CZ3 4.43Å; L45-W366 HydrophobicContact CG-CD2 4.34Å; L45-F370 HydrophobicContact CD1-CE2 3.94Å; L45-F370 HydrophobicContact CD1-CZ 3.91Å
46	D	97.5	Very high	94.9	Very high	48 Å²	48	63.5 Å²	63.5	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-47	-179.4	-161.6	25.2	0	0	0	112	S42 S43 Q44 Y48 L49 H50 Y55 L225	S42-D46 WeakPolarHBondContact O-CB 3.42Å; S42-D46 PolarHBondContact O-N 3.28Å; S43-D46 PolarHBondContact O-N 3.28Å; Q44-D46 VanDerWaalsContact C-N 3.35Å; D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 3.26Å; D46-L49 WeakPolarHBondContact O-CB 3.38Å; D46-L49 PolarHBondContact O-N 2.95Å; D46-L49 VanDerWaalsContact O-N 3.08Å; D46-H50 PolarHBondContact O-N 2.75Å; D46-H50 PolarHBondContact O-ND1 2.97Å; D46-H50 IonicContact OD1-CE1 2.79Å; D46-H50 PolarHBondContact OD1-CE1 3.5Å; D46-H50 IonicContact OD1-ND1 3.3Å; D46-H50 PolarHBondContact OD1-ND1 2.99Å; D46-H50 IonicContact OD2-CE1 2.63Å; D46-H50 PolarHBondContact OD2-CE1 2.63Å; D46-H50 IonicContact OD2-ND1 3.49Å; D46-Y55 PolarHBondContact OD1-OH 3.37Å; D46-L225 HydrophobicContact CB-CD1 3.85Å
47	E	96.8	Very high	94.6	Very high	145 Å²	145	56.9 Å²	56.9	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-56.5	-44	174.8	-175.4	-176.5	-178.5	0	0	111.4	S43 L49 H50 S51	S43-E47 WeakPolarHBondContact O-CB 3.4Å; S43-E47 PolarHBondContact O-N 3.39Å; E47-L49 PolarHBondContact O-N 2.78Å; E47-H50 PolarHBondContact O-N 2.81Å; E47-S51 PolarHBondContact O-N 3.04Å; E47-S51 VanDerWaalsContact O-N 3.08Å
48	Y	97.2	Very high	94.3	Very high	45 Å²	45	58.6 Å²	58.6	18%	0.176	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43.1	175.7	-176	-89.9	0	0	0	111.7	Q44 L45 D46 H50 S51 Q52 L232 W366 F370	Q44-Y48 WeakPolarHBondContact O-CB 3.31Å; Q44-Y48 PolarHBondContact O-N 3.34Å; Q44-Y48 VanDerWaalsContact O-N 3.1Å; L45-Y48 PolarHBondContact O-N 3.39Å; D46-Y48 VanDerWaalsContact C-N 3.29Å; D46-Y48 PolarHBondContact O-N 3.26Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 3.09Å; Y48-S51 WeakPolarHBondContact O-CB 2.89Å; Y48-S51 PolarHBondContact O-N 3.14Å; Y48-S51 VanDerWaalsContact O-N 3.15Å; Y48-S51 PolarHBondContact O-OG 2.8Å; Y48-Q52 HydrophobicContact CD1-CG 4.06Å; Y48-Q52 HydrophobicContact CE1-CG 3.5Å; Y48-Q52 WeakPolarHBondContact O-CG 3.4Å; Y48-Q52 PolarHBondContact O-N 2.81Å; Y48-L232 HydrophobicContact CE1-CD2 4.37Å; Y48-W366 HydrophobicContact CG-CB 4.3Å; Y48-F370 AromaticContact CD1-CD2 3.4Å; Y48-F370 HydrophobicContact CD1-CD2 3.4Å; Y48-F370 AromaticContact CD1-CE2 3.57Å; Y48-F370 HydrophobicContact CD1-CE2 3.57Å; Y48-F370 HydrophobicContact CD1-CG 4.33Å; Y48-F370 HydrophobicContact CE1-CB 3.8Å; Y48-F370 AromaticContact CE1-CD2 3.03Å; Y48-F370 HydrophobicContact CE1-CD2 3.03Å; Y48-F370 AromaticContact CE1-CE2 3.72Å; Y48-F370 HydrophobicContact CE1-CE2 3.72Å; Y48-F370 AromaticContact CE1-CG 3.61Å; Y48-F370 HydrophobicContact CE1-CG 3.61Å; Y48-F370 HydrophobicContact CG-CD2 4.45Å; Y48-F370 AromaticContact CZ-CD2 3.86Å
49	L	96.7	Very high	94.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-41.8	177.1	-68	171.2	0	0	0	111.2	L45 D46 E47 S51 Q52 V54 Y55 L225 R228 A229 L232 F370	L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.26Å; L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.69Å; D46-L49 WeakPolarHBondContact O-CB 3.38Å; D46-L49 PolarHBondContact O-N 2.95Å; D46-L49 VanDerWaalsContact O-N 3.08Å; E47-L49 PolarHBondContact O-N 2.78Å; L49-S51 PolarHBondContact O-N 3.09Å; L49-Q52 PolarHBondContact O-N 3.21Å; L49-V54 HydrophobicContact CB-CG2 3.84Å; L49-V54 HydrophobicContact CD2-CG2 4.17Å; L49-V54 WeakPolarHBondContact O-CG2 3.5Å; L49-Y55 HydrophobicContact CB-CE2 3.58Å; L49-L225 HydrophobicContact CD1-CD2 3.76Å; L49-L225 HydrophobicContact CD1-CG 4.24Å; L49-R228 HydrophobicContact CD1-CB 4.24Å; L49-A229 HydrophobicContact CD1-CB 4.24Å; L49-A229 HydrophobicContact CD2-CB 4.38Å; L49-L232 HydrophobicContact CD2-CD2 3.73Å; L49-F370 HydrophobicContact CD2-CZ 4.3Å
50	H	94.4	Very high	93.9	Very high	103 Å²	103	61.2 Å²	61.2	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-57.1	-39.9	173.9	-74.2	86.6	0	0	0	111.8	D46 E47 Y48 Q52 D53 Y55	D46-H50 PolarHBondContact O-N 2.75Å; D46-H50 PolarHBondContact O-ND1 2.97Å; D46-H50 IonicContact OD1-CE1 2.79Å; D46-H50 PolarHBondContact OD1-CE1 3.5Å; D46-H50 IonicContact OD1-ND1 3.3Å; D46-H50 PolarHBondContact OD1-ND1 2.99Å; D46-H50 IonicContact OD2-CE1 2.63Å; D46-H50 PolarHBondContact OD2-CE1 2.63Å; D46-H50 IonicContact OD2-ND1 3.49Å; E47-H50 PolarHBondContact O-N 2.81Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 3.09Å; H50-Q52 PolarHBondContact O-N 3.02Å; H50-Q52 VanDerWaalsContact O-N 3.17Å; H50-D53 PolarHBondContact O-N 3.24Å; H50-Y55 HydrophobicContact CB-CD2 4.32Å; H50-Y55 HydrophobicContact CB-CE2 4.4Å; H50-Y55 AromaticContact CD2-CD2 3.63Å; H50-Y55 AromaticContact CD2-CE2 3.93Å; H50-Y55 AromaticContact CE1-CD2 3.99Å; H50-Y55 AromaticContact CE1-CE2 3.55Å; H50-Y55 AromaticContact CE1-CZ 3.69Å; H50-Y55 AromaticContact CG-CD2 3.71Å; H50-Y55 AromaticContact CG-CE2 3.68Å; H50-Y55 AromaticContact ND1-CD2 3.93Å; H50-Y55 AromaticContact ND1-CE2 3.42Å; H50-Y55 WeakPolarHBondContact ND1-CE2 3.48Å; H50-Y55 AromaticContact ND1-CZ 3.95Å; H50-Y55 AromaticContact NE2-CD2 3.82Å; H50-Y55 AromaticContact NE2-CE2 3.85Å; H50-Y55 AromaticContact NE2-CG 3.99Å
51	S	94.8	Very high	93.6	Very high	77 Å²	77	59.3 Å²	59.3	54%	0.538	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.5	175.9	83.9	0	0	0	0	115	E47 Y48 L49	E47-S51 PolarHBondContact O-N 3.04Å; E47-S51 VanDerWaalsContact O-N 3.08Å; Y48-S51 WeakPolarHBondContact O-CB 2.89Å; Y48-S51 PolarHBondContact O-N 3.14Å; Y48-S51 VanDerWaalsContact O-N 3.15Å; Y48-S51 PolarHBondContact O-OG 2.8Å; L49-S51 PolarHBondContact O-N 3.09Å
52	Q	93	Very high	93.5	Very high	60 Å²	60	62.2 Å²	62.2	28%	0.28	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.8	-177.7	-63.6	-61.7	-70.3	0	0	113.4	Y48 L49 H50 V54 L232	Y48-Q52 HydrophobicContact CD1-CG 4.06Å; Y48-Q52 HydrophobicContact CE1-CG 3.5Å; Y48-Q52 WeakPolarHBondContact O-CG 3.4Å; Y48-Q52 PolarHBondContact O-N 2.81Å; L49-Q52 PolarHBondContact O-N 3.21Å; H50-Q52 PolarHBondContact O-N 3.02Å; H50-Q52 VanDerWaalsContact O-N 3.17Å; Q52-V54 VanDerWaalsContact C-N 3.25Å; Q52-V54 HydrophobicContact CB-CG1 4.21Å; Q52-V54 PolarHBondContact O-N 3.11Å; Q52-L232 HydrophobicContact CB-CD2 4.02Å; Q52-L232 HydrophobicContact CG-CD2 3.96Å
53	D	86.2	Confident	93.3	Very high	98 Å²	98	65.2 Å²	65.2	52%	0.524	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	37.3	177.2	-157.5	31.5	0	0	0	113.1	H50	H50-D53 PolarHBondContact O-N 3.24Å
54	V	89.9	Confident	93.2	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.079	32%	0.318	C	S	.	.			trans	-96.5	6.7	177.5	-54.8	0	0	0	0	113.6	L49 Q52 T112 R228 L232	L49-V54 HydrophobicContact CB-CG2 3.84Å; L49-V54 HydrophobicContact CD2-CG2 4.17Å; L49-V54 WeakPolarHBondContact O-CG2 3.5Å; Q52-V54 VanDerWaalsContact C-N 3.25Å; Q52-V54 HydrophobicContact CB-CG1 4.21Å; Q52-V54 PolarHBondContact O-N 3.11Å; V54-T112 HydrophobicContact CB-CG2 4.22Å; V54-R228 PolarHBondContact O-NE 2.79Å; V54-L232 HydrophobicContact CG1-CD1 4.3Å; V54-L232 HydrophobicContact CG1-CD2 4.48Å
55	Y	90.3	Very high	93.1	Very high	41 Å²	41	63.2 Å²	63.2	16%	0.161	32%	0.324	C	S	.	.	S	Bend	trans	-114.8	150.3	174.2	-65	-85.4	0	0	0	109.3	D46 L49 H50 R228	D46-Y55 PolarHBondContact OD1-OH 3.37Å; L49-Y55 HydrophobicContact CB-CE2 3.58Å; H50-Y55 HydrophobicContact CB-CD2 4.32Å; H50-Y55 HydrophobicContact CB-CE2 4.4Å; H50-Y55 AromaticContact CD2-CD2 3.63Å; H50-Y55 AromaticContact CD2-CE2 3.93Å; H50-Y55 AromaticContact CE1-CD2 3.99Å; H50-Y55 AromaticContact CE1-CE2 3.55Å; H50-Y55 AromaticContact CE1-CZ 3.69Å; H50-Y55 AromaticContact CG-CD2 3.71Å; H50-Y55 AromaticContact CG-CE2 3.68Å; H50-Y55 AromaticContact ND1-CD2 3.93Å; H50-Y55 AromaticContact ND1-CE2 3.42Å; H50-Y55 WeakPolarHBondContact ND1-CE2 3.48Å; H50-Y55 AromaticContact ND1-CZ 3.95Å; H50-Y55 AromaticContact NE2-CD2 3.82Å; H50-Y55 AromaticContact NE2-CE2 3.85Å; H50-Y55 AromaticContact NE2-CG 3.99Å; Y55-R228 VanDerWaalsContact CE1-CD 3.49Å
56	E	87.9	Confident	93	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.112	34%	0.339	C	S	.	.			trans	-90.2	157.7	169.4	-65.7	-154.6	136.4	0	0	110.4	E60 L61 R64 H111	E56-E60 WeakPolarHBondContact CA-OE2 3.24Å; E56-E60 HydrophobicContact CB-CB 4.19Å; E56-L61 HydrophobicContact CB-CD2 4.34Å; E56-L61 HydrophobicContact CB-CG 4.24Å; E56-R64 IonicContact OE1-CZ 3.82Å; E56-R64 IonicContact OE1-NE 2.64Å; E56-R64 PolarHBondContact OE1-NE 3.15Å; E56-R64 IonicContact OE1-NH2 2.71Å; E56-R64 PolarHBondContact OE1-NH2 3.43Å; E56-R64 VanDerWaalsContact OE2-CD 3.22Å; E56-R64 WeakPolarHBondContact OE2-CD 3.42Å; E56-R64 IonicContact OE2-CZ 3.7Å; E56-R64 IonicContact OE2-NE 2.79Å; E56-R64 PolarHBondContact OE2-NE 2.97Å; E56-R64 IonicContact OE2-NH2 3.18Å; E56-H111 IonicContact OE1-CD2 3.43Å; E56-H111 IonicContact OE2-CD2 2.74Å; E56-H111 PolarHBondContact OE2-CD2 3.04Å; E56-H111 IonicContact OE2-NE2 3.76Å; E56-H111 PolarHBondContact OE2-NE2 3.34Å
57	T	89.8	Confident	93	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.362	33%	0.327	S	S	.	.			trans	-79.4	161.1	171.4	82.8	0	0	0	0	111.1	E59 E60 L61	T57-E59 WeakPolarHBondContact CB-OE2 3.06Å; T57-E59 PolarHBondContact O-N 3.18Å; T57-E59 PolarHBondContact OG1-N 2.61Å; T57-E59 PolarHBondContact OG1-OE2 2.92Å; T57-E60 PolarHBondContact N-OE2 3.24Å; T57-E60 PolarHBondContact O-N 3.42Å; T57-E60 PolarHBondContact OG1-N 3.39Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.46Å
58	D	89.2	Confident	93	Very high	121 Å²	121	58.5 Å²	58.5	65%	0.647	30%	0.301	S	S	*	.	H	α-helix	trans	-61.6	-30.5	177.6	-70.5	-28.5	0	0	0	112.1	S62	D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.09Å; D58-S62 PolarHBondContact O-OG 3.07Å
59	E	91.2	Very high	93	Very high	136 Å²	136	62.7 Å²	62.7	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-45.4	174.7	-60.3	74.4	-160.7	0	0	111.6	T57 S62 Q63	T57-E59 WeakPolarHBondContact CB-OE2 3.06Å; T57-E59 PolarHBondContact O-N 3.18Å; T57-E59 PolarHBondContact OG1-N 2.61Å; T57-E59 PolarHBondContact OG1-OE2 2.92Å; E59-S62 PolarHBondContact O-N 3.5Å; E59-Q63 WeakPolarHBondContact O-CB 3.46Å; E59-Q63 PolarHBondContact O-N 3.18Å
60	E	91.4	Very high	93	Very high	43 Å²	43	65.1 Å²	65.1	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176.6	-67.9	176.1	144.2	0	0	110.7	E56 T57 S62 Q63 R64 K113	E56-E60 WeakPolarHBondContact CA-OE2 3.24Å; E56-E60 HydrophobicContact CB-CB 4.19Å; T57-E60 PolarHBondContact N-OE2 3.24Å; T57-E60 PolarHBondContact O-N 3.42Å; T57-E60 PolarHBondContact OG1-N 3.39Å; E60-S62 VanDerWaalsContact C-N 3.33Å; E60-S62 PolarHBondContact O-N 3.18Å; E60-Q63 PolarHBondContact O-N 3.11Å; E60-R64 VanDerWaalsContact O-CG 3.31Å; E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.43Å; E60-K113 WeakPolarHBondContact OE1-CE 3.27Å; E60-K113 WeakPolarHBondContact OE1-CG 3.4Å
61	L	91.3	Very high	93.2	Very high	57 Å²	57	60.2 Å²	60.2	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-43.7	174.9	-70.3	174	0	0	0	111.9	E56 T57 R64 M65	E56-L61 HydrophobicContact CB-CD2 4.34Å; E56-L61 HydrophobicContact CB-CG 4.24Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.46Å; L61-R64 PolarHBondContact O-N 3.22Å; L61-M65 WeakPolarHBondContact O-CG 3.29Å; L61-M65 PolarHBondContact O-N 2.9Å
62	S	94	Very high	93.3	Very high	67 Å²	67	58.4 Å²	58.4	47%	0.469	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-42.2	177.3	-61.8	0	0	0	0	111.7	D58 E59 E60 M65 E66	D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.09Å; D58-S62 PolarHBondContact O-OG 3.07Å; E59-S62 PolarHBondContact O-N 3.5Å; E60-S62 VanDerWaalsContact C-N 3.33Å; E60-S62 PolarHBondContact O-N 3.18Å; S62-M65 PolarHBondContact O-N 3.48Å; S62-E66 PolarHBondContact O-N 3.07Å
63	Q	94.7	Very high	93.4	Very high	74 Å²	74	58.4 Å²	58.4	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-44.8	175.9	-165.3	-177.4	19.2	0	0	111.6	E59 E60 M65 E66 V67 D165 I167	E59-Q63 WeakPolarHBondContact O-CB 3.46Å; E59-Q63 PolarHBondContact O-N 3.18Å; E60-Q63 PolarHBondContact O-N 3.11Å; Q63-M65 VanDerWaalsContact C-N 3.33Å; Q63-M65 PolarHBondContact O-N 2.73Å; Q63-E66 PolarHBondContact O-N 3.46Å; Q63-V67 WeakPolarHBondContact O-CG2 3.35Å; Q63-V67 PolarHBondContact O-N 3.48Å; Q63-D165 PolarHBondContact NE2-O 3Å; Q63-D165 PolarHBondContact NE2-OD2 2.96Å; Q63-I167 HydrophobicContact CB-CD1 4.21Å; Q63-I167 HydrophobicContact CG-CD1 3.79Å
64	R	95.1	Very high	94	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-42	176.1	-68.4	-177.4	-179.2	-83.1	2.1	112.3	E56 E60 L61 V67 L68 Y106 A115 I117 I167	E56-R64 IonicContact OE1-CZ 3.82Å; E56-R64 IonicContact OE1-NE 2.64Å; E56-R64 PolarHBondContact OE1-NE 3.15Å; E56-R64 IonicContact OE1-NH2 2.71Å; E56-R64 PolarHBondContact OE1-NH2 3.43Å; E56-R64 VanDerWaalsContact OE2-CD 3.22Å; E56-R64 WeakPolarHBondContact OE2-CD 3.42Å; E56-R64 IonicContact OE2-CZ 3.7Å; E56-R64 IonicContact OE2-NE 2.79Å; E56-R64 PolarHBondContact OE2-NE 2.97Å; E56-R64 IonicContact OE2-NH2 3.18Å; E60-R64 VanDerWaalsContact O-CG 3.31Å; E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.43Å; L61-R64 PolarHBondContact O-N 3.22Å; R64-V67 PolarHBondContact O-N 2.96Å; R64-L68 WeakPolarHBondContact O-CG 3.31Å; R64-L68 PolarHBondContact O-N 3.49Å; R64-Y106 HydrophobicContact CB-CE2 4.12Å; R64-Y106 HydrophobicContact CG-CE2 4.48Å; R64-A115 VanDerWaalsContact CZ-O 3.28Å; R64-A115 PolarHBondContact NH1-O 3.1Å; R64-A115 PolarHBondContact NH2-O 2.92Å; R64-I117 HydrophobicContact CB-CD1 3.95Å; R64-I117 HydrophobicContact CG-CD1 3.89Å; R64-I167 HydrophobicContact CB-CD1 4.38Å; R64-I167 HydrophobicContact CG-CD1 3.76Å
65	M	95.2	Very high	94.4	Very high	110 Å²	110	54 Å²	54	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-42.3	176.7	-72.9	-172.2	-68.5	0	0	111.9	L61 S62 Q63 L68 R69	L61-M65 WeakPolarHBondContact O-CG 3.29Å; L61-M65 PolarHBondContact O-N 2.9Å; S62-M65 PolarHBondContact O-N 3.48Å; Q63-M65 VanDerWaalsContact C-N 3.33Å; Q63-M65 PolarHBondContact O-N 2.73Å; M65-L68 PolarHBondContact O-N 3.04Å; M65-R69 WeakPolarHBondContact O-CB 3.36Å; M65-R69 PolarHBondContact O-N 3.2Å
66	E	96.6	Very high	94.7	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-42.5	178.5	178.1	54.7	-162.2	0	0	112.1	S62 Q63 L68 R69 K70	S62-E66 PolarHBondContact O-N 3.07Å; Q63-E66 PolarHBondContact O-N 3.46Å; E66-L68 PolarHBondContact O-N 2.86Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.88Å; E66-R69 IonicContact OE1-CZ 3.34Å; E66-R69 IonicContact OE1-NE 3.23Å; E66-R69 IonicContact OE1-NH2 2.69Å; E66-R69 PolarHBondContact OE1-NH2 3.41Å; E66-R69 IonicContact OE2-CZ 3.66Å; E66-R69 IonicContact OE2-NE 2.95Å; E66-R69 PolarHBondContact OE2-NE 3Å; E66-R69 IonicContact OE2-NH2 3.57Å; E66-R69 PolarHBondContact OE2-NH2 3.45Å; E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.18Å; E66-K70 WeakPolarHBondContact OE1-CE 3.38Å
67	V	97	Very high	95.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-46.9	174.8	167.7	0	0	0	0	111.5	Q63 R64 R69 K70 I71 F164 D165 I167 L169	Q63-V67 WeakPolarHBondContact O-CG2 3.35Å; Q63-V67 PolarHBondContact O-N 3.48Å; R64-V67 PolarHBondContact O-N 2.96Å; V67-R69 VanDerWaalsContact C-N 3.32Å; V67-R69 PolarHBondContact O-N 3.12Å; V67-K70 PolarHBondContact O-N 3.18Å; V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 WeakPolarHBondContact O-CB 3.43Å; V67-I71 WeakPolarHBondContact O-CG1 3.35Å; V67-I71 PolarHBondContact O-N 2.98Å; V67-F164 HydrophobicContact CB-CD1 4.38Å; V67-F164 HydrophobicContact CG1-CB 3.88Å; V67-F164 HydrophobicContact CG1-CD1 3.88Å; V67-F164 HydrophobicContact CG1-CG 3.92Å; V67-F164 HydrophobicContact CG2-CD1 3.91Å; V67-D165 HydrophobicContact CG2-CB 3.85Å; V67-I167 HydrophobicContact CB-CD1 4.41Å; V67-I167 HydrophobicContact CG2-CD1 3.91Å; V67-L169 HydrophobicContact CG1-CD1 3.6Å
68	L	97.1	Very high	95.6	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-38.4	176.8	-72.7	172	0	0	0	112.4	R64 M65 E66 N72 T102 Y106 I117 T119	R64-L68 WeakPolarHBondContact O-CG 3.31Å; R64-L68 PolarHBondContact O-N 3.49Å; M65-L68 PolarHBondContact O-N 3.04Å; E66-L68 PolarHBondContact O-N 2.86Å; L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.12Å; L68-T102 HydrophobicContact CD1-CG2 3.74Å; L68-T102 HydrophobicContact CD2-CG2 3.69Å; L68-T102 HydrophobicContact CG-CG2 4.39Å; L68-Y106 HydrophobicContact CD1-CE1 3.63Å; L68-I117 HydrophobicContact CD2-CG2 4.27Å; L68-T119 HydrophobicContact CD2-CG2 3.84Å
69	R	96.9	Very high	96	Very high	132 Å²	132	49.6 Å²	49.6	50%	0.498	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-49.5	175.6	-170	-164.9	68.8	75.7	2.3	111.1	M65 E66 V67 I71 N72 V73	M65-R69 WeakPolarHBondContact O-CB 3.36Å; M65-R69 PolarHBondContact O-N 3.2Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.88Å; E66-R69 IonicContact OE1-CZ 3.34Å; E66-R69 IonicContact OE1-NE 3.23Å; E66-R69 IonicContact OE1-NH2 2.69Å; E66-R69 PolarHBondContact OE1-NH2 3.41Å; E66-R69 IonicContact OE2-CZ 3.66Å; E66-R69 IonicContact OE2-NE 2.95Å; E66-R69 PolarHBondContact OE2-NE 3Å; E66-R69 IonicContact OE2-NH2 3.57Å; E66-R69 PolarHBondContact OE2-NH2 3.45Å; V67-R69 VanDerWaalsContact C-N 3.32Å; V67-R69 PolarHBondContact O-N 3.12Å; R69-I71 PolarHBondContact O-N 3.43Å; R69-N72 PolarHBondContact O-N 3.49Å; R69-V73 WeakPolarHBondContact O-CG2 3.42Å; R69-V73 PolarHBondContact O-N 2.92Å; R69-V73 VanDerWaalsContact O-N 3.09Å
70	K	97.7	Very high	96.3	Very high	52 Å²	52	46 Å²	46	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-46.2	177.5	-73.1	-178.9	177.7	-172.4	0	111.7	E66 V67 N72 V73 L74 E145 F164	E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.18Å; E66-K70 WeakPolarHBondContact OE1-CE 3.38Å; V67-K70 PolarHBondContact O-N 3.18Å; K70-N72 PolarHBondContact O-N 3.38Å; K70-V73 WeakPolarHBondContact O-CB 3.44Å; K70-V73 PolarHBondContact O-N 3.3Å; K70-L74 WeakPolarHBondContact O-CG 3.34Å; K70-L74 PolarHBondContact O-N 2.93Å; K70-E145 IonicContact NZ-OE1 2.85Å; K70-E145 PolarHBondContact NZ-OE1 3.12Å; K70-F164 HydrophobicContact CB-CE1 4.29Å; K70-F164 HydrophobicContact CB-CZ 3.98Å; K70-F164 HydrophobicContact CD-CE1 3.82Å; K70-F164 HydrophobicContact CD-CZ 4.1Å
71	I	97.5	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-44.3	177.5	-75.7	171.5	0	0	0	111.6	V67 R69 V73 L74 V75 V100 M162 F164 L169 M171	V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 WeakPolarHBondContact O-CB 3.43Å; V67-I71 WeakPolarHBondContact O-CG1 3.35Å; V67-I71 PolarHBondContact O-N 2.98Å; R69-I71 PolarHBondContact O-N 3.43Å; I71-V73 VanDerWaalsContact C-N 3.29Å; I71-V73 PolarHBondContact O-N 3.31Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-V75 WeakPolarHBondContact O-CG2 3.27Å; I71-V75 PolarHBondContact O-N 2.97Å; I71-V100 HydrophobicContact CG2-CG1 4.2Å; I71-V100 HydrophobicContact CG2-CG2 4.05Å; I71-M162 HydrophobicContact CD1-CE 4.29Å; I71-F164 HydrophobicContact CD1-CD2 3.99Å; I71-F164 HydrophobicContact CD1-CG 4.4Å; I71-F164 HydrophobicContact CG1-CD2 3.84Å; I71-F164 HydrophobicContact CG1-CE2 3.86Å; I71-L169 HydrophobicContact CD1-CD1 3.52Å; I71-L169 HydrophobicContact CD1-CD2 3.94Å; I71-L169 HydrophobicContact CD1-CG 4.36Å; I71-M171 HydrophobicContact CB-CE 4.48Å; I71-M171 HydrophobicContact CD1-CE 4.08Å; I71-M171 HydrophobicContact CG1-CE 4.43Å; I71-M171 HydrophobicContact CG2-CE 3.31Å
72	N	96.4	Very high	96.9	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-37.9	178.2	-173.3	73.6	0	0	0	111.9	L68 R69 K70 R76 V100	L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.12Å; R69-N72 PolarHBondContact O-N 3.49Å; K70-N72 PolarHBondContact O-N 3.38Å; N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.06Å; N72-R76 VanDerWaalsContact O-N 3.13Å; N72-V100 HydrophobicContact CB-CG2 4.49Å; N72-V100 PolarHBondContact OD1-N 3.14Å
73	V	96.8	Very high	97.1	Very high	61 Å²	61	42.5 Å²	42.5	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-63.7	-45.6	173.2	172.5	0	0	0	0	111.3	R69 K70 I71 V75 R76 N77	R69-V73 WeakPolarHBondContact O-CG2 3.42Å; R69-V73 PolarHBondContact O-N 2.92Å; R69-V73 VanDerWaalsContact O-N 3.09Å; K70-V73 WeakPolarHBondContact O-CB 3.44Å; K70-V73 PolarHBondContact O-N 3.3Å; I71-V73 VanDerWaalsContact C-N 3.29Å; I71-V73 PolarHBondContact O-N 3.31Å; V73-V75 PolarHBondContact O-N 2.82Å; V73-R76 PolarHBondContact O-N 3.34Å; V73-N77 WeakPolarHBondContact O-CB 3.5Å; V73-N77 PolarHBondContact O-N 3.32Å; V73-N77 PolarHBondContact O-ND2 2.93Å
74	L	98	Very high	97.3	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-45.7	177.5	-70.2	170.9	0	0	0	111.9	K70 I71 R76 W78 F136 L139 L140 Q143 F164	K70-L74 WeakPolarHBondContact O-CG 3.34Å; K70-L74 PolarHBondContact O-N 2.93Å; I71-L74 PolarHBondContact O-N 2.95Å; L74-R76 PolarHBondContact O-N 3.45Å; L74-W78 WeakPolarHBondContact O-CB 3.4Å; L74-W78 PolarHBondContact O-N 3.29Å; L74-F136 HydrophobicContact CB-CE2 4.23Å; L74-L139 HydrophobicContact CD2-CD2 4.35Å; L74-L139 HydrophobicContact CD2-CG 4.42Å; L74-L140 HydrophobicContact CD1-CD2 4.22Å; L74-Q143 HydrophobicContact CD1-CG 3.88Å; L74-Q143 HydrophobicContact CD2-CG 4.33Å; L74-F164 HydrophobicContact CD1-CE2 4Å; L74-F164 HydrophobicContact CD1-CZ 4.43Å
75	V	98.1	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-45.6	178.5	166.1	0	0	0	0	111.2	I71 V73 W78 I79 V100 F136	I71-V75 WeakPolarHBondContact O-CG2 3.27Å; I71-V75 PolarHBondContact O-N 2.97Å; V73-V75 PolarHBondContact O-N 2.82Å; V75-W78 PolarHBondContact O-N 2.77Å; V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.49Å; V75-I79 WeakPolarHBondContact O-CB 3.39Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.36Å; V75-I79 PolarHBondContact O-N 3.33Å; V75-V100 HydrophobicContact CB-CG2 3.98Å; V75-V100 HydrophobicContact CG1-CG2 4.21Å; V75-V100 HydrophobicContact CG2-CG2 3.62Å; V75-F136 HydrophobicContact CB-CE2 4.48Å; V75-F136 HydrophobicContact CG2-CE1 4.18Å; V75-F136 HydrophobicContact CG2-CE2 3.76Å; V75-F136 HydrophobicContact CG2-CZ 3.39Å
76	R	97.3	Very high	97.3	Very high	69 Å²	69	48 Å²	48	26%	0.26	22%	0.221	S	C	.	.	H	α-helix	trans	-68.5	-44.7	-179.3	-74	-171.8	180	174.5	9.2	113.4	N72 V73 L74 W78 I79 R80 G98 E183	N72-R76 WeakPolarHBondContact O-CG 3.26Å; N72-R76 PolarHBondContact O-N 3.06Å; N72-R76 VanDerWaalsContact O-N 3.13Å; V73-R76 PolarHBondContact O-N 3.34Å; L74-R76 PolarHBondContact O-N 3.45Å; R76-W78 VanDerWaalsContact C-N 3.29Å; R76-W78 PolarHBondContact O-N 3.29Å; R76-I79 PolarHBondContact O-N 3.45Å; R76-R80 WeakPolarHBondContact O-CB 3.22Å; R76-R80 PolarHBondContact O-N 3.41Å; R76-G98 PolarHBondContact NE-O 2.71Å; R76-E183 IonicContact CZ-OE1 2.8Å; R76-E183 IonicContact NH1-OE1 2.66Å; R76-E183 PolarHBondContact NH1-OE1 3.2Å; R76-E183 VanDerWaalsContact NH2-CD 3.3Å; R76-E183 IonicContact NH2-OE1 2.88Å; R76-E183 PolarHBondContact NH2-OE1 2.94Å
77	N	97.2	Very high	97.3	Very high	70 Å²	70	51.9 Å²	51.9	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-44.4	176.3	-72.7	-17.4	0	0	0	110.7	V73 R80 D81	V73-N77 WeakPolarHBondContact O-CB 3.5Å; V73-N77 PolarHBondContact O-N 3.32Å; V73-N77 PolarHBondContact O-ND2 2.93Å; N77-R80 PolarHBondContact O-N 3.14Å; N77-D81 WeakPolarHBondContact O-CB 3.46Å; N77-D81 PolarHBondContact O-N 3.03Å
78	W	98.4	Very high	97.2	Very high	13 Å²	13	53.7 Å²	53.7	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-47.6	175.9	169	63.3	0	0	0	112.7	L74 V75 R76 R80 D81 L82 I127 D131 F132 S135 F136 L139 F173	L74-W78 WeakPolarHBondContact O-CB 3.4Å; L74-W78 PolarHBondContact O-N 3.29Å; V75-W78 PolarHBondContact O-N 2.77Å; R76-W78 VanDerWaalsContact C-N 3.29Å; R76-W78 PolarHBondContact O-N 3.29Å; W78-R80 VanDerWaalsContact C-N 3.35Å; W78-R80 PolarHBondContact O-N 2.85Å; W78-D81 PolarHBondContact O-N 3.19Å; W78-L82 HydrophobicContact CZ2-CD2 3.9Å; W78-L82 VanDerWaalsContact O-CB 3.29Å; W78-L82 WeakPolarHBondContact O-CB 3.35Å; W78-L82 PolarHBondContact O-N 2.93Å; W78-I127 HydrophobicContact CH2-CG2 3.35Å; W78-I127 HydrophobicContact CZ2-CG2 3.94Å; W78-I127 HydrophobicContact CZ3-CG2 3.92Å; W78-D131 HydrophobicContact CH2-CB 4.43Å; W78-D131 HydrophobicContact CZ2-CB 3.71Å; W78-F132 HydrophobicContact CH2-CB 4Å; W78-S135 PolarHBondContact NE1-OG 3.47Å; W78-F136 HydrophobicContact CB-CD2 3.84Å; W78-F136 HydrophobicContact CB-CE2 4.34Å; W78-F136 HydrophobicContact CD2-CB 3.7Å; W78-F136 AromaticContact CD2-CD2 3.59Å; W78-F136 HydrophobicContact CD2-CD2 3.59Å; W78-F136 AromaticContact CD2-CG 3.91Å; W78-F136 HydrophobicContact CD2-CG 3.91Å; W78-F136 HydrophobicContact CE3-CB 4.09Å; W78-F136 AromaticContact CE3-CD2 3.7Å; W78-F136 HydrophobicContact CE3-CD2 3.7Å; W78-F136 HydrophobicContact CE3-CE2 4.38Å; W78-F136 AromaticContact CE3-CG 3.96Å; W78-F136 HydrophobicContact CE3-CG 3.96Å; W78-F136 HydrophobicContact CG-CB 4.15Å; W78-F136 AromaticContact CG-CD2 3.61Å; W78-F136 HydrophobicContact CG-CD2 3.61Å; W78-F136 HydrophobicContact CG-CG 4.3Å; W78-F136 HydrophobicContact CH2-CB 4.19Å; W78-F136 HydrophobicContact CZ2-CB 3.81Å; W78-F136 HydrophobicContact CZ3-CB 4.32Å; W78-F136 HydrophobicContact CZ3-CG 4.35Å; W78-L139 HydrophobicContact CB-CD2 3.82Å; W78-L139 HydrophobicContact CG-CD2 4.48Å; W78-F173 HydrophobicContact CH2-CE2 4.33Å
79	I	98.3	Very high	97.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-42.8	178.1	-70.7	168.3	0	0	0	110.7	V75 R76 S83 V96 G97 A123 I127	V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 HydrophobicContact CG1-CG1 4.49Å; V75-I79 WeakPolarHBondContact O-CB 3.39Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.36Å; V75-I79 PolarHBondContact O-N 3.33Å; R76-I79 PolarHBondContact O-N 3.45Å; I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.47Å; I79-S83 PolarHBondContact O-N 3.16Å; I79-S83 PolarHBondContact O-OG 3.39Å; I79-V96 HydrophobicContact CG2-CG2 3.65Å; I79-G97 WeakPolarHBondContact CG2-O 3.42Å; I79-A123 HydrophobicContact CD1-CB 3.88Å; I79-I127 HydrophobicContact CG1-CG1 4.28Å; I79-I127 HydrophobicContact CG2-CD1 4.03Å; I79-I127 HydrophobicContact CG2-CG1 3.99Å
80	R	97.8	Very high	97.1	Very high	60 Å²	60	52.8 Å²	52.8	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-52.6	176.3	-179.7	-169.1	57	62.8	10.9	111.2	R76 N77 W78 L82 S83 I84 A93 E94	R76-R80 WeakPolarHBondContact O-CB 3.22Å; R76-R80 PolarHBondContact O-N 3.41Å; N77-R80 PolarHBondContact O-N 3.14Å; W78-R80 VanDerWaalsContact C-N 3.35Å; W78-R80 PolarHBondContact O-N 2.85Å; R80-L82 PolarHBondContact O-N 3.35Å; R80-S83 WeakPolarHBondContact O-CB 3.18Å; R80-S83 PolarHBondContact O-N 2.93Å; R80-I84 HydrophobicContact CG-CD1 4.36Å; R80-I84 WeakPolarHBondContact O-CG1 3.26Å; R80-I84 PolarHBondContact O-N 3.41Å; R80-I84 VanDerWaalsContact O-N 3.11Å; R80-A93 HydrophobicContact CG-CB 4.42Å; R80-E94 WeakPolarHBondContact CD-OE2 3.5Å
81	D	97.8	Very high	97	Very high	83 Å²	83	56 Å²	56	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-46	-178.7	-72.8	-35	0	0	0	111.9	N77 W78 S83 I84 E85	N77-D81 WeakPolarHBondContact O-CB 3.46Å; N77-D81 PolarHBondContact O-N 3.03Å; W78-D81 PolarHBondContact O-N 3.19Å; D81-S83 VanDerWaalsContact C-N 3.28Å; D81-S83 PolarHBondContact O-N 3.44Å; D81-I84 PolarHBondContact O-N 3Å; D81-E85 PolarHBondContact O-N 3.11Å
82	L	97.8	Very high	96.8	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-67.5	-29.9	178.3	-174.7	60.2	0	0	0	112.6	W78 R80 R86 I127 D131	W78-L82 HydrophobicContact CZ2-CD2 3.9Å; W78-L82 VanDerWaalsContact O-CB 3.29Å; W78-L82 WeakPolarHBondContact O-CB 3.35Å; W78-L82 PolarHBondContact O-N 2.93Å; R80-L82 PolarHBondContact O-N 3.35Å; L82-R86 WeakPolarHBondContact O-CG 3.35Å; L82-R86 PolarHBondContact O-N 3.23Å; L82-R86 VanDerWaalsContact O-N 3.15Å; L82-I127 HydrophobicContact CB-CD1 4.29Å; L82-I127 HydrophobicContact CD2-CD1 3.87Å; L82-I127 HydrophobicContact CD2-CG2 4.33Å; L82-I127 HydrophobicContact CG-CD1 4.14Å; L82-D131 HydrophobicContact CD2-CB 3.5Å; L82-D131 VanDerWaalsContact CD2-CB 3.5Å
83	S	97.9	Very high	96.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-43.9	173.9	-61.5	0	0	0	0	111.1	I79 R80 D81 R86 I88 H126	I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.47Å; I79-S83 PolarHBondContact O-N 3.16Å; I79-S83 PolarHBondContact O-OG 3.39Å; R80-S83 WeakPolarHBondContact O-CB 3.18Å; R80-S83 PolarHBondContact O-N 2.93Å; D81-S83 VanDerWaalsContact C-N 3.28Å; D81-S83 PolarHBondContact O-N 3.44Å; S83-R86 CarbonylContact O-C 3.58Å; S83-R86 PolarHBondContact O-N 3.03Å; S83-I88 VanDerWaalsContact O-CB 3.24Å; S83-I88 WeakPolarHBondContact O-CB 3.46Å; S83-I88 WeakPolarHBondContact O-CG1 3.27Å; S83-I88 PolarHBondContact O-N 3.33Å; S83-H126 PolarHBondContact OG-NE2 3.13Å
84	I	97.5	Very high	96.6	Very high	69 Å²	69	60.4 Å²	60.4	35%	0.354	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-44.7	176.4	-64.4	167.8	0	0	0	110.6	R80 D81 R86 N87 A93	R80-I84 HydrophobicContact CG-CD1 4.36Å; R80-I84 WeakPolarHBondContact O-CG1 3.26Å; R80-I84 PolarHBondContact O-N 3.41Å; R80-I84 VanDerWaalsContact O-N 3.11Å; D81-I84 PolarHBondContact O-N 3Å; I84-R86 PolarHBondContact O-N 2.76Å; I84-N87 WeakPolarHBondContact O-CA 3.47Å; I84-N87 PolarHBondContact O-N 3.38Å; I84-A93 HydrophobicContact CD1-CB 4.3Å; I84-A93 HydrophobicContact CG1-CB 3.58Å
85	E	96.3	Very high	96.5	Very high	147 Å²	147	63 Å²	63	69%	0.687	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-32.1	176.2	-172.4	-177.9	166	0	0	112.3	D81 N87	D81-E85 PolarHBondContact O-N 3.11Å; E85-N87 PolarHBondContact O-N 3.16Å
86	R	95.6	Very high	96.4	Very high	89 Å²	89	63.2 Å²	63.2	34%	0.336	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	17.4	175.8	-68.7	-178.7	178.5	-145.2	-3.4	114	L82 S83 I84 I88 H126 D131	L82-R86 WeakPolarHBondContact O-CG 3.35Å; L82-R86 PolarHBondContact O-N 3.23Å; L82-R86 VanDerWaalsContact O-N 3.15Å; S83-R86 CarbonylContact O-C 3.58Å; S83-R86 PolarHBondContact O-N 3.03Å; I84-R86 PolarHBondContact O-N 2.76Å; R86-I88 VanDerWaalsContact C-N 3.27Å; R86-I88 PolarHBondContact O-N 2.78Å; R86-H126 PolarHBondContact NH1-O 3.35Å; R86-D131 IonicContact CZ-OD1 2.71Å; R86-D131 IonicContact CZ-OD2 3.26Å; R86-D131 IonicContact NH1-OD2 3.07Å; R86-D131 IonicContact NH2-OD1 2.6Å; R86-D131 PolarHBondContact NH2-OD1 3.12Å; R86-D131 IonicContact NH2-OD2 3.93Å; R86-D131 PolarHBondContact NH2-OD2 3.12Å
87	N	95.3	Very high	96.3	Very high	151 Å²	151	60.8 Å²	60.8	81%	0.807	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	26.3	179.5	-52.3	-72.8	0	0	0	114.2	I84 E85	I84-N87 WeakPolarHBondContact O-CA 3.47Å; I84-N87 PolarHBondContact O-N 3.38Å; E85-N87 PolarHBondContact O-N 3.16Å
88	I	95.9	Very high	96.3	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.19	31%	0.307	C	S	.	.			trans	-77.2	128	165.5	-60	178.5	0	0	0	107.3	S83 R86 V92 A93 H126	S83-I88 VanDerWaalsContact O-CB 3.24Å; S83-I88 WeakPolarHBondContact O-CB 3.46Å; S83-I88 WeakPolarHBondContact O-CG1 3.27Å; S83-I88 PolarHBondContact O-N 3.33Å; R86-I88 VanDerWaalsContact C-N 3.27Å; R86-I88 PolarHBondContact O-N 2.78Å; I88-V92 HydrophobicContact CG2-CB 3.83Å; I88-V92 HydrophobicContact CG2-CG1 3.71Å; I88-A93 HydrophobicContact CG2-CB 4.35Å; I88-H126 HydrophobicContact CD1-CB 4.49Å; I88-H126 VanDerWaalsContact CD1-CD2 3.4Å; I88-H126 WeakPolarHBondContact CD1-CD2 3.38Å
89	P	96.3	Very high	96.2	Very high	77 Å²	77	58.9 Å²	58.9	50%	0.5	31%	0.314	S	S	.	.			trans	-51	141.4	177.2	-29.5	37.1	0	0	0	112.4	D91 V92 A93	P89-D91 VanDerWaalsContact C-N 3.27Å; P89-D91 WeakPolarHBondContact CB-OD1 3.35Å; P89-D91 PolarHBondContact O-N 3.14Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 CarbonylContact O-C 3.56Å; P89-V92 PolarHBondContact O-N 2.91Å; P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 3.18Å
90	A	95.2	Very high	96.2	Very high	63 Å²	63	59.9 Å²	59.9	52%	0.521	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-35.1	-171.5	0	0	0	0	0	113.5	A93 E94	A90-A93 PolarHBondContact O-N 3.16Å; A90-E94 PolarHBondContact O-N 3.39Å; A90-E94 VanDerWaalsContact O-N 3.1Å
91	D	94.8	Very high	96.2	Very high	119 Å²	119	57.9 Å²	57.9	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-39.9	174.5	59.9	-43.2	0	0	0	112.3	P89	P89-D91 VanDerWaalsContact C-N 3.27Å; P89-D91 WeakPolarHBondContact CB-OD1 3.35Å; P89-D91 PolarHBondContact O-N 3.14Å
92	V	94.3	Very high	96.2	Very high	56 Å²	56	55 Å²	55	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-74.1	-39.5	174.5	-179.4	0	0	0	0	110.9	I88 P89 E94 T95 V96	I88-V92 HydrophobicContact CG2-CB 3.83Å; I88-V92 HydrophobicContact CG2-CG1 3.71Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 CarbonylContact O-C 3.56Å; P89-V92 PolarHBondContact O-N 2.91Å; V92-E94 PolarHBondContact O-N 3.18Å; V92-T95 PolarHBondContact O-N 3.43Å; V92-T95 PolarHBondContact O-OG1 3.09Å; V92-T95 VanDerWaalsContact O-OG1 3.05Å; V92-V96 HydrophobicContact CG1-CG1 4.44Å; V92-V96 WeakPolarHBondContact O-CG1 3.25Å; V92-V96 PolarHBondContact O-N 2.86Å; V92-V96 VanDerWaalsContact O-N 3.15Å
93	A	95.4	Very high	96.2	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-26	178.2	0	0	0	0	0	112.8	R80 I84 I88 P89 A90 T95 V96	R80-A93 HydrophobicContact CG-CB 4.42Å; I84-A93 HydrophobicContact CD1-CB 4.3Å; I84-A93 HydrophobicContact CG1-CB 3.58Å; I88-A93 HydrophobicContact CG2-CB 4.35Å; P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 3.18Å; A90-A93 PolarHBondContact O-N 3.16Å; A93-T95 VanDerWaalsContact C-N 3.29Å; A93-V96 WeakPolarHBondContact O-CG2 3.49Å
94	E	94.3	Very high	96.1	Very high	135 Å²	135	56.3 Å²	56.3	63%	0.631	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.7	173.5	-161.5	61.7	-143.9	0	0	112.3	R80 A90 V92	R80-E94 WeakPolarHBondContact CD-OE2 3.5Å; A90-E94 PolarHBondContact O-N 3.39Å; A90-E94 VanDerWaalsContact O-N 3.1Å; V92-E94 PolarHBondContact O-N 3.18Å
95	T	94.3	Very high	96	Very high	73 Å²	73	54.2 Å²	54.2	45%	0.448	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-12.4	-174.4	67.4	0	0	0	0	114.5	V92 A93 G97	V92-T95 PolarHBondContact O-N 3.43Å; V92-T95 PolarHBondContact O-OG1 3.09Å; V92-T95 VanDerWaalsContact O-OG1 3.05Å; A93-T95 VanDerWaalsContact C-N 3.29Å; T95-G97 PolarHBondContact O-N 2.94Å
96	V	96.1	Very high	95.9	Very high	4 Å²	4	49 Å²	49	2%	0.024	27%	0.274	C	S	.	.	S	Bend	trans	-57.9	-26.5	-179.3	-60.6	0	0	0	0	113.6	I79 V92 A93 P124 E180 V181	I79-V96 HydrophobicContact CG2-CG2 3.65Å; V92-V96 HydrophobicContact CG1-CG1 4.44Å; V92-V96 WeakPolarHBondContact O-CG1 3.25Å; V92-V96 PolarHBondContact O-N 2.86Å; V92-V96 VanDerWaalsContact O-N 3.15Å; A93-V96 WeakPolarHBondContact O-CG2 3.49Å; V96-P124 HydrophobicContact CB-CG 4.31Å; V96-P124 VanDerWaalsContact O-CG 3.27Å; V96-P124 WeakPolarHBondContact O-CG 3.36Å; V96-E180 CarbonylContact O-C 3.27Å; V96-E180 VanDerWaalsContact O-CA 3.3Å; V96-E180 WeakPolarHBondContact O-CA 3.48Å; V96-V181 PolarHBondContact O-N 3.26Å
97	G	95.5	Very high	95.9	Very high	19 Å²	19	49.9 Å²	49.9	20%	0.196	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	72.3	-133.2	172.4	0	0	0	0	0	114.4	I79 T95 V181	I79-G97 WeakPolarHBondContact CG2-O 3.42Å; T95-G97 PolarHBondContact O-N 2.94Å; G97-V181 CarbonylContact C-O 3.53Å; G97-V181 WeakPolarHBondContact CA-O 3.41Å
98	G	97.1	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.			trans	117	144.9	-165.2	0	0	0	0	0	111.2	R76 V122 V181	R76-G98 PolarHBondContact NE-O 2.71Å; G98-V122 WeakPolarHBondContact CA-O 3.44Å; G98-V181 PolarHBondContact N-O 2.97Å
99	K	97.1	Very high	95.9	Very high	43 Å²	43	42.1 Å²	42.1	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.3	-172.2	-176.4	168.6	173.2	177.5	0	112.1	F101 V122 V181 E183 Q185	K99-F101 HydrophobicContact CB-CD2 4.34Å; K99-F101 HydrophobicContact CB-CE2 3.77Å; K99-F101 HydrophobicContact CB-CZ 4.43Å; K99-F101 HydrophobicContact CD-CD2 4.37Å; K99-F101 HydrophobicContact CD-CE1 4.06Å; K99-F101 HydrophobicContact CD-CE2 3.63Å; K99-F101 HydrophobicContact CD-CZ 3.46Å; K99-F101 VanDerWaalsContact CD-CZ 3.46Å; K99-F101 HydrophobicContact CG-CD2 3.95Å; K99-F101 HydrophobicContact CG-CE2 3.55Å; K99-F101 HydrophobicContact CG-CZ 3.94Å; K99-V122 PolarHBondContact N-O 2.93Å; K99-V122 PolarHBondContact O-N 3.3Å; K99-V181 HydrophobicContact CB-CG1 4.11Å; K99-E183 WeakPolarHBondContact CD-O 3.3Å; K99-E183 VanDerWaalsContact CE-O 3.3Å; K99-E183 WeakPolarHBondContact CE-O 3.38Å; K99-E183 PolarHBondContact NZ-O 2.87Å; K99-Q185 PolarHBondContact NZ-O 3.06Å
100	V	98	Very high	95.8	Very high	21 Å²	21	38.5 Å²	38.5	13%	0.127	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	171.8	-179.6	0	0	0	0	108.8	I71 N72 V75 T119 L120	I71-V100 HydrophobicContact CG2-CG1 4.2Å; I71-V100 HydrophobicContact CG2-CG2 4.05Å; N72-V100 HydrophobicContact CB-CG2 4.49Å; N72-V100 PolarHBondContact OD1-N 3.14Å; V75-V100 HydrophobicContact CB-CG2 3.98Å; V75-V100 HydrophobicContact CG1-CG2 4.21Å; V75-V100 HydrophobicContact CG2-CG2 3.62Å; V100-T119 HydrophobicContact CG1-CG2 4.43Å; V100-L120 WeakPolarHBondContact CA-O 3.24Å
101	F	98.1	Very high	95.7	Very high	17 Å²	17	36 Å²	36	8%	0.075	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.4	174	-67.3	-101.8	0	0	0	109.4	K99 T119 L120 V122 Q185 L187	K99-F101 HydrophobicContact CB-CD2 4.34Å; K99-F101 HydrophobicContact CB-CE2 3.77Å; K99-F101 HydrophobicContact CB-CZ 4.43Å; K99-F101 HydrophobicContact CD-CD2 4.37Å; K99-F101 HydrophobicContact CD-CE1 4.06Å; K99-F101 HydrophobicContact CD-CE2 3.63Å; K99-F101 HydrophobicContact CD-CZ 3.46Å; K99-F101 VanDerWaalsContact CD-CZ 3.46Å; K99-F101 HydrophobicContact CG-CD2 3.95Å; K99-F101 HydrophobicContact CG-CE2 3.55Å; K99-F101 HydrophobicContact CG-CZ 3.94Å; F101-T119 CarbonylContact O-C 3.57Å; F101-T119 VanDerWaalsContact O-CA 3.25Å; F101-T119 WeakPolarHBondContact O-CA 3.32Å; F101-L120 HydrophobicContact CB-CB 4.34Å; F101-L120 PolarHBondContact N-O 2.89Å; F101-L120 PolarHBondContact O-N 3.34Å; F101-V122 HydrophobicContact CD2-CB 4.06Å; F101-V122 HydrophobicContact CD2-CG2 3.45Å; F101-V122 VanDerWaalsContact CD2-CG2 3.45Å; F101-V122 HydrophobicContact CE2-CB 3.81Å; F101-V122 HydrophobicContact CE2-CG1 4.39Å; F101-V122 HydrophobicContact CE2-CG2 3.56Å; F101-Q185 WeakPolarHBondContact CE1-O 3.38Å; F101-Q185 WeakPolarHBondContact CZ-O 3.45Å; F101-L187 HydrophobicContact CD1-CD1 3.93Å; F101-L187 HydrophobicContact CD1-CG 4.28Å; F101-L187 HydrophobicContact CD2-CD1 4.11Å; F101-L187 HydrophobicContact CE1-CD1 3.99Å; F101-L187 HydrophobicContact CE1-CG 3.82Å; F101-L187 HydrophobicContact CE2-CD1 4.15Å; F101-L187 HydrophobicContact CE2-CD2 4.31Å; F101-L187 HydrophobicContact CE2-CG 4.24Å; F101-L187 HydrophobicContact CG-CD1 3.98Å; F101-L187 HydrophobicContact CZ-CD1 4.08Å; F101-L187 HydrophobicContact CZ-CD2 4.08Å; F101-L187 HydrophobicContact CZ-CG 3.78Å
102	T	97.5	Very high	95.4	Very high	23 Å²	23	32.3 Å²	32.3	14%	0.141	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	149.9	166.6	57.5	0	0	0	0	109.8	L68 Y106 R107 I117 D118 T119	L68-T102 HydrophobicContact CD1-CG2 3.74Å; L68-T102 HydrophobicContact CD2-CG2 3.69Å; L68-T102 HydrophobicContact CG-CG2 4.39Å; T102-Y106 HydrophobicContact CG2-CD1 3.89Å; T102-Y106 HydrophobicContact CG2-CE1 3.92Å; T102-R107 WeakPolarHBondContact O-CG 3.4Å; T102-I117 HydrophobicContact CG2-CG2 4.11Å; T102-D118 WeakPolarHBondContact CA-O 3.49Å; T102-T119 HydrophobicContact CG2-CG2 4.33Å
103	F	97.2	Very high	95	Very high	22 Å²	22	34.3 Å²	34.3	10%	0.096	18%	0.179	C	C	.	.			trans	-141.2	-169.5	173.8	65.5	-82.7	0	0	0	111.2	R107 D118 L120 L172 C207	F103-R107 VanDerWaalsContact CA-CB 3.42Å; F103-R107 PolarHBondContact O-N 2.97Å; F103-D118 HydrophobicContact CD1-CB 3.9Å; F103-D118 HydrophobicContact CD2-CB 3.79Å; F103-D118 HydrophobicContact CE1-CB 3.73Å; F103-D118 HydrophobicContact CE2-CB 3.61Å; F103-D118 HydrophobicContact CG-CB 3.92Å; F103-D118 HydrophobicContact CZ-CB 3.57Å; F103-D118 PolarHBondContact N-O 3.37Å; F103-L120 HydrophobicContact CD1-CB 4.44Å; F103-L120 HydrophobicContact CE1-CB 4.37Å; F103-L172 HydrophobicContact CE1-CD1 3.91Å; F103-L172 HydrophobicContact CE1-CG 4.25Å; F103-L172 HydrophobicContact CE2-CD1 4.47Å; F103-L172 HydrophobicContact CZ-CD1 3.49Å; F103-L172 VanDerWaalsContact CZ-CD1 3.49Å; F103-L172 HydrophobicContact CZ-CG 4.07Å; F103-C207 HydrophobicContact CB-CB 4.3Å; F103-C207 VanDerWaalsContact CD1-SG 3.6Å
104	G	95.6	Very high	94.6	Very high	16 Å²	16	37.3 Å²	37.3	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	66.7	-148	174.3	0	0	0	0	0	113	Y106 R107 L108 T210	G104-Y106 VanDerWaalsContact C-N 3.32Å; G104-Y106 PolarHBondContact O-N 3.05Å; G104-R107 PolarHBondContact O-N 3.18Å; G104-L108 WeakPolarHBondContact O-CG 3.26Å; G104-L108 PolarHBondContact O-N 3.17Å; G104-T210 PolarHBondContact N-OG1 3.27Å
105	S	94.9	Very high	94.4	Very high	26 Å²	26	31.6 Å²	31.6	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-33.7	-170.5	77.2	0	0	0	0	113.2	G109 V110 H111	S105-G109 PolarHBondContact O-N 2.95Å; S105-V110 PolarHBondContact O-N 3.06Å; S105-H111 PolarHBondContact O-N 3.15Å; S105-H111 VanDerWaalsContact O-N 3.13Å
106	Y	95.5	Very high	94.4	Very high	38 Å²	38	30.8 Å²	30.8	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-55.3	175.7	179.8	-97.9	0	0	0	110.9	R64 L68 T102 G104 L108 G109 H111 I117	R64-Y106 HydrophobicContact CB-CE2 4.12Å; R64-Y106 HydrophobicContact CG-CE2 4.48Å; L68-Y106 HydrophobicContact CD1-CE1 3.63Å; T102-Y106 HydrophobicContact CG2-CD1 3.89Å; T102-Y106 HydrophobicContact CG2-CE1 3.92Å; G104-Y106 VanDerWaalsContact C-N 3.32Å; G104-Y106 PolarHBondContact O-N 3.05Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 3.05Å; Y106-G109 WeakPolarHBondContact O-CA 3.48Å; Y106-G109 PolarHBondContact O-N 3.04Å; Y106-H111 WeakPolarHBondContact CA-ND1 3.01Å; Y106-H111 AromaticContact CD2-CE1 3.6Å; Y106-H111 AromaticContact CD2-ND1 3.78Å; Y106-H111 AromaticContact CD2-NE2 3.74Å; Y106-H111 AromaticContact CE2-CE1 3.93Å; Y106-H111 AromaticContact CE2-NE2 3.97Å; Y106-I117 HydrophobicContact CD1-CG2 4.02Å; Y106-I117 HydrophobicContact CD2-CD1 4.5Å; Y106-I117 HydrophobicContact CD2-CG1 4.4Å; Y106-I117 HydrophobicContact CG-CG1 4.49Å; Y106-I117 HydrophobicContact CG-CG2 4.06Å
107	R	96.1	Very high	94.5	Very high	107 Å²	107	30.6 Å²	30.6	40%	0.404	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-37.3	-179.5	178.4	63.8	177.9	176.1	-2.6	113.4	T102 F103 G104 G109 T210 D211 L214	T102-R107 WeakPolarHBondContact O-CG 3.4Å; F103-R107 VanDerWaalsContact CA-CB 3.42Å; F103-R107 PolarHBondContact O-N 2.97Å; G104-R107 PolarHBondContact O-N 3.18Å; R107-G109 PolarHBondContact O-N 3.39Å; R107-T210 HydrophobicContact CB-CG2 3.8Å; R107-T210 HydrophobicContact CG-CG2 3.51Å; R107-D211 IonicContact CZ-OD1 2.76Å; R107-D211 VanDerWaalsContact CZ-OD1 3.28Å; R107-D211 IonicContact NE-OD1 3.77Å; R107-D211 PolarHBondContact NE-OD1 2.84Å; R107-D211 IonicContact NH2-OD1 2.67Å; R107-D211 PolarHBondContact NH2-OD1 3.11Å; R107-D211 IonicContact NH2-OD2 3.09Å; R107-L214 HydrophobicContact CG-CD1 4.33Å
108	L	96.3	Very high	94.6	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-18.6	172.8	-71.9	176.3	0	0	0	112.7	G104 Y106 V110 T210 I213 L214 F223 R224 L227 A253	G104-L108 WeakPolarHBondContact O-CG 3.26Å; G104-L108 PolarHBondContact O-N 3.17Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 3.05Å; L108-V110 HydrophobicContact CB-CG2 3.76Å; L108-V110 HydrophobicContact CD1-CG2 4.37Å; L108-T210 HydrophobicContact CD2-CG2 3.71Å; L108-T210 HydrophobicContact CG-CG2 3.74Å; L108-I213 HydrophobicContact CD2-CB 4.48Å; L108-I213 HydrophobicContact CD2-CG2 4.14Å; L108-L214 HydrophobicContact CD2-CD2 4.03Å; L108-L214 HydrophobicContact CD2-CG 3.98Å; L108-F223 HydrophobicContact CD2-CE1 4.16Å; L108-F223 HydrophobicContact CD2-CZ 4.38Å; L108-R224 VanDerWaalsContact O-CG 3.26Å; L108-R224 WeakPolarHBondContact O-CG 3.38Å; L108-R224 PolarHBondContact O-NE 3.24Å; L108-L227 HydrophobicContact CD1-CD2 4.26Å; L108-A253 HydrophobicContact CD1-CB 3.92Å
109	G	94.6	Very high	94.6	Very high	14 Å²	14	31.4 Å²	31.4	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	33.8	-175.9	0	0	0	0	0	112.6	S105 Y106 R107 R228	S105-G109 PolarHBondContact O-N 2.95Å; Y106-G109 WeakPolarHBondContact O-CA 3.48Å; Y106-G109 PolarHBondContact O-N 3.04Å; R107-G109 PolarHBondContact O-N 3.39Å; G109-R228 PolarHBondContact O-NH1 3Å; G109-R228 PolarHBondContact O-NH2 3.41Å
110	V	94.7	Very high	94.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	17%	0.169	C	C	.	.			trans	-134.8	22.4	-178.8	-59.4	0	0	0	0	112.8	S105 L108 R224 L227 R228 K231	S105-V110 PolarHBondContact O-N 3.06Å; L108-V110 HydrophobicContact CB-CG2 3.76Å; L108-V110 HydrophobicContact CD1-CG2 4.37Å; V110-R224 HydrophobicContact CG1-CB 4Å; V110-R224 HydrophobicContact CG1-CG 3.96Å; V110-L227 HydrophobicContact CB-CD2 4.37Å; V110-L227 HydrophobicContact CB-CG 4.49Å; V110-L227 HydrophobicContact CG1-CB 4.16Å; V110-L227 HydrophobicContact CG1-CD2 3.98Å; V110-L227 HydrophobicContact CG1-CG 4.16Å; V110-L227 HydrophobicContact CG2-CD2 3.76Å; V110-L227 HydrophobicContact CG2-CG 4.24Å; V110-R228 HydrophobicContact CB-CG 4.28Å; V110-R228 HydrophobicContact CG1-CG 4.3Å; V110-K231 HydrophobicContact CG2-CD 4.29Å; V110-K231 PolarHBondContact O-NZ 3.29Å
111	H	91.5	Very high	94.7	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.051	16%	0.163	C	C	.	.			trans	-67	152.6	169.5	54.8	-75.1	0	0	0	109.3	E56 S105 Y106 A115	E56-H111 IonicContact OE1-CD2 3.43Å; E56-H111 IonicContact OE2-CD2 2.74Å; E56-H111 PolarHBondContact OE2-CD2 3.04Å; E56-H111 IonicContact OE2-NE2 3.76Å; E56-H111 PolarHBondContact OE2-NE2 3.34Å; S105-H111 PolarHBondContact O-N 3.15Å; S105-H111 VanDerWaalsContact O-N 3.13Å; Y106-H111 WeakPolarHBondContact CA-ND1 3.01Å; Y106-H111 AromaticContact CD2-CE1 3.6Å; Y106-H111 AromaticContact CD2-ND1 3.78Å; Y106-H111 AromaticContact CD2-NE2 3.74Å; Y106-H111 AromaticContact CE2-CE1 3.93Å; Y106-H111 AromaticContact CE2-NE2 3.97Å; H111-A115 HydrophobicContact CB-CB 4.1Å
112	T	89	Confident	94.7	Very high	40 Å²	40	27.6 Å²	27.6	25%	0.245	16%	0.159	C	C	.	.			trans	-105.9	164.9	176.3	52.3	0	0	0	0	108.9	V54 G114 A115	V54-T112 HydrophobicContact CB-CG2 4.22Å; T112-G114 PolarHBondContact O-N 2.92Å; T112-A115 WeakPolarHBondContact O-CB 3.27Å; T112-A115 PolarHBondContact O-N 3.4Å
113	K	86.1	Confident	94.8	Very high	99 Å²	99	26.5 Å²	26.5	43%	0.43	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	133.9	174.1	-170.2	173.1	-171.7	168.9	0	112.2	E60 A115	E60-K113 WeakPolarHBondContact OE1-CE 3.27Å; E60-K113 WeakPolarHBondContact OE1-CG 3.4Å; K113-A115 PolarHBondContact O-N 3Å
114	G	86.6	Confident	94.8	Very high	63 Å²	63	25.4 Å²	25.4	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	10.2	-179.5	0	0	0	0	0	115.2	T112	T112-G114 PolarHBondContact O-N 2.92Å
115	A	91.3	Very high	94.9	Very high	16 Å²	16	30.4 Å²	30.4	13%	0.132	16%	0.162	C	C	.	.			trans	-67.9	151	173.8	0	0	0	0	0	111.7	R64 H111 T112 K113	R64-A115 VanDerWaalsContact CZ-O 3.28Å; R64-A115 PolarHBondContact NH1-O 3.1Å; R64-A115 PolarHBondContact NH2-O 2.92Å; H111-A115 HydrophobicContact CB-CB 4.1Å; T112-A115 WeakPolarHBondContact O-CB 3.27Å; T112-A115 PolarHBondContact O-N 3.4Å; K113-A115 PolarHBondContact O-N 3Å
116	D	94.2	Very high	94.9	Very high	55 Å²	55	30.8 Å²	30.8	29%	0.294	16%	0.161	S	C	.	.			trans	-66.9	157.4	171.7	55.8	-26.5	0	0	0	112.4	E168	D116-E168 WeakPolarHBondContact CA-O 3.17Å; D116-E168 HydrophobicContact CB-CB 4.16Å
117	I	96.8	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.9	168.1	-48.6	-179.3	0	0	0	109.5	R64 L68 T102 Y106 T119 I167 E168 L169 D170	R64-I117 HydrophobicContact CB-CD1 3.95Å; R64-I117 HydrophobicContact CG-CD1 3.89Å; L68-I117 HydrophobicContact CD2-CG2 4.27Å; T102-I117 HydrophobicContact CG2-CG2 4.11Å; Y106-I117 HydrophobicContact CD1-CG2 4.02Å; Y106-I117 HydrophobicContact CD2-CD1 4.5Å; Y106-I117 HydrophobicContact CD2-CG1 4.4Å; Y106-I117 HydrophobicContact CG-CG1 4.49Å; Y106-I117 HydrophobicContact CG-CG2 4.06Å; I117-T119 HydrophobicContact CB-CG2 4.46Å; I117-T119 HydrophobicContact CG2-CG2 3.74Å; I117-T119 PolarHBondContact O-N 3.47Å; I117-I167 HydrophobicContact CD1-CG2 3.88Å; I117-I167 HydrophobicContact CG1-CG2 3.99Å; I117-E168 PolarHBondContact N-O 3.3Å; I117-L169 HydrophobicContact CB-CD2 3.77Å; I117-L169 HydrophobicContact CB-CG 4.47Å; I117-L169 HydrophobicContact CD1-CD2 4.43Å; I117-L169 HydrophobicContact CG2-CD2 4.28Å; I117-D170 PolarHBondContact O-N 3.17Å; I117-D170 VanDerWaalsContact O-N 3.07Å
118	D	97.8	Very high	95.1	Very high	37 Å²	37	26.3 Å²	26.3	20%	0.198	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.2	166.5	-72.6	-62.8	0	0	0	110.7	T102 F103	T102-D118 WeakPolarHBondContact CA-O 3.49Å; F103-D118 HydrophobicContact CD1-CB 3.9Å; F103-D118 HydrophobicContact CD2-CB 3.79Å; F103-D118 HydrophobicContact CE1-CB 3.73Å; F103-D118 HydrophobicContact CE2-CB 3.61Å; F103-D118 HydrophobicContact CG-CB 3.92Å; F103-D118 HydrophobicContact CZ-CB 3.57Å; F103-D118 PolarHBondContact N-O 3.37Å
119	T	98.2	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.6	-178.8	62.4	0	0	0	0	112.5	L68 V100 F101 T102 I117 L169 D170 M171 L172	L68-T119 HydrophobicContact CD2-CG2 3.84Å; V100-T119 HydrophobicContact CG1-CG2 4.43Å; F101-T119 CarbonylContact O-C 3.57Å; F101-T119 VanDerWaalsContact O-CA 3.25Å; F101-T119 WeakPolarHBondContact O-CA 3.32Å; T102-T119 HydrophobicContact CG2-CG2 4.33Å; I117-T119 HydrophobicContact CB-CG2 4.46Å; I117-T119 HydrophobicContact CG2-CG2 3.74Å; I117-T119 PolarHBondContact O-N 3.47Å; T119-L169 HydrophobicContact CG2-CD2 3.7Å; T119-D170 PolarHBondContact N-O 2.98Å; T119-D170 PolarHBondContact OG1-O 3.3Å; T119-M171 WeakPolarHBondContact O-CA 3.23Å; T119-M171 VanDerWaalsContact OG1-CA 3.31Å; T119-M171 WeakPolarHBondContact OG1-CA 3.36Å; T119-M171 WeakPolarHBondContact OG1-CB 3.47Å; T119-M171 WeakPolarHBondContact OG1-CG 3.37Å; T119-L172 PolarHBondContact O-N 3.44Å
120	L	98.5	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	116.7	177.1	175.2	68.7	0	0	0	109.5	V100 F101 F103 V122 L172 A174 L187 L204 C207	V100-L120 WeakPolarHBondContact CA-O 3.24Å; F101-L120 HydrophobicContact CB-CB 4.34Å; F101-L120 PolarHBondContact N-O 2.89Å; F101-L120 PolarHBondContact O-N 3.34Å; F103-L120 HydrophobicContact CD1-CB 4.44Å; F103-L120 HydrophobicContact CE1-CB 4.37Å; L120-V122 HydrophobicContact CD2-CG2 3.66Å; L120-V122 HydrophobicContact CG-CG2 3.74Å; L120-V122 PolarHBondContact O-N 3.44Å; L120-L172 HydrophobicContact CD1-CB 3.64Å; L120-A174 HydrophobicContact CD1-CB 3.87Å; L120-A174 HydrophobicContact CD2-CB 4.44Å; L120-L187 HydrophobicContact CD2-CD1 4.09Å; L120-L204 HydrophobicContact CD2-CD2 3.93Å; L120-C207 HydrophobicContact CD2-CB 4.41Å; L120-C207 VanDerWaalsContact CD2-SG 3.59Å
121	C	98.5	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.2	167.6	176.9	0	0	0	0	109.4	F132 M171 L172 F173 A174	C121-F132 HydrophobicContact CB-CD2 4.27Å; C121-F132 HydrophobicContact CB-CE2 3.79Å; C121-M171 HydrophobicContact CB-CG 4.42Å; C121-M171 HydrophobicContact CB-SD 4.4Å; C121-L172 PolarHBondContact N-O 2.94Å; C121-F173 HydrophobicContact CB-CD2 4.27Å; C121-F173 WeakPolarHBondContact O-CA 3.39Å; C121-A174 PolarHBondContact O-N 3.3Å
122	V	98.5	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.9	175.9	-178.8	0	0	0	0	109.6	G98 K99 F101 L120 A174 L176 V181 L187	G98-V122 WeakPolarHBondContact CA-O 3.44Å; K99-V122 PolarHBondContact N-O 2.93Å; K99-V122 PolarHBondContact O-N 3.3Å; F101-V122 HydrophobicContact CD2-CB 4.06Å; F101-V122 HydrophobicContact CD2-CG2 3.45Å; F101-V122 VanDerWaalsContact CD2-CG2 3.45Å; F101-V122 HydrophobicContact CE2-CB 3.81Å; F101-V122 HydrophobicContact CE2-CG1 4.39Å; F101-V122 HydrophobicContact CE2-CG2 3.56Å; L120-V122 HydrophobicContact CD2-CG2 3.66Å; L120-V122 HydrophobicContact CG-CG2 3.74Å; L120-V122 PolarHBondContact O-N 3.44Å; V122-A174 VanDerWaalsContact CA-O 3.3Å; V122-A174 WeakPolarHBondContact CA-O 3.11Å; V122-L176 HydrophobicContact CG1-CD1 3.48Å; V122-L176 VanDerWaalsContact CG1-CD1 3.48Å; V122-L176 HydrophobicContact CG1-CD2 4.37Å; V122-L176 HydrophobicContact CG1-CG 3.59Å; V122-V181 HydrophobicContact CG1-CG1 4.09Å; V122-V181 HydrophobicContact CG1-CG2 4.45Å; V122-L187 HydrophobicContact CG2-CD1 4.38Å; V122-L187 HydrophobicContact CG2-CD2 4.47Å
123	A	98.3	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.2	-176	0	0	0	0	0	112.8	I79 I127 F173 A174 R175 L176	I79-A123 HydrophobicContact CD1-CB 3.88Å; A123-I127 HydrophobicContact CB-CB 3.75Å; A123-I127 HydrophobicContact CB-CG1 4.17Å; A123-I127 HydrophobicContact CB-CG2 3.86Å; A123-F173 HydrophobicContact CB-CE2 3.76Å; A123-F173 HydrophobicContact CB-CZ 4.13Å; A123-A174 PolarHBondContact N-O 3.41Å; A123-R175 WeakPolarHBondContact O-CA 3.33Å; A123-L176 PolarHBondContact O-N 3.48Å
124	P	97.9	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.			trans	-68.4	167.4	174.6	-14.3	27.7	0	0	0	113.5	V96 H126 I127 R175 K179 V181	V96-P124 HydrophobicContact CB-CG 4.31Å; V96-P124 VanDerWaalsContact O-CG 3.27Å; V96-P124 WeakPolarHBondContact O-CG 3.36Å; P124-H126 PolarHBondContact O-N 2.98Å; P124-I127 PolarHBondContact O-N 3.47Å; P124-R175 WeakPolarHBondContact O-CG 3.39Å; P124-K179 WeakPolarHBondContact CB-O 3.45Å; P124-V181 HydrophobicContact CB-CG2 4.31Å; P124-V181 HydrophobicContact CG-CB 4.26Å; P124-V181 HydrophobicContact CG-CG2 3.95Å
125	R	96.8	Very high	97.3	Very high	120 Å²	120	28.9 Å²	28.9	45%	0.453	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	-169.6	70.4	-172.6	-177.8	162.8	4.9	115.9	R175 L176 L178	R125-R175 WeakPolarHBondContact O-CD 3.3Å; R125-R175 PolarHBondContact O-NH1 3.18Å; R125-L176 VanDerWaalsContact CA-O 3.26Å; R125-L176 WeakPolarHBondContact CA-O 3.4Å; R125-L176 WeakPolarHBondContact CB-O 3.32Å; R125-L176 PolarHBondContact N-O 2.85Å; R125-L178 WeakPolarHBondContact CB-O 3.44Å; R125-L178 VanDerWaalsContact CG-O 3.31Å; R125-L178 WeakPolarHBondContact CG-O 3.35Å; R125-L178 PolarHBondContact N-O 3.03Å
126	H	96.5	Very high	97.6	Very high	34 Å²	34	28.1 Å²	28.1	16%	0.157	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.3	-179.8	63.3	-79.4	0	0	0	113.3	S83 R86 I88 P124	S83-H126 PolarHBondContact OG-NE2 3.13Å; R86-H126 PolarHBondContact NH1-O 3.35Å; I88-H126 HydrophobicContact CD1-CB 4.49Å; I88-H126 VanDerWaalsContact CD1-CD2 3.4Å; I88-H126 WeakPolarHBondContact CD1-CD2 3.38Å; P124-H126 PolarHBondContact O-N 2.98Å
127	I	97.9	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-99.8	119.7	174.8	-53.7	-62.5	0	0	0	108.5	W78 I79 L82 A123 P124 F173 R175	W78-I127 HydrophobicContact CH2-CG2 3.35Å; W78-I127 HydrophobicContact CZ2-CG2 3.94Å; W78-I127 HydrophobicContact CZ3-CG2 3.92Å; I79-I127 HydrophobicContact CG1-CG1 4.28Å; I79-I127 HydrophobicContact CG2-CD1 4.03Å; I79-I127 HydrophobicContact CG2-CG1 3.99Å; L82-I127 HydrophobicContact CB-CD1 4.29Å; L82-I127 HydrophobicContact CD2-CD1 3.87Å; L82-I127 HydrophobicContact CD2-CG2 4.33Å; L82-I127 HydrophobicContact CG-CD1 4.14Å; A123-I127 HydrophobicContact CB-CB 3.75Å; A123-I127 HydrophobicContact CB-CG1 4.17Å; A123-I127 HydrophobicContact CB-CG2 3.86Å; P124-I127 PolarHBondContact O-N 3.47Å; I127-F173 HydrophobicContact CG2-CE2 4.25Å; I127-F173 HydrophobicContact CG2-CZ 4.18Å; I127-R175 WeakPolarHBondContact O-CD 3.34Å; I127-R175 WeakPolarHBondContact O-CG 3.37Å
128	L	97.2	Very high	97.8	Very high	52 Å²	52	30.4 Å²	30.4	27%	0.272	15%	0.146	S	C	.	.			trans	-94.6	162.9	-173.5	-47.5	177.1	0	0	0	111.8	E130 D131 F132	L128-E130 VanDerWaalsContact C-N 3.26Å; L128-E130 VanDerWaalsContact CB-OE2 3.22Å; L128-E130 WeakPolarHBondContact CB-OE2 3.42Å; L128-E130 PolarHBondContact O-N 2.99Å; L128-D131 WeakPolarHBondContact CA-OD2 3.46Å; L128-D131 WeakPolarHBondContact CB-OD2 3.42Å; L128-D131 WeakPolarHBondContact CG-OD2 3.14Å; L128-D131 PolarHBondContact N-OD2 2.87Å; L128-D131 WeakPolarHBondContact O-CB 3.4Å; L128-D131 PolarHBondContact O-N 2.67Å; L128-F132 PolarHBondContact O-N 2.67Å
129	R	97.2	Very high	97.9	Very high	35 Å²	35	31 Å²	31	13%	0.132	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-37.1	177.3	175.5	174.1	-65.3	120.9	4.1	111.4	D131 F132 F133 F173 D197 K199 C200	R129-D131 PolarHBondContact O-N 3.36Å; R129-F132 WeakPolarHBondContact O-CB 3.38Å; R129-F132 PolarHBondContact O-N 2.89Å; R129-F133 HydrophobicContact CG-CD2 3.57Å; R129-F133 HydrophobicContact CG-CE2 3.56Å; R129-F133 WeakPolarHBondContact O-CD2 3.32Å; R129-F133 PolarHBondContact O-N 2.92Å; R129-F173 VanDerWaalsContact CA-CE1 3.44Å; R129-F173 HydrophobicContact CB-CD1 3.93Å; R129-F173 HydrophobicContact CB-CE1 3.93Å; R129-F173 HydrophobicContact CG-CD1 4.21Å; R129-D197 IonicContact CZ-OD1 3.45Å; R129-D197 VanDerWaalsContact CZ-OD1 3.23Å; R129-D197 IonicContact NH1-OD1 2.79Å; R129-D197 PolarHBondContact NH1-OD1 3.4Å; R129-D197 IonicContact NH1-OD2 3.74Å; R129-D197 IonicContact NH2-OD1 2.7Å; R129-D197 PolarHBondContact NH2-OD1 2.96Å; R129-D197 IonicContact NH2-OD2 3.56Å; R129-K199 VanDerWaalsContact CZ-CB 3.42Å; R129-C200 PolarHBondContact NH2-SG 3.47Å
130	E	97.3	Very high	97.9	Very high	107 Å²	107	31 Å²	31	50%	0.5	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-34	177.8	-60.4	70.8	-153.4	0	0	110.4	L128 N134	L128-E130 VanDerWaalsContact C-N 3.26Å; L128-E130 VanDerWaalsContact CB-OE2 3.22Å; L128-E130 WeakPolarHBondContact CB-OE2 3.42Å; L128-E130 PolarHBondContact O-N 2.99Å; E130-N134 VanDerWaalsContact O-CB 3.24Å; E130-N134 WeakPolarHBondContact O-CB 3.35Å; E130-N134 PolarHBondContact O-N 3.49Å; E130-N134 PolarHBondContact O-ND2 3.25Å
131	D	98	Very high	97.8	Very high	25 Å²	25	37.3 Å²	37.3	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-40.4	176.9	-54.2	-52.4	0	0	0	111.3	W78 L82 R86 L128 R129 N134 S135 F136	W78-D131 HydrophobicContact CH2-CB 4.43Å; W78-D131 HydrophobicContact CZ2-CB 3.71Å; L82-D131 HydrophobicContact CD2-CB 3.5Å; L82-D131 VanDerWaalsContact CD2-CB 3.5Å; R86-D131 IonicContact CZ-OD1 2.71Å; R86-D131 IonicContact CZ-OD2 3.26Å; R86-D131 IonicContact NH1-OD2 3.07Å; R86-D131 IonicContact NH2-OD1 2.6Å; R86-D131 PolarHBondContact NH2-OD1 3.12Å; R86-D131 IonicContact NH2-OD2 3.93Å; R86-D131 PolarHBondContact NH2-OD2 3.12Å; L128-D131 WeakPolarHBondContact CA-OD2 3.46Å; L128-D131 WeakPolarHBondContact CB-OD2 3.42Å; L128-D131 WeakPolarHBondContact CG-OD2 3.14Å; L128-D131 PolarHBondContact N-OD2 2.87Å; L128-D131 WeakPolarHBondContact O-CB 3.4Å; L128-D131 PolarHBondContact O-N 2.67Å; R129-D131 PolarHBondContact O-N 3.36Å; D131-N134 PolarHBondContact O-N 3.45Å; D131-S135 PolarHBondContact O-N 2.91Å; D131-S135 PolarHBondContact O-OG 3.4Å; D131-F136 PolarHBondContact O-N 2.98Å; D131-F136 VanDerWaalsContact O-N 3.15Å
132	F	98.4	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-63	-46.2	176.6	174.5	-97.9	0	0	0	111.9	W78 C121 L128 R129 N134 F136 W137 I160 M171 F173	W78-F132 HydrophobicContact CH2-CB 4Å; C121-F132 HydrophobicContact CB-CD2 4.27Å; C121-F132 HydrophobicContact CB-CE2 3.79Å; L128-F132 PolarHBondContact O-N 2.67Å; R129-F132 WeakPolarHBondContact O-CB 3.38Å; R129-F132 PolarHBondContact O-N 2.89Å; F132-N134 VanDerWaalsContact C-N 3.31Å; F132-N134 PolarHBondContact O-N 3.03Å; F132-F136 HydrophobicContact CD2-CB 4.5Å; F132-F136 AromaticContact CD2-CD1 3.58Å; F132-F136 HydrophobicContact CD2-CD1 3.58Å; F132-F136 HydrophobicContact CD2-CE1 4.21Å; F132-F136 HydrophobicContact CD2-CG 4.34Å; F132-F136 AromaticContact CE2-CD1 3.58Å; F132-F136 HydrophobicContact CE2-CD1 3.58Å; F132-F136 AromaticContact CE2-CE1 3.8Å; F132-F136 HydrophobicContact CE2-CE1 3.8Å; F132-F136 WeakPolarHBondContact O-CB 3.28Å; F132-W137 PolarHBondContact O-N 2.93Å; F132-I160 HydrophobicContact CD1-CD1 3.92Å; F132-I160 HydrophobicContact CD1-CG1 4.4Å; F132-I160 HydrophobicContact CE1-CB 4.38Å; F132-I160 HydrophobicContact CE1-CD1 3.45Å; F132-I160 VanDerWaalsContact CE1-CD1 3.45Å; F132-I160 HydrophobicContact CE1-CG1 3.64Å; F132-I160 HydrophobicContact CE2-CD1 4.21Å; F132-I160 HydrophobicContact CG-CD1 4.5Å; F132-I160 HydrophobicContact CZ-CB 4.36Å; F132-I160 HydrophobicContact CZ-CD1 3.62Å; F132-I160 HydrophobicContact CZ-CG1 4Å; F132-M171 HydrophobicContact CE2-CG 4.13Å; F132-M171 HydrophobicContact CE2-SD 4.04Å; F132-M171 HydrophobicContact CZ-CB 4.26Å; F132-M171 HydrophobicContact CZ-CG 3.88Å; F132-M171 HydrophobicContact CZ-SD 4.29Å; F132-F173 HydrophobicContact CB-CB 4.28Å; F132-F173 HydrophobicContact CB-CD1 4.36Å; F132-F173 HydrophobicContact CB-CD2 3.6Å; F132-F173 HydrophobicContact CB-CE2 3.94Å; F132-F173 HydrophobicContact CB-CG 3.82Å; F132-F173 HydrophobicContact CB-CZ 4.47Å; F132-F173 HydrophobicContact CD1-CB 3.5Å; F132-F173 VanDerWaalsContact CD1-CB 3.5Å; F132-F173 HydrophobicContact CD1-CD2 4.31Å; F132-F173 HydrophobicContact CD1-CG 4.01Å; F132-F173 HydrophobicContact CD2-CB 4.01Å; F132-F173 AromaticContact CD2-CD2 3.56Å; F132-F173 HydrophobicContact CD2-CD2 3.56Å; F132-F173 HydrophobicContact CD2-CE2 4.39Å; F132-F173 HydrophobicContact CD2-CG 4.09Å; F132-F173 HydrophobicContact CE1-CB 3.68Å; F132-F173 HydrophobicContact CE2-CB 4.19Å; F132-F173 HydrophobicContact CE2-CD2 4.29Å; F132-F173 HydrophobicContact CG-CB 3.66Å; F132-F173 AromaticContact CG-CD2 3.56Å; F132-F173 HydrophobicContact CG-CD2 3.56Å; F132-F173 HydrophobicContact CG-CE2 4.37Å; F132-F173 AromaticContact CG-CG 3.71Å; F132-F173 HydrophobicContact CG-CG 3.71Å; F132-F173 HydrophobicContact CZ-CB 4.03Å
133	F	98.1	Very high	97.7	Very high	1 Å²	1	47 Å²	47	0%	0.004	22%	0.215	C	C	.	.	I	π-helix	trans	-78.9	-11.4	-179.8	-73.6	-67.3	0	0	0	114.5	R129 W137 R151 E153 P158 I160	R129-F133 HydrophobicContact CG-CD2 3.57Å; R129-F133 HydrophobicContact CG-CE2 3.56Å; R129-F133 WeakPolarHBondContact O-CD2 3.32Å; R129-F133 PolarHBondContact O-N 2.92Å; F133-W137 WeakPolarHBondContact O-CB 3.33Å; F133-R151 HydrophobicContact CD1-CB 3.88Å; F133-R151 HydrophobicContact CE1-CB 4.48Å; F133-R151 VanDerWaalsContact O-CD 3.24Å; F133-R151 WeakPolarHBondContact O-CD 3.04Å; F133-R151 PolarHBondContact O-NH1 3.41Å; F133-E153 HydrophobicContact CB-CG 4.05Å; F133-E153 HydrophobicContact CD1-CG 3.73Å; F133-E153 HydrophobicContact CD2-CG 3.99Å; F133-E153 HydrophobicContact CE1-CG 4.14Å; F133-E153 HydrophobicContact CE2-CG 4.41Å; F133-E153 HydrophobicContact CG-CG 3.64Å; F133-E153 HydrophobicContact CZ-CG 4.49Å; F133-P158 HydrophobicContact CE1-CB 4.44Å; F133-P158 HydrophobicContact CE2-CB 3.69Å; F133-P158 HydrophobicContact CZ-CB 3.39Å; F133-I160 HydrophobicContact CD1-CD1 4.19Å; F133-I160 HydrophobicContact CD1-CG1 3.78Å; F133-I160 HydrophobicContact CE1-CD1 4.46Å; F133-I160 HydrophobicContact CE1-CG1 3.7Å
134	N	97.4	Very high	97.7	Very high	77 Å²	77	52.6 Å²	52.6	41%	0.412	25%	0.251	S	S	.	.	I	π-helix	trans	-108.2	-86	175.5	-65.8	-54	0	0	0	111.3	E130 D131 F132 F136 W137 E138 R151	E130-N134 VanDerWaalsContact O-CB 3.24Å; E130-N134 WeakPolarHBondContact O-CB 3.35Å; E130-N134 PolarHBondContact O-N 3.49Å; E130-N134 PolarHBondContact O-ND2 3.25Å; D131-N134 PolarHBondContact O-N 3.45Å; F132-N134 VanDerWaalsContact C-N 3.31Å; F132-N134 PolarHBondContact O-N 3.03Å; N134-F136 PolarHBondContact O-N 2.98Å; N134-W137 PolarHBondContact O-N 3.27Å; N134-E138 PolarHBondContact O-N 2.88Å; N134-R151 PolarHBondContact OD1-NH1 3.16Å
135	S	97.8	Very high	97.7	Very high	48 Å²	48	55 Å²	55	34%	0.336	26%	0.263	S	S	.	.	I	π-helix	trans	-60.5	-40.8	-171.3	63.9	0	0	0	0	113.9	W78 D131 L139	W78-S135 PolarHBondContact NE1-OG 3.47Å; D131-S135 PolarHBondContact O-N 2.91Å; D131-S135 PolarHBondContact O-OG 3.4Å; S135-L139 PolarHBondContact O-N 2.88Å
136	F	98.5	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-72.7	-40.5	177.8	-174.7	-114.7	0	0	0	112	L74 V75 W78 D131 F132 N134 E138 L139 L140 M171	L74-F136 HydrophobicContact CB-CE2 4.23Å; V75-F136 HydrophobicContact CB-CE2 4.48Å; V75-F136 HydrophobicContact CG2-CE1 4.18Å; V75-F136 HydrophobicContact CG2-CE2 3.76Å; V75-F136 HydrophobicContact CG2-CZ 3.39Å; W78-F136 HydrophobicContact CB-CD2 3.84Å; W78-F136 HydrophobicContact CB-CE2 4.34Å; W78-F136 HydrophobicContact CD2-CB 3.7Å; W78-F136 AromaticContact CD2-CD2 3.59Å; W78-F136 HydrophobicContact CD2-CD2 3.59Å; W78-F136 AromaticContact CD2-CG 3.91Å; W78-F136 HydrophobicContact CD2-CG 3.91Å; W78-F136 HydrophobicContact CE3-CB 4.09Å; W78-F136 AromaticContact CE3-CD2 3.7Å; W78-F136 HydrophobicContact CE3-CD2 3.7Å; W78-F136 HydrophobicContact CE3-CE2 4.38Å; W78-F136 AromaticContact CE3-CG 3.96Å; W78-F136 HydrophobicContact CE3-CG 3.96Å; W78-F136 HydrophobicContact CG-CB 4.15Å; W78-F136 AromaticContact CG-CD2 3.61Å; W78-F136 HydrophobicContact CG-CD2 3.61Å; W78-F136 HydrophobicContact CG-CG 4.3Å; W78-F136 HydrophobicContact CH2-CB 4.19Å; W78-F136 HydrophobicContact CZ2-CB 3.81Å; W78-F136 HydrophobicContact CZ3-CB 4.32Å; W78-F136 HydrophobicContact CZ3-CG 4.35Å; D131-F136 PolarHBondContact O-N 2.98Å; D131-F136 VanDerWaalsContact O-N 3.15Å; F132-F136 HydrophobicContact CD2-CB 4.5Å; F132-F136 AromaticContact CD2-CD1 3.58Å; F132-F136 HydrophobicContact CD2-CD1 3.58Å; F132-F136 HydrophobicContact CD2-CE1 4.21Å; F132-F136 HydrophobicContact CD2-CG 4.34Å; F132-F136 AromaticContact CE2-CD1 3.58Å; F132-F136 HydrophobicContact CE2-CD1 3.58Å; F132-F136 AromaticContact CE2-CE1 3.8Å; F132-F136 HydrophobicContact CE2-CE1 3.8Å; F132-F136 WeakPolarHBondContact O-CB 3.28Å; N134-F136 PolarHBondContact O-N 2.98Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.17Å; F136-L139 HydrophobicContact CD2-CD2 4.17Å; F136-L139 HydrophobicContact CE2-CD2 4.38Å; F136-L139 WeakPolarHBondContact O-CB 3.4Å; F136-L139 PolarHBondContact O-N 3.09Å; F136-L139 VanDerWaalsContact O-N 3.12Å; F136-L140 HydrophobicContact CD1-CD1 3.88Å; F136-L140 HydrophobicContact CD1-CG 4.27Å; F136-L140 HydrophobicContact CE1-CD1 3.54Å; F136-L140 HydrophobicContact CE1-CD2 4.22Å; F136-L140 HydrophobicContact CE1-CG 3.91Å; F136-L140 HydrophobicContact CE2-CG 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.12Å; F136-L140 HydrophobicContact CZ-CD2 3.94Å; F136-L140 HydrophobicContact CZ-CG 4.01Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.05Å; F136-M171 HydrophobicContact CE1-SD 3.65Å; F136-M171 HydrophobicContact CZ-SD 4.22Å
137	W	98.1	Very high	97.8	Very high	25 Å²	25	51.9 Å²	51.9	10%	0.095	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-42.5	173.1	178.4	74.8	0	0	0	112.1	F132 F133 N134 L140 R141 C149 R151 I160	F132-W137 PolarHBondContact O-N 2.93Å; F133-W137 WeakPolarHBondContact O-CB 3.33Å; N134-W137 PolarHBondContact O-N 3.27Å; W137-L140 PolarHBondContact O-N 2.63Å; W137-R141 VanDerWaalsContact CE2-CD 3.46Å; W137-R141 HydrophobicContact CZ2-CG 4.5Å; W137-R141 WeakPolarHBondContact O-CG 3.43Å; W137-R141 PolarHBondContact O-N 2.91Å; W137-C149 VanDerWaalsContact CD1-SG 3.59Å; W137-R151 HydrophobicContact CD2-CG 4.38Å; W137-R151 HydrophobicContact CG-CB 4.4Å; W137-R151 HydrophobicContact CZ2-CG 4.35Å; W137-I160 HydrophobicContact CB-CD1 3.89Å; W137-I160 HydrophobicContact CG-CD1 4.38Å
138	E	98	Very high	97.6	Very high	78 Å²	78	58.1 Å²	58.1	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-37.4	173.1	-73.1	-64.7	169.5	0	0	112.5	N134 F136 R141 K142	N134-E138 PolarHBondContact O-N 2.88Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.17Å; E138-R141 PolarHBondContact O-N 3.45Å; E138-R141 IonicContact OE1-NH1 3.54Å; E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 3.44Å
139	L	98.1	Very high	97.6	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-44.3	173.9	177.5	64.7	0	0	0	111.6	L74 W78 S135 F136 K142 Q143	L74-L139 HydrophobicContact CD2-CD2 4.35Å; L74-L139 HydrophobicContact CD2-CG 4.42Å; W78-L139 HydrophobicContact CB-CD2 3.82Å; W78-L139 HydrophobicContact CG-CD2 4.48Å; S135-L139 PolarHBondContact O-N 2.88Å; F136-L139 HydrophobicContact CD2-CD2 4.17Å; F136-L139 HydrophobicContact CE2-CD2 4.38Å; F136-L139 WeakPolarHBondContact O-CB 3.4Å; F136-L139 PolarHBondContact O-N 3.09Å; F136-L139 VanDerWaalsContact O-N 3.12Å; L139-K142 PolarHBondContact O-N 3.19Å; L139-Q143 PolarHBondContact O-NE2 2.8Å
140	L	98.2	Very high	97.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.7	-73.6	172.5	0	0	0	111.3	L74 F136 W137 K142 Q143 V146 I160 M162	L74-L140 HydrophobicContact CD1-CD2 4.22Å; F136-L140 HydrophobicContact CD1-CD1 3.88Å; F136-L140 HydrophobicContact CD1-CG 4.27Å; F136-L140 HydrophobicContact CE1-CD1 3.54Å; F136-L140 HydrophobicContact CE1-CD2 4.22Å; F136-L140 HydrophobicContact CE1-CG 3.91Å; F136-L140 HydrophobicContact CE2-CG 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.12Å; F136-L140 HydrophobicContact CZ-CD2 3.94Å; F136-L140 HydrophobicContact CZ-CG 4.01Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.05Å; W137-L140 PolarHBondContact O-N 2.63Å; L140-K142 PolarHBondContact O-N 3.04Å; L140-Q143 WeakPolarHBondContact O-CB 3.42Å; L140-Q143 WeakPolarHBondContact O-CG 3.35Å; L140-Q143 PolarHBondContact O-N 2.86Å; L140-V146 VanDerWaalsContact O-CB 3.32Å; L140-V146 WeakPolarHBondContact O-CB 3.17Å; L140-V146 WeakPolarHBondContact O-CG2 3.42Å; L140-I160 HydrophobicContact CD1-CD1 4.39Å; L140-I160 HydrophobicContact CD1-CG2 4.15Å; L140-M162 HydrophobicContact CD1-CE 3.98Å; L140-M162 HydrophobicContact CD1-SD 3.9Å; L140-M162 HydrophobicContact CD2-CE 4.15Å; L140-M162 HydrophobicContact CD2-SD 3.97Å; L140-M162 HydrophobicContact CG-SD 4.4Å
141	R	97.3	Very high	97.3	Very high	133 Å²	133	59.4 Å²	59.4	50%	0.502	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-21.6	-179.7	-74.1	-177	68	-159.2	3.4	114.7	W137 E138 Q143 C149	W137-R141 VanDerWaalsContact CE2-CD 3.46Å; W137-R141 HydrophobicContact CZ2-CG 4.5Å; W137-R141 WeakPolarHBondContact O-CG 3.43Å; W137-R141 PolarHBondContact O-N 2.91Å; E138-R141 PolarHBondContact O-N 3.45Å; E138-R141 IonicContact OE1-NH1 3.54Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; R141-C149 HydrophobicContact CG-CB 3.94Å
142	K	97.6	Very high	97.1	Very high	156 Å²	156	61.3 Å²	61.3	68%	0.678	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.1	176.1	-71.1	169.9	-176	175.7	0	113	E138 L139 L140	E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 3.44Å; L139-K142 PolarHBondContact O-N 3.19Å; L140-K142 PolarHBondContact O-N 3.04Å
143	Q	98	Very high	96.8	Very high	47 Å²	47	64.7 Å²	64.7	22%	0.22	32%	0.32	C	S	.	.	S	Bend	trans	-76	130.2	178.3	-52.8	-49.3	-57.2	0	0	109.9	L74 L139 L140 R141 E145 V146	L74-Q143 HydrophobicContact CD1-CG 3.88Å; L74-Q143 HydrophobicContact CD2-CG 4.33Å; L139-Q143 PolarHBondContact O-NE2 2.8Å; L140-Q143 WeakPolarHBondContact O-CB 3.42Å; L140-Q143 WeakPolarHBondContact O-CG 3.35Å; L140-Q143 PolarHBondContact O-N 2.86Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-E145 PolarHBondContact O-N 2.81Å; Q143-V146 HydrophobicContact CB-CB 4.29Å; Q143-V146 HydrophobicContact CB-CG2 3.86Å; Q143-V146 HydrophobicContact CG-CG2 4.46Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.12Å
144	P	97.2	Very high	96.2	Very high	117 Å²	117	72.7 Å²	72.7	76%	0.76	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-179	25.1	-32.9	0	0	0	113.1	V146	P144-V146 VanDerWaalsContact C-N 3.31Å
145	E	97.4	Very high	95.6	Very high	52 Å²	52	70.7 Å²	70.7	24%	0.243	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.1	177.6	-55.5	99.2	135.2	0	0	113.8	K70 Q143 F164 D165	K70-E145 IonicContact NZ-OE1 2.85Å; K70-E145 PolarHBondContact NZ-OE1 3.12Å; Q143-E145 PolarHBondContact O-N 2.81Å; E145-F164 HydrophobicContact CB-CD1 3.88Å; E145-F164 HydrophobicContact CB-CE1 3.59Å; E145-F164 HydrophobicContact CB-CZ 4.2Å; E145-F164 HydrophobicContact CG-CE1 4.16Å; E145-D165 HydrophobicContact CB-CB 4.37Å; E145-D165 PolarHBondContact O-N 2.65Å
146	V	98.2	Very high	95.1	Very high	17 Å²	17	75.2 Å²	75.2	10%	0.103	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.3	-174.1	173.5	0	0	0	0	110.7	L140 Q143 P144 C149 M162 K163 F164	L140-V146 VanDerWaalsContact O-CB 3.32Å; L140-V146 WeakPolarHBondContact O-CB 3.17Å; L140-V146 WeakPolarHBondContact O-CG2 3.42Å; Q143-V146 HydrophobicContact CB-CB 4.29Å; Q143-V146 HydrophobicContact CB-CG2 3.86Å; Q143-V146 HydrophobicContact CG-CG2 4.46Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.12Å; P144-V146 VanDerWaalsContact C-N 3.31Å; V146-C149 HydrophobicContact CG1-CB 3.72Å; V146-M162 HydrophobicContact CG1-CB 4.3Å; V146-M162 HydrophobicContact CG1-SD 4.38Å; V146-M162 HydrophobicContact CG2-SD 4.46Å; V146-K163 CarbonylContact C-O 3.42Å; V146-K163 WeakPolarHBondContact CA-O 3.49Å; V146-F164 HydrophobicContact CG2-CD2 3.35Å; V146-F164 HydrophobicContact CG2-CE2 3.61Å; V146-F164 HydrophobicContact CG2-CG 4Å; V146-F164 HydrophobicContact CG2-CZ 4.44Å
147	T	97.3	Very high	94.8	Very high	71 Å²	71	77.1 Å²	77.1	44%	0.436	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	165.5	170.7	59.1	0	0	0	0	110.3	C149 K163	T147-C149 PolarHBondContact O-N 2.79Å; T147-K163 PolarHBondContact N-O 2.76Å; T147-K163 PolarHBondContact O-N 2.88Å
148	E	95.2	Very high	94.7	Very high	131 Å²	131	76 Å²	76	61%	0.612	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54	32.6	174.5	-58.1	177.5	-141.6	0	0	114.7	L150 K163	E148-L150 PolarHBondContact O-N 2.97Å; E148-K163 HydrophobicContact CB-CB 4.35Å
149	C	96.4	Very high	94.7	Very high	16 Å²	16	72.9 Å²	72.9	11%	0.108	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.1	-175.3	-169.6	0	0	0	0	112.3	W137 R141 V146 T147 K161 M162	W137-C149 VanDerWaalsContact CD1-SG 3.59Å; R141-C149 HydrophobicContact CG-CB 3.94Å; V146-C149 HydrophobicContact CG1-CB 3.72Å; T147-C149 PolarHBondContact O-N 2.79Å; C149-K161 CarbonylContact C-O 3.54Å; C149-K161 WeakPolarHBondContact CA-O 3.47Å; C149-M162 HydrophobicContact CB-CB 4.08Å
150	L	94.9	Very high	94.7	Very high	109 Å²	109	70.6 Å²	70.6	57%	0.571	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.6	-175.9	-61.9	175.1	0	0	0	110.8	E148 I160 K161	E148-L150 PolarHBondContact O-N 2.97Å; L150-I160 CarbonylContact O-C 3.6Å; L150-I160 VanDerWaalsContact O-CA 3.32Å; L150-I160 WeakPolarHBondContact O-CA 3.46Å; L150-K161 PolarHBondContact N-O 2.9Å; L150-K161 PolarHBondContact O-N 3.44Å
151	R	94	Very high	94.7	Very high	96 Å²	96	74.1 Å²	74.1	36%	0.362	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.1	171.9	58	-179.6	-178.4	-177.9	4.8	111	F133 N134 W137 E153 I160	F133-R151 HydrophobicContact CD1-CB 3.88Å; F133-R151 HydrophobicContact CE1-CB 4.48Å; F133-R151 VanDerWaalsContact O-CD 3.24Å; F133-R151 WeakPolarHBondContact O-CD 3.04Å; F133-R151 PolarHBondContact O-NH1 3.41Å; N134-R151 PolarHBondContact OD1-NH1 3.16Å; W137-R151 HydrophobicContact CD2-CG 4.38Å; W137-R151 HydrophobicContact CG-CB 4.4Å; W137-R151 HydrophobicContact CZ2-CG 4.35Å; R151-E153 IonicContact NE-OE1 3.55Å; R151-I160 HydrophobicContact CB-CG1 4.33Å
152	I	92.6	Very high	94.7	Very high	65 Å²	65	68.2 Å²	68.2	33%	0.333	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	95	-179.1	-51.4	177.3	0	0	0	108.5	A155 P158 V159 K161	I152-A155 HydrophobicContact CG2-CB 3.87Å; I152-P158 VanDerWaalsContact O-CA 3.26Å; I152-P158 WeakPolarHBondContact O-CA 3.19Å; I152-V159 HydrophobicContact CB-CG1 4.06Å; I152-V159 HydrophobicContact CD1-CG1 4.22Å; I152-V159 HydrophobicContact CG1-CG1 4.48Å; I152-V159 PolarHBondContact N-O 3.18Å; I152-V159 PolarHBondContact O-N 3.12Å; I152-K161 HydrophobicContact CD1-CD 3.81Å; I152-K161 HydrophobicContact CD1-CG 4.22Å
153	E	92.6	Very high	94.7	Very high	71 Å²	71	63.8 Å²	63.8	33%	0.332	33%	0.327	S	S	.	.			trans	-92.4	-27.7	-171	-64.9	-176.8	-119.6	0	0	114.3	F133 R151 A155 P158 K199	F133-E153 HydrophobicContact CB-CG 4.05Å; F133-E153 HydrophobicContact CD1-CG 3.73Å; F133-E153 HydrophobicContact CD2-CG 3.99Å; F133-E153 HydrophobicContact CE1-CG 4.14Å; F133-E153 HydrophobicContact CE2-CG 4.41Å; F133-E153 HydrophobicContact CG-CG 3.64Å; F133-E153 HydrophobicContact CZ-CG 4.49Å; R151-E153 IonicContact NE-OE1 3.55Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.28Å; E153-P158 WeakPolarHBondContact O-CG 3.34Å; E153-K199 PolarHBondContact O-NZ 2.96Å; E153-K199 VanDerWaalsContact O-NZ 3.09Å
154	D	85.5	Confident	94.7	Very high	169 Å²	169	61.6 Å²	61.6	90%	0.904	32%	0.317	S	S	*	.	S	Bend	trans	-87.1	0.5	-174.6	-66.3	-36.5	0	0	0	113.6
155	A	85.7	Confident	94.6	Very high	34 Å²	34	59.3 Å²	59.3	28%	0.281	30%	0.298	S	S	.	.	S	Bend	trans	-72.7	160.2	177.6	0	0	0	0	0	112.7	I152 E153 V157	I152-A155 HydrophobicContact CG2-CB 3.87Å; E153-A155 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 3.28Å; A155-V157 PolarHBondContact O-N 3.3Å
156	F	85.8	Confident	94.5	Very high	143 Å²	143	59.2 Å²	59.2	63%	0.627	31%	0.311	S	S	*	.	S	Bend	trans	-55.7	-35.9	175.6	-178.5	-103.6	0	0	0	112.6	R202	F156-R202 HydrophobicContact CE1-CG 4.22Å; F156-R202 HydrophobicContact CZ-CG 4.38Å; F156-R202 VanDerWaalsContact CZ-CZ 3.47Å; F156-R202 VanDerWaalsContact CZ-NE 3.34Å; F156-R202 WeakPolarHBondContact O-CD 3.42Å; F156-R202 PolarHBondContact O-NH1 2.74Å
157	V	93.1	Very high	94.4	Very high	41 Å²	41	59 Å²	59	25%	0.248	31%	0.309	C	S	.	.	S	Bend	trans	-125.3	108.9	165.5	-168.6	0	0	0	0	107.2	A155 L172 R202 S203	A155-V157 PolarHBondContact O-N 3.3Å; V157-L172 HydrophobicContact CG1-CD1 3.89Å; V157-L172 HydrophobicContact CG1-CD2 3.93Å; V157-L172 HydrophobicContact CG1-CG 4.48Å; V157-R202 HydrophobicContact CG2-CB 3.93Å; V157-S203 WeakPolarHBondContact CG1-OG 3.38Å
158	P	96	Very high	94.4	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.013	31%	0.313	C	S	.	.			trans	-62.6	143.3	178.5	-26.1	36.4	0	0	0	112.8	F133 I152 E153 L172 K199	F133-P158 HydrophobicContact CE1-CB 4.44Å; F133-P158 HydrophobicContact CE2-CB 3.69Å; F133-P158 HydrophobicContact CZ-CB 3.39Å; I152-P158 VanDerWaalsContact O-CA 3.26Å; I152-P158 WeakPolarHBondContact O-CA 3.19Å; E153-P158 WeakPolarHBondContact O-CG 3.34Å; P158-L172 WeakPolarHBondContact O-CD2 3.42Å; P158-K199 HydrophobicContact CG-CD 3.71Å; P158-K199 HydrophobicContact CG-CG 4.19Å
159	V	97.3	Very high	94.5	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.6	-172.7	61	0	0	0	0	111.9	I152 K161 D170 L172	I152-V159 HydrophobicContact CB-CG1 4.06Å; I152-V159 HydrophobicContact CD1-CG1 4.22Å; I152-V159 HydrophobicContact CG1-CG1 4.48Å; I152-V159 PolarHBondContact N-O 3.18Å; I152-V159 PolarHBondContact O-N 3.12Å; V159-K161 HydrophobicContact CG1-CG 4.18Å; V159-K161 HydrophobicContact CG2-CG 4.17Å; V159-D170 HydrophobicContact CG2-CB 3.99Å; V159-L172 HydrophobicContact CB-CD2 3.65Å; V159-L172 HydrophobicContact CG2-CD2 3.76Å
160	I	98.3	Very high	94.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.6	159.6	-65.7	175.3	0	0	0	107.4	F132 F133 W137 L140 L150 R151 M171	F132-I160 HydrophobicContact CD1-CD1 3.92Å; F132-I160 HydrophobicContact CD1-CG1 4.4Å; F132-I160 HydrophobicContact CE1-CB 4.38Å; F132-I160 HydrophobicContact CE1-CD1 3.45Å; F132-I160 VanDerWaalsContact CE1-CD1 3.45Å; F132-I160 HydrophobicContact CE1-CG1 3.64Å; F132-I160 HydrophobicContact CE2-CD1 4.21Å; F132-I160 HydrophobicContact CG-CD1 4.5Å; F132-I160 HydrophobicContact CZ-CB 4.36Å; F132-I160 HydrophobicContact CZ-CD1 3.62Å; F132-I160 HydrophobicContact CZ-CG1 4Å; F133-I160 HydrophobicContact CD1-CD1 4.19Å; F133-I160 HydrophobicContact CD1-CG1 3.78Å; F133-I160 HydrophobicContact CE1-CD1 4.46Å; F133-I160 HydrophobicContact CE1-CG1 3.7Å; W137-I160 HydrophobicContact CB-CD1 3.89Å; W137-I160 HydrophobicContact CG-CD1 4.38Å; L140-I160 HydrophobicContact CD1-CD1 4.39Å; L140-I160 HydrophobicContact CD1-CG2 4.15Å; L150-I160 CarbonylContact O-C 3.6Å; L150-I160 VanDerWaalsContact O-CA 3.32Å; L150-I160 WeakPolarHBondContact O-CA 3.46Å; R151-I160 HydrophobicContact CB-CG1 4.33Å; I160-M171 HydrophobicContact CB-CB 4.5Å; I160-M171 PolarHBondContact N-O 3.06Å; I160-M171 PolarHBondContact O-N 3.18Å
161	K	97.7	Very high	94.7	Very high	75 Å²	75	50 Å²	50	33%	0.326	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.3	172.3	-60.7	-172.5	157.8	-82.3	0	108.8	C149 L150 I152 V159 L169 D170	C149-K161 CarbonylContact C-O 3.54Å; C149-K161 WeakPolarHBondContact CA-O 3.47Å; L150-K161 PolarHBondContact N-O 2.9Å; L150-K161 PolarHBondContact O-N 3.44Å; I152-K161 HydrophobicContact CD1-CD 3.81Å; I152-K161 HydrophobicContact CD1-CG 4.22Å; V159-K161 HydrophobicContact CG1-CG 4.18Å; V159-K161 HydrophobicContact CG2-CG 4.17Å; K161-L169 CarbonylContact C-O 3.59Å; K161-L169 WeakPolarHBondContact CA-O 3.27Å; K161-D170 WeakPolarHBondContact CG-OD1 3.4Å; K161-D170 IonicContact NZ-OD1 2.72Å; K161-D170 PolarHBondContact NZ-OD1 3.11Å; K161-D170 IonicContact NZ-OD2 3.57Å; K161-D170 PolarHBondContact NZ-OD2 2.86Å
162	M	97.9	Very high	94.9	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.5	176.5	63.5	-173.7	148.7	0	0	111.6	I71 L140 V146 C149 F164 L169 M171	I71-M162 HydrophobicContact CD1-CE 4.29Å; L140-M162 HydrophobicContact CD1-CE 3.98Å; L140-M162 HydrophobicContact CD1-SD 3.9Å; L140-M162 HydrophobicContact CD2-CE 4.15Å; L140-M162 HydrophobicContact CD2-SD 3.97Å; L140-M162 HydrophobicContact CG-SD 4.4Å; V146-M162 HydrophobicContact CG1-CB 4.3Å; V146-M162 HydrophobicContact CG1-SD 4.38Å; V146-M162 HydrophobicContact CG2-SD 4.46Å; C149-M162 HydrophobicContact CB-CB 4.08Å; M162-F164 HydrophobicContact SD-CD2 4.45Å; M162-L169 HydrophobicContact CE-CB 4.22Å; M162-L169 HydrophobicContact CE-CD1 4.47Å; M162-L169 HydrophobicContact CG-CB 3.92Å; M162-L169 HydrophobicContact CG-CD1 4.48Å; M162-L169 PolarHBondContact N-O 2.83Å; M162-L169 PolarHBondContact O-N 3.1Å; M162-M171 HydrophobicContact CE-CB 4.35Å; M162-M171 HydrophobicContact CE-CE 3.44Å; M162-M171 VanDerWaalsContact CE-CE 3.44Å; M162-M171 HydrophobicContact CE-SD 4.28Å
163	K	98	Very high	95.2	Very high	63 Å²	63	43.3 Å²	43.3	27%	0.274	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.8	165.6	-173.7	170.3	-175.5	166.1	0	108.6	V146 T147 E148 G166 I167	V146-K163 CarbonylContact C-O 3.42Å; V146-K163 WeakPolarHBondContact CA-O 3.49Å; T147-K163 PolarHBondContact N-O 2.76Å; T147-K163 PolarHBondContact O-N 2.88Å; E148-K163 HydrophobicContact CB-CB 4.35Å; K163-G166 WeakPolarHBondContact CE-O 3.45Å; K163-I167 CarbonylContact C-O 3.6Å; K163-I167 VanDerWaalsContact CA-O 3.31Å; K163-I167 WeakPolarHBondContact CA-O 3.41Å
164	F	97.5	Very high	95.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.2	179.5	-161.8	-58.3	0	0	0	108.2	V67 K70 I71 L74 E145 V146 M162 G166 I167 L169	V67-F164 HydrophobicContact CB-CD1 4.38Å; V67-F164 HydrophobicContact CG1-CB 3.88Å; V67-F164 HydrophobicContact CG1-CD1 3.88Å; V67-F164 HydrophobicContact CG1-CG 3.92Å; V67-F164 HydrophobicContact CG2-CD1 3.91Å; K70-F164 HydrophobicContact CB-CE1 4.29Å; K70-F164 HydrophobicContact CB-CZ 3.98Å; K70-F164 HydrophobicContact CD-CE1 3.82Å; K70-F164 HydrophobicContact CD-CZ 4.1Å; I71-F164 HydrophobicContact CD1-CD2 3.99Å; I71-F164 HydrophobicContact CD1-CG 4.4Å; I71-F164 HydrophobicContact CG1-CD2 3.84Å; I71-F164 HydrophobicContact CG1-CE2 3.86Å; L74-F164 HydrophobicContact CD1-CE2 4Å; L74-F164 HydrophobicContact CD1-CZ 4.43Å; E145-F164 HydrophobicContact CB-CD1 3.88Å; E145-F164 HydrophobicContact CB-CE1 3.59Å; E145-F164 HydrophobicContact CB-CZ 4.2Å; E145-F164 HydrophobicContact CG-CE1 4.16Å; V146-F164 HydrophobicContact CG2-CD2 3.35Å; V146-F164 HydrophobicContact CG2-CE2 3.61Å; V146-F164 HydrophobicContact CG2-CG 4Å; V146-F164 HydrophobicContact CG2-CZ 4.44Å; M162-F164 HydrophobicContact SD-CD2 4.45Å; F164-G166 PolarHBondContact O-N 3.32Å; F164-G166 VanDerWaalsContact O-N 3.17Å; F164-I167 PolarHBondContact N-O 2.98Å; F164-I167 PolarHBondContact O-N 2.73Å; F164-L169 HydrophobicContact CB-CD1 3.29Å; F164-L169 HydrophobicContact CG-CD1 4.27Å
165	D	95.8	Very high	96.1	Very high	69 Å²	69	35.9 Å²	35.9	37%	0.369	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.7	-177.4	-165.2	40.1	0	0	0	112.6	Q63 V67 E145 I167	Q63-D165 PolarHBondContact NE2-O 3Å; Q63-D165 PolarHBondContact NE2-OD2 2.96Å; V67-D165 HydrophobicContact CG2-CB 3.85Å; E145-D165 HydrophobicContact CB-CB 4.37Å; E145-D165 PolarHBondContact O-N 2.65Å; D165-I167 VanDerWaalsContact C-N 3.33Å; D165-I167 PolarHBondContact O-N 3.09Å
166	G	95.1	Very high	96.6	Very high	49 Å²	49	34.2 Å²	34.2	51%	0.505	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-11	-178.9	0	0	0	0	0	115.9	K163 F164	K163-G166 WeakPolarHBondContact CE-O 3.45Å; F164-G166 PolarHBondContact O-N 3.32Å; F164-G166 VanDerWaalsContact O-N 3.17Å
167	I	95.7	Very high	97.1	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.7	-179.1	-64.3	162.5	0	0	0	110.6	Q63 R64 V67 I117 K163 F164 D165	Q63-I167 HydrophobicContact CB-CD1 4.21Å; Q63-I167 HydrophobicContact CG-CD1 3.79Å; R64-I167 HydrophobicContact CB-CD1 4.38Å; R64-I167 HydrophobicContact CG-CD1 3.76Å; V67-I167 HydrophobicContact CB-CD1 4.41Å; V67-I167 HydrophobicContact CG2-CD1 3.91Å; I117-I167 HydrophobicContact CD1-CG2 3.88Å; I117-I167 HydrophobicContact CG1-CG2 3.99Å; K163-I167 CarbonylContact C-O 3.6Å; K163-I167 VanDerWaalsContact CA-O 3.31Å; K163-I167 WeakPolarHBondContact CA-O 3.41Å; F164-I167 PolarHBondContact N-O 2.98Å; F164-I167 PolarHBondContact O-N 2.73Å; D165-I167 VanDerWaalsContact C-N 3.33Å; D165-I167 PolarHBondContact O-N 3.09Å
168	E	97.3	Very high	97.3	Very high	108 Å²	108	32.4 Å²	32.4	51%	0.505	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.3	172.9	-66.9	-178.6	-170.6	0	0	111.2	D116 I117	D116-E168 WeakPolarHBondContact CA-O 3.17Å; D116-E168 HydrophobicContact CB-CB 4.16Å; I117-E168 PolarHBondContact N-O 3.3Å
169	L	97.6	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.6	-176.8	-80.5	146.7	0	0	0	110.7	V67 I71 I117 T119 K161 M162 F164	V67-L169 HydrophobicContact CG1-CD1 3.6Å; I71-L169 HydrophobicContact CD1-CD1 3.52Å; I71-L169 HydrophobicContact CD1-CD2 3.94Å; I71-L169 HydrophobicContact CD1-CG 4.36Å; I117-L169 HydrophobicContact CB-CD2 3.77Å; I117-L169 HydrophobicContact CB-CG 4.47Å; I117-L169 HydrophobicContact CD1-CD2 4.43Å; I117-L169 HydrophobicContact CG2-CD2 4.28Å; T119-L169 HydrophobicContact CG2-CD2 3.7Å; K161-L169 CarbonylContact C-O 3.59Å; K161-L169 WeakPolarHBondContact CA-O 3.27Å; M162-L169 HydrophobicContact CE-CB 4.22Å; M162-L169 HydrophobicContact CE-CD1 4.47Å; M162-L169 HydrophobicContact CG-CB 3.92Å; M162-L169 HydrophobicContact CG-CD1 4.48Å; M162-L169 PolarHBondContact N-O 2.83Å; M162-L169 PolarHBondContact O-N 3.1Å; F164-L169 HydrophobicContact CB-CD1 3.29Å; F164-L169 HydrophobicContact CG-CD1 4.27Å
170	D	97.8	Very high	97.2	Very high	29 Å²	29	41.5 Å²	41.5	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.5	170	-83.6	11.1	0	0	0	108	I117 T119 V159 K161	I117-D170 PolarHBondContact O-N 3.17Å; I117-D170 VanDerWaalsContact O-N 3.07Å; T119-D170 PolarHBondContact N-O 2.98Å; T119-D170 PolarHBondContact OG1-O 3.3Å; V159-D170 HydrophobicContact CG2-CB 3.99Å; K161-D170 WeakPolarHBondContact CG-OD1 3.4Å; K161-D170 IonicContact NZ-OD1 2.72Å; K161-D170 PolarHBondContact NZ-OD1 3.11Å; K161-D170 IonicContact NZ-OD2 3.57Å; K161-D170 PolarHBondContact NZ-OD2 2.86Å
171	M	98.3	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.1	-177.4	-163.1	172.1	-68.4	0	0	112.2	I71 T119 C121 F132 F136 I160 M162	I71-M171 HydrophobicContact CB-CE 4.48Å; I71-M171 HydrophobicContact CD1-CE 4.08Å; I71-M171 HydrophobicContact CG1-CE 4.43Å; I71-M171 HydrophobicContact CG2-CE 3.31Å; T119-M171 WeakPolarHBondContact O-CA 3.23Å; T119-M171 VanDerWaalsContact OG1-CA 3.31Å; T119-M171 WeakPolarHBondContact OG1-CA 3.36Å; T119-M171 WeakPolarHBondContact OG1-CB 3.47Å; T119-M171 WeakPolarHBondContact OG1-CG 3.37Å; C121-M171 HydrophobicContact CB-CG 4.42Å; C121-M171 HydrophobicContact CB-SD 4.4Å; F132-M171 HydrophobicContact CE2-CG 4.13Å; F132-M171 HydrophobicContact CE2-SD 4.04Å; F132-M171 HydrophobicContact CZ-CB 4.26Å; F132-M171 HydrophobicContact CZ-CG 3.88Å; F132-M171 HydrophobicContact CZ-SD 4.29Å; F136-M171 HydrophobicContact CE1-SD 3.65Å; F136-M171 HydrophobicContact CZ-SD 4.22Å; I160-M171 HydrophobicContact CB-CB 4.5Å; I160-M171 PolarHBondContact N-O 3.06Å; I160-M171 PolarHBondContact O-N 3.18Å; M162-M171 HydrophobicContact CE-CB 4.35Å; M162-M171 HydrophobicContact CE-CE 3.44Å; M162-M171 VanDerWaalsContact CE-CE 3.44Å; M162-M171 HydrophobicContact CE-SD 4.28Å
172	L	98.4	Very high	97.1	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.094	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	165	172.6	-53.2	-171.1	0	0	0	110.5	F103 T119 L120 C121 V157 P158 V159	F103-L172 HydrophobicContact CE1-CD1 3.91Å; F103-L172 HydrophobicContact CE1-CG 4.25Å; F103-L172 HydrophobicContact CE2-CD1 4.47Å; F103-L172 HydrophobicContact CZ-CD1 3.49Å; F103-L172 VanDerWaalsContact CZ-CD1 3.49Å; F103-L172 HydrophobicContact CZ-CG 4.07Å; T119-L172 PolarHBondContact O-N 3.44Å; L120-L172 HydrophobicContact CD1-CB 3.64Å; C121-L172 PolarHBondContact N-O 2.94Å; V157-L172 HydrophobicContact CG1-CD1 3.89Å; V157-L172 HydrophobicContact CG1-CD2 3.93Å; V157-L172 HydrophobicContact CG1-CG 4.48Å; P158-L172 WeakPolarHBondContact O-CD2 3.42Å; V159-L172 HydrophobicContact CB-CD2 3.65Å; V159-L172 HydrophobicContact CG2-CD2 3.76Å
173	F	98.5	Very high	96.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.8	175.3	177.5	-97.9	0	0	0	111.8	W78 C121 A123 I127 R129 F132 R175 S203	W78-F173 HydrophobicContact CH2-CE2 4.33Å; C121-F173 HydrophobicContact CB-CD2 4.27Å; C121-F173 WeakPolarHBondContact O-CA 3.39Å; A123-F173 HydrophobicContact CB-CE2 3.76Å; A123-F173 HydrophobicContact CB-CZ 4.13Å; I127-F173 HydrophobicContact CG2-CE2 4.25Å; I127-F173 HydrophobicContact CG2-CZ 4.18Å; R129-F173 VanDerWaalsContact CA-CE1 3.44Å; R129-F173 HydrophobicContact CB-CD1 3.93Å; R129-F173 HydrophobicContact CB-CE1 3.93Å; R129-F173 HydrophobicContact CG-CD1 4.21Å; F132-F173 HydrophobicContact CB-CB 4.28Å; F132-F173 HydrophobicContact CB-CD1 4.36Å; F132-F173 HydrophobicContact CB-CD2 3.6Å; F132-F173 HydrophobicContact CB-CE2 3.94Å; F132-F173 HydrophobicContact CB-CG 3.82Å; F132-F173 HydrophobicContact CB-CZ 4.47Å; F132-F173 HydrophobicContact CD1-CB 3.5Å; F132-F173 VanDerWaalsContact CD1-CB 3.5Å; F132-F173 HydrophobicContact CD1-CD2 4.31Å; F132-F173 HydrophobicContact CD1-CG 4.01Å; F132-F173 HydrophobicContact CD2-CB 4.01Å; F132-F173 AromaticContact CD2-CD2 3.56Å; F132-F173 HydrophobicContact CD2-CD2 3.56Å; F132-F173 HydrophobicContact CD2-CE2 4.39Å; F132-F173 HydrophobicContact CD2-CG 4.09Å; F132-F173 HydrophobicContact CE1-CB 3.68Å; F132-F173 HydrophobicContact CE2-CB 4.19Å; F132-F173 HydrophobicContact CE2-CD2 4.29Å; F132-F173 HydrophobicContact CG-CB 3.66Å; F132-F173 AromaticContact CG-CD2 3.56Å; F132-F173 HydrophobicContact CG-CD2 3.56Å; F132-F173 HydrophobicContact CG-CE2 4.37Å; F132-F173 AromaticContact CG-CG 3.71Å; F132-F173 HydrophobicContact CG-CG 3.71Å; F132-F173 HydrophobicContact CZ-CB 4.03Å; F173-R175 HydrophobicContact CE1-CB 3.96Å; F173-R175 HydrophobicContact CZ-CB 4.11Å; F173-S203 WeakPolarHBondContact O-CB 3.38Å; F173-S203 PolarHBondContact O-OG 3.24Å
174	A	98.3	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.1	168.8	0	0	0	0	0	110.9	L120 C121 V122 A123 C200 L204	L120-A174 HydrophobicContact CD1-CB 3.87Å; L120-A174 HydrophobicContact CD2-CB 4.44Å; C121-A174 PolarHBondContact O-N 3.3Å; V122-A174 VanDerWaalsContact CA-O 3.3Å; V122-A174 WeakPolarHBondContact CA-O 3.11Å; A123-A174 PolarHBondContact N-O 3.41Å; A174-C200 HydrophobicContact CB-CB 4.46Å; A174-L204 HydrophobicContact CB-CD1 4.27Å; A174-L204 HydrophobicContact CB-CD2 3.81Å; A174-L204 HydrophobicContact CB-CG 3.65Å
175	R	97.5	Very high	96.6	Very high	84 Å²	84	52.8 Å²	52.8	32%	0.317	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.4	172.2	-179.1	-178.6	76.2	162.6	-21.6	108.8	A123 P124 R125 I127 F173 L196 C200	A123-R175 WeakPolarHBondContact O-CA 3.33Å; P124-R175 WeakPolarHBondContact O-CG 3.39Å; R125-R175 WeakPolarHBondContact O-CD 3.3Å; R125-R175 PolarHBondContact O-NH1 3.18Å; I127-R175 WeakPolarHBondContact O-CD 3.34Å; I127-R175 WeakPolarHBondContact O-CG 3.37Å; F173-R175 HydrophobicContact CE1-CB 3.96Å; F173-R175 HydrophobicContact CZ-CB 4.11Å; R175-L196 WeakPolarHBondContact O-CD2 3.42Å; R175-C200 PolarHBondContact N-SG 3.06Å
176	L	97.6	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.			trans	-85.7	152.7	173.3	-60.5	-178.5	0	0	0	110.5	V122 A123 R125 L178 V181 Q185 L187 L192 L196 L204	V122-L176 HydrophobicContact CG1-CD1 3.48Å; V122-L176 VanDerWaalsContact CG1-CD1 3.48Å; V122-L176 HydrophobicContact CG1-CD2 4.37Å; V122-L176 HydrophobicContact CG1-CG 3.59Å; A123-L176 PolarHBondContact O-N 3.48Å; R125-L176 VanDerWaalsContact CA-O 3.26Å; R125-L176 WeakPolarHBondContact CA-O 3.4Å; R125-L176 WeakPolarHBondContact CB-O 3.32Å; R125-L176 PolarHBondContact N-O 2.85Å; L176-L178 HydrophobicContact CB-CB 4.3Å; L176-L178 HydrophobicContact CB-CD1 4.2Å; L176-L178 HydrophobicContact CB-CG 4.02Å; L176-L178 HydrophobicContact CD1-CD1 3.86Å; L176-L178 PolarHBondContact O-N 2.81Å; L176-V181 HydrophobicContact CD1-CG2 4.31Å; L176-Q185 HydrophobicContact CD1-CG 4.41Å; L176-L187 HydrophobicContact CD1-CD2 4.32Å; L176-L192 HydrophobicContact CD1-CD2 4.29Å; L176-L192 HydrophobicContact CD2-CB 4.38Å; L176-L196 HydrophobicContact CD2-CD1 4.33Å; L176-L204 HydrophobicContact CD2-CD1 4.04Å; L176-L204 HydrophobicContact CD2-CD2 4.11Å
177	N	96.1	Very high	96.7	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	25%	0.247	S	C	.	.	S	Bend	trans	-79.6	44	171.1	-170	30.2	0	0	0	111.9	L196	N177-L196 HydrophobicContact CB-CD2 4.34Å
178	L	96.8	Very high	96.6	Very high	55 Å²	55	53.6 Å²	53.6	29%	0.288	26%	0.262	S	S	.	.	S	Bend	trans	-114.4	150.7	179.1	-60.6	178.9	0	0	0	109.6	R125 L176 E180 L192	R125-L178 WeakPolarHBondContact CB-O 3.44Å; R125-L178 VanDerWaalsContact CG-O 3.31Å; R125-L178 WeakPolarHBondContact CG-O 3.35Å; R125-L178 PolarHBondContact N-O 3.03Å; L176-L178 HydrophobicContact CB-CB 4.3Å; L176-L178 HydrophobicContact CB-CD1 4.2Å; L176-L178 HydrophobicContact CB-CG 4.02Å; L176-L178 HydrophobicContact CD1-CD1 3.86Å; L176-L178 PolarHBondContact O-N 2.81Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 WeakPolarHBondContact CB-O 3.44Å; L178-L192 HydrophobicContact CD1-CD2 3.97Å; L178-L192 HydrophobicContact CG-CD2 4.44Å
179	K	95.4	Very high	96.4	Very high	142 Å²	142	52 Å²	52	62%	0.617	26%	0.257	S	S	*	.	S	Bend	trans	-70.9	-33.8	174.2	-69	-177.7	-179	179.5	0	111.8	P124	P124-K179 WeakPolarHBondContact CB-O 3.45Å
180	E	96.4	Very high	96.2	Very high	63 Å²	63	53.9 Å²	53.9	29%	0.294	27%	0.267	S	S	.	.			trans	-140.7	152.4	-173.6	-53.1	-179	-164.5	0	0	108.4	V96 L178 H182	V96-E180 CarbonylContact O-C 3.27Å; V96-E180 VanDerWaalsContact O-CA 3.3Å; V96-E180 WeakPolarHBondContact O-CA 3.48Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 WeakPolarHBondContact CB-O 3.44Å; E180-H182 IonicContact OE2-CE1 3.94Å; E180-H182 PolarHBondContact OE2-CE1 2.78Å; E180-H182 IonicContact OE2-NE2 3.48Å
181	V	97.3	Very high	96	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-128.7	95.5	177.1	173.6	0	0	0	0	107.5	V96 G97 G98 K99 V122 P124 L176 Q185	V96-V181 PolarHBondContact O-N 3.26Å; G97-V181 CarbonylContact C-O 3.53Å; G97-V181 WeakPolarHBondContact CA-O 3.41Å; G98-V181 PolarHBondContact N-O 2.97Å; K99-V181 HydrophobicContact CB-CG1 4.11Å; V122-V181 HydrophobicContact CG1-CG1 4.09Å; V122-V181 HydrophobicContact CG1-CG2 4.45Å; P124-V181 HydrophobicContact CB-CG2 4.31Å; P124-V181 HydrophobicContact CG-CB 4.26Å; P124-V181 HydrophobicContact CG-CG2 3.95Å; L176-V181 HydrophobicContact CD1-CG2 4.31Å; V181-Q185 HydrophobicContact CG1-CB 4.14Å; V181-Q185 HydrophobicContact CG1-CG 4.12Å
182	H	95.5	Very high	95.9	Very high	93 Å²	93	57.3 Å²	57.3	43%	0.431	29%	0.285	S	S	.	.			trans	-73.4	167.2	-175.6	-56.9	-64.7	0	0	0	113	E180 D184 Q185	E180-H182 IonicContact OE2-CE1 3.94Å; E180-H182 PolarHBondContact OE2-CE1 2.78Å; E180-H182 IonicContact OE2-NE2 3.48Å; H182-D184 WeakPolarHBondContact CB-OD1 3.5Å; H182-D184 PolarHBondContact O-N 2.82Å; H182-Q185 WeakPolarHBondContact O-CB 3.19Å; H182-Q185 PolarHBondContact O-N 3.31Å; H182-Q185 VanDerWaalsContact O-N 3.13Å
183	E	92.5	Very high	95.7	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.612	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.9	-179.5	-43.7	-157.3	122.4	0	0	113.1	R76 K99 Q185	R76-E183 IonicContact CZ-OE1 2.8Å; R76-E183 IonicContact NH1-OE1 2.66Å; R76-E183 PolarHBondContact NH1-OE1 3.2Å; R76-E183 VanDerWaalsContact NH2-CD 3.3Å; R76-E183 IonicContact NH2-OE1 2.88Å; R76-E183 PolarHBondContact NH2-OE1 2.94Å; K99-E183 WeakPolarHBondContact CD-O 3.3Å; K99-E183 VanDerWaalsContact CE-O 3.3Å; K99-E183 WeakPolarHBondContact CE-O 3.38Å; K99-E183 PolarHBondContact NZ-O 2.87Å; E183-Q185 VanDerWaalsContact C-N 3.3Å
184	D	94.8	Very high	95.4	Very high	126 Å²	126	58.4 Å²	58.4	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.9	179.2	64.7	-24.7	0	0	0	112.7	H182 T186	H182-D184 WeakPolarHBondContact CB-OD1 3.5Å; H182-D184 PolarHBondContact O-N 2.82Å; D184-T186 PolarHBondContact O-N 3.32Å
185	Q	96.4	Very high	95.1	Very high	35 Å²	35	64.8 Å²	64.8	16%	0.164	33%	0.325	C	S	.	.			trans	-50.8	127.3	178.1	-177.5	67	59.8	0	0	110.9	K99 F101 L176 V181 H182 E183	K99-Q185 PolarHBondContact NZ-O 3.06Å; F101-Q185 WeakPolarHBondContact CE1-O 3.38Å; F101-Q185 WeakPolarHBondContact CZ-O 3.45Å; L176-Q185 HydrophobicContact CD1-CG 4.41Å; V181-Q185 HydrophobicContact CG1-CB 4.14Å; V181-Q185 HydrophobicContact CG1-CG 4.12Å; H182-Q185 WeakPolarHBondContact O-CB 3.19Å; H182-Q185 PolarHBondContact O-N 3.31Å; H182-Q185 VanDerWaalsContact O-N 3.13Å; E183-Q185 VanDerWaalsContact C-N 3.3Å
186	T	96.2	Very high	95	Very high	74 Å²	74	61.9 Å²	61.9	45%	0.454	32%	0.316	S	S	.	.			trans	-106.5	165.9	171.9	61.7	0	0	0	0	110.6	D184 D188 L192	D184-T186 PolarHBondContact O-N 3.32Å; T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact OG1-OD1 3.18Å; T186-L192 WeakPolarHBondContact O-CD1 3.45Å
187	L	96.6	Very high	94.7	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	33%	0.329	C	S	.	.	S	Bend	trans	-116.3	14.1	-179.4	-59	178.8	0	0	0	112.7	F101 L120 V122 L176 L192 L204 C207 R208	F101-L187 HydrophobicContact CD1-CD1 3.93Å; F101-L187 HydrophobicContact CD1-CG 4.28Å; F101-L187 HydrophobicContact CD2-CD1 4.11Å; F101-L187 HydrophobicContact CE1-CD1 3.99Å; F101-L187 HydrophobicContact CE1-CG 3.82Å; F101-L187 HydrophobicContact CE2-CD1 4.15Å; F101-L187 HydrophobicContact CE2-CD2 4.31Å; F101-L187 HydrophobicContact CE2-CG 4.24Å; F101-L187 HydrophobicContact CG-CD1 3.98Å; F101-L187 HydrophobicContact CZ-CD1 4.08Å; F101-L187 HydrophobicContact CZ-CD2 4.08Å; F101-L187 HydrophobicContact CZ-CG 3.78Å; L120-L187 HydrophobicContact CD2-CD1 4.09Å; V122-L187 HydrophobicContact CG2-CD1 4.38Å; V122-L187 HydrophobicContact CG2-CD2 4.47Å; L176-L187 HydrophobicContact CD1-CD2 4.32Å; L187-L192 HydrophobicContact CD2-CD1 4.24Å; L187-L204 HydrophobicContact CD1-CD2 3.95Å; L187-L204 HydrophobicContact CD2-CD2 3.87Å; L187-L204 HydrophobicContact CG-CD2 4.46Å; L187-C207 HydrophobicContact CD1-CB 3.74Å; L187-R208 HydrophobicContact CB-CG 3.89Å; L187-R208 WeakPolarHBondContact O-CD 3.44Å; L187-R208 VanDerWaalsContact O-CG 3.31Å; L187-R208 WeakPolarHBondContact O-CG 3.44Å; L187-R208 PolarHBondContact O-NE 3.11Å
188	D	93.4	Very high	94.6	Very high	71 Å²	71	65.9 Å²	65.9	38%	0.38	33%	0.333	S	S	.	.			trans	-81.8	-19.5	-174	56.9	-35.2	0	0	0	114.5	T186 D190 R215	T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact OG1-OD1 3.18Å; D188-D190 PolarHBondContact O-N 2.98Å; D188-R215 VanDerWaalsContact CB-NH1 3.35Å; D188-R215 VanDerWaalsContact CB-NH2 3.32Å; D188-R215 VanDerWaalsContact CG-NH2 3.3Å; D188-R215 IonicContact OD2-CZ 3.76Å; D188-R215 IonicContact OD2-NH1 2.94Å; D188-R215 IonicContact OD2-NH2 2.76Å; D188-R215 PolarHBondContact OD2-NH2 2.98Å
189	D	93.5	Very high	94.5	Very high	76 Å²	76	66.6 Å²	66.6	41%	0.406	33%	0.334	S	S	.	.			trans	-74.3	121.8	173.6	-173.1	0.8	0	0	0	111.4	N191 L192 R208	D189-N191 PolarHBondContact O-N 3.45Å; D189-N191 WeakPolarHBondContact OD1-CB 3.49Å; D189-N191 PolarHBondContact OD1-N 3.02Å; D189-N191 PolarHBondContact OD1-ND2 3.04Å; D189-N191 PolarHBondContact OD2-ND2 3.21Å; D189-L192 HydrophobicContact CB-CD1 4.45Å; D189-L192 HydrophobicContact CB-CG 4.3Å; D189-L192 WeakPolarHBondContact O-CB 3.32Å; D189-L192 WeakPolarHBondContact O-CG 3.48Å; D189-L192 PolarHBondContact O-N 2.77Å; D189-R208 PolarHBondContact O-NH2 3.37Å
190	D	93.5	Very high	94.5	Very high	38 Å²	38	59.9 Å²	59.9	20%	0.203	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62	-27.5	174.9	-72.2	-34.2	0	0	0	112.3	D188 L192 L193 R208 F300 F328	D188-D190 PolarHBondContact O-N 2.98Å; D190-L192 PolarHBondContact O-N 2.97Å; D190-L192 VanDerWaalsContact O-N 3.11Å; D190-L193 WeakPolarHBondContact O-CB 3.4Å; D190-L193 PolarHBondContact O-N 2.83Å; D190-R208 IonicContact OD1-CZ 2.62Å; D190-R208 IonicContact OD1-NH1 2.89Å; D190-R208 IonicContact OD1-NH2 3.93Å; D190-R208 PolarHBondContact OD1-NH2 3.45Å; D190-F300 HydrophobicContact CB-CE1 4.15Å; D190-F300 HydrophobicContact CB-CZ 3.92Å; D190-F300 VanDerWaalsContact O-CE1 3.27Å; D190-F300 WeakPolarHBondContact O-CE1 3.2Å; D190-F328 HydrophobicContact CB-CD1 4.48Å; D190-F328 WeakPolarHBondContact OD1-CB 3.31Å
191	N	93.5	Very high	94.5	Very high	82 Å²	82	57.2 Å²	57.2	44%	0.439	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.4	-22.3	179.2	-64.1	-50.6	0	0	0	113.1	D189 L193 L194	D189-N191 PolarHBondContact O-N 3.45Å; D189-N191 WeakPolarHBondContact OD1-CB 3.49Å; D189-N191 PolarHBondContact OD1-N 3.02Å; D189-N191 PolarHBondContact OD1-ND2 3.04Å; D189-N191 PolarHBondContact OD2-ND2 3.21Å; N191-L193 PolarHBondContact O-N 2.79Å; N191-L193 VanDerWaalsContact O-N 3.17Å; N191-L194 HydrophobicContact CB-CD1 4.35Å; N191-L194 WeakPolarHBondContact O-CB 3.46Å; N191-L194 WeakPolarHBondContact O-CG 3.42Å; N191-L194 PolarHBondContact O-N 2.95Å; N191-L194 VanDerWaalsContact O-N 3.1Å
192	L	95.1	Very high	94.3	Very high	20 Å²	20	60.3 Å²	60.3	11%	0.105	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.4	174.2	-66.3	174.8	0	0	0	112.7	L176 L178 T186 L187 D189 D190 L194 L196	L176-L192 HydrophobicContact CD1-CD2 4.29Å; L176-L192 HydrophobicContact CD2-CB 4.38Å; L178-L192 HydrophobicContact CD1-CD2 3.97Å; L178-L192 HydrophobicContact CG-CD2 4.44Å; T186-L192 WeakPolarHBondContact O-CD1 3.45Å; L187-L192 HydrophobicContact CD2-CD1 4.24Å; D189-L192 HydrophobicContact CB-CD1 4.45Å; D189-L192 HydrophobicContact CB-CG 4.3Å; D189-L192 WeakPolarHBondContact O-CB 3.32Å; D189-L192 WeakPolarHBondContact O-CG 3.48Å; D189-L192 PolarHBondContact O-N 2.77Å; D190-L192 PolarHBondContact O-N 2.97Å; D190-L192 VanDerWaalsContact O-N 3.11Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L196 WeakPolarHBondContact O-CD1 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å
193	L	95.2	Very high	94.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-79.5	-13.8	178.2	-58.7	-170.2	0	0	0	113.9	D190 N191 N195 L196 I201 L204 L303 F328	D190-L193 WeakPolarHBondContact O-CB 3.4Å; D190-L193 PolarHBondContact O-N 2.83Å; N191-L193 PolarHBondContact O-N 2.79Å; N191-L193 VanDerWaalsContact O-N 3.17Å; L193-N195 PolarHBondContact O-N 2.76Å; L193-L196 PolarHBondContact O-N 2.94Å; L193-I201 HydrophobicContact CD1-CG2 4.41Å; L193-I201 HydrophobicContact CD2-CG1 4.38Å; L193-I201 HydrophobicContact CD2-CG2 4.4Å; L193-L204 HydrophobicContact CD2-CD1 3.88Å; L193-L303 HydrophobicContact CB-CD1 3.85Å; L193-L303 HydrophobicContact CD1-CD1 4.23Å; L193-F328 HydrophobicContact CD1-CD1 4.05Å; L193-F328 HydrophobicContact CD1-CE1 4.34Å
194	L	92.8	Very high	94.6	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.215	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	133.4	-176.7	-65.9	174.9	0	0	0	110.8	N191 L192 L196 C299 F300	N191-L194 HydrophobicContact CB-CD1 4.35Å; N191-L194 WeakPolarHBondContact O-CB 3.46Å; N191-L194 WeakPolarHBondContact O-CG 3.42Å; N191-L194 PolarHBondContact O-N 2.95Å; N191-L194 VanDerWaalsContact O-N 3.1Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 3.3Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L194-C299 HydrophobicContact CD2-CB 4.19Å; L194-F300 HydrophobicContact CD1-CZ 4.47Å; L194-F300 HydrophobicContact CD2-CD1 3.9Å; L194-F300 HydrophobicContact CD2-CE1 3.77Å; L194-F300 HydrophobicContact CD2-CE2 4.48Å; L194-F300 HydrophobicContact CD2-CG 4.31Å; L194-F300 HydrophobicContact CD2-CZ 4.08Å; L194-F300 HydrophobicContact CG-CE1 4.06Å; L194-F300 HydrophobicContact CG-CZ 4.17Å
195	N	91.1	Very high	94.6	Very high	134 Å²	134	44.6 Å²	44.6	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	18.6	179	-50.6	-54.5	0	0	0	114.8	L193	L193-N195 PolarHBondContact O-N 2.76Å
196	L	94.6	Very high	94.5	Very high	23 Å²	23	44 Å²	44	12%	0.12	23%	0.231	C	C	.	.			trans	-84.4	150.4	169.2	-60.8	-164	0	0	0	110.9	R175 L176 N177 L192 L193 L194 C200 I201 L204	R175-L196 WeakPolarHBondContact O-CD2 3.42Å; L176-L196 HydrophobicContact CD2-CD1 4.33Å; N177-L196 HydrophobicContact CB-CD2 4.34Å; L192-L196 WeakPolarHBondContact O-CD1 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L193-L196 PolarHBondContact O-N 2.94Å; L194-L196 PolarHBondContact O-N 3.3Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L196-C200 HydrophobicContact CB-CB 4.2Å; L196-C200 HydrophobicContact CD1-CB 4.22Å; L196-I201 HydrophobicContact CB-CD1 4.33Å; L196-I201 HydrophobicContact CB-CG1 3.91Å; L196-L204 HydrophobicContact CD1-CD1 3.44Å; L196-L204 VanDerWaalsContact CD1-CD1 3.44Å
197	D	92.8	Very high	94.6	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	21%	0.21	S	C	.	.			trans	-71.3	155.8	168.6	67	92.8	0	0	0	111.2	R129 K199 C200 I201	R129-D197 IonicContact CZ-OD1 3.45Å; R129-D197 VanDerWaalsContact CZ-OD1 3.23Å; R129-D197 IonicContact NH1-OD1 2.79Å; R129-D197 PolarHBondContact NH1-OD1 3.4Å; R129-D197 IonicContact NH1-OD2 3.74Å; R129-D197 IonicContact NH2-OD1 2.7Å; R129-D197 PolarHBondContact NH2-OD1 2.96Å; R129-D197 IonicContact NH2-OD2 3.56Å; D197-K199 PolarHBondContact O-N 3.46Å; D197-K199 WeakPolarHBondContact OD1-CB 3.5Å; D197-K199 PolarHBondContact OD1-N 3.09Å; D197-C200 WeakPolarHBondContact O-CB 3.48Å; D197-C200 PolarHBondContact O-N 3.19Å; D197-C200 PolarHBondContact OD1-N 3.22Å; D197-C200 VanDerWaalsContact OD1-N 3.09Å; D197-C200 PolarHBondContact OD2-SG 3.18Å; D197-I201 PolarHBondContact O-N 2.82Å; D197-I201 VanDerWaalsContact O-N 3.14Å
198	E	92.6	Very high	94.6	Very high	119 Å²	119	40.9 Å²	40.9	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-57.4	-35.7	-175.3	-67.4	-172.8	-169	0	0	113.8	I201 R202	E198-I201 PolarHBondContact O-N 2.86Å; E198-R202 VanDerWaalsContact O-CG 3.25Å; E198-R202 WeakPolarHBondContact O-CG 3.49Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE2-CZ 3.67Å; E198-R202 IonicContact OE2-NH2 2.93Å; E198-R202 PolarHBondContact OE2-NH2 2.64Å
199	K	94.8	Very high	94.8	Very high	70 Å²	70	38 Å²	38	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-66.4	-40.3	179.4	-75.1	172.6	166.7	-163.1	0	110.1	R129 E153 P158 D197 R202 S203	R129-K199 VanDerWaalsContact CZ-CB 3.42Å; E153-K199 PolarHBondContact O-NZ 2.96Å; E153-K199 VanDerWaalsContact O-NZ 3.09Å; P158-K199 HydrophobicContact CG-CD 3.71Å; P158-K199 HydrophobicContact CG-CG 4.19Å; D197-K199 PolarHBondContact O-N 3.46Å; D197-K199 WeakPolarHBondContact OD1-CB 3.5Å; D197-K199 PolarHBondContact OD1-N 3.09Å; K199-R202 PolarHBondContact O-N 2.79Å; K199-S203 PolarHBondContact O-N 3.07Å; K199-S203 PolarHBondContact O-OG 2.81Å; K199-S203 VanDerWaalsContact O-OG 3.06Å
200	C	96.4	Very high	95	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-43.5	174.6	-78.3	0	0	0	0	111.9	R129 A174 R175 L196 D197 R202 S203 L204	R129-C200 PolarHBondContact NH2-SG 3.47Å; A174-C200 HydrophobicContact CB-CB 4.46Å; R175-C200 PolarHBondContact N-SG 3.06Å; L196-C200 HydrophobicContact CB-CB 4.2Å; L196-C200 HydrophobicContact CD1-CB 4.22Å; D197-C200 WeakPolarHBondContact O-CB 3.48Å; D197-C200 PolarHBondContact O-N 3.19Å; D197-C200 PolarHBondContact OD1-N 3.22Å; D197-C200 VanDerWaalsContact OD1-N 3.09Å; D197-C200 PolarHBondContact OD2-SG 3.18Å; C200-R202 VanDerWaalsContact C-N 3.31Å; C200-R202 PolarHBondContact O-N 2.95Å; C200-S203 PolarHBondContact O-N 2.84Å; C200-L204 WeakPolarHBondContact O-CG 3.43Å; C200-L204 PolarHBondContact O-N 2.78Å
201	I	95.2	Very high	95.2	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-45.1	178.3	-66.6	160.6	0	0	0	110.6	L193 L196 D197 E198 L204 N205 L303 L306	L193-I201 HydrophobicContact CD1-CG2 4.41Å; L193-I201 HydrophobicContact CD2-CG1 4.38Å; L193-I201 HydrophobicContact CD2-CG2 4.4Å; L196-I201 HydrophobicContact CB-CD1 4.33Å; L196-I201 HydrophobicContact CB-CG1 3.91Å; D197-I201 PolarHBondContact O-N 2.82Å; D197-I201 VanDerWaalsContact O-N 3.14Å; E198-I201 PolarHBondContact O-N 2.86Å; I201-L204 PolarHBondContact O-N 2.83Å; I201-N205 PolarHBondContact O-N 2.85Å; I201-L303 HydrophobicContact CD1-CD2 3.57Å; I201-L306 HydrophobicContact CG2-CD1 4.41Å
202	R	94.6	Very high	95.4	Very high	65 Å²	65	31.5 Å²	31.5	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-42.4	177.5	-66.5	166	-167.4	173.6	5.1	112.1	F156 V157 E198 K199 C200 N205	F156-R202 HydrophobicContact CE1-CG 4.22Å; F156-R202 HydrophobicContact CZ-CG 4.38Å; F156-R202 VanDerWaalsContact CZ-CZ 3.47Å; F156-R202 VanDerWaalsContact CZ-NE 3.34Å; F156-R202 WeakPolarHBondContact O-CD 3.42Å; F156-R202 PolarHBondContact O-NH1 2.74Å; V157-R202 HydrophobicContact CG2-CB 3.93Å; E198-R202 VanDerWaalsContact O-CG 3.25Å; E198-R202 WeakPolarHBondContact O-CG 3.49Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE2-CZ 3.67Å; E198-R202 IonicContact OE2-NH2 2.93Å; E198-R202 PolarHBondContact OE2-NH2 2.64Å; K199-R202 PolarHBondContact O-N 2.79Å; C200-R202 VanDerWaalsContact C-N 3.31Å; C200-R202 PolarHBondContact O-N 2.95Å; R202-N205 PolarHBondContact O-N 3.17Å
203	S	96.9	Very high	95.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.8	-64.8	0	0	0	0	112.7	V157 F173 K199 C200 N205	V157-S203 WeakPolarHBondContact CG1-OG 3.38Å; F173-S203 WeakPolarHBondContact O-CB 3.38Å; F173-S203 PolarHBondContact O-OG 3.24Å; K199-S203 PolarHBondContact O-N 3.07Å; K199-S203 PolarHBondContact O-OG 2.81Å; K199-S203 VanDerWaalsContact O-OG 3.06Å; C200-S203 PolarHBondContact O-N 2.84Å; S203-N205 VanDerWaalsContact C-N 3.35Å
204	L	97.5	Very high	95.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-35.9	175.9	-73.1	163.2	0	0	0	112.5	L120 A174 L176 L187 L193 L196 C200 I201 G206 C207 R208	L120-L204 HydrophobicContact CD2-CD2 3.93Å; A174-L204 HydrophobicContact CB-CD1 4.27Å; A174-L204 HydrophobicContact CB-CD2 3.81Å; A174-L204 HydrophobicContact CB-CG 3.65Å; L176-L204 HydrophobicContact CD2-CD1 4.04Å; L176-L204 HydrophobicContact CD2-CD2 4.11Å; L187-L204 HydrophobicContact CD1-CD2 3.95Å; L187-L204 HydrophobicContact CD2-CD2 3.87Å; L187-L204 HydrophobicContact CG-CD2 4.46Å; L193-L204 HydrophobicContact CD2-CD1 3.88Å; L196-L204 HydrophobicContact CD1-CD1 3.44Å; L196-L204 VanDerWaalsContact CD1-CD1 3.44Å; C200-L204 WeakPolarHBondContact O-CG 3.43Å; C200-L204 PolarHBondContact O-N 2.78Å; I201-L204 PolarHBondContact O-N 2.83Å; L204-G206 PolarHBondContact O-N 2.86Å; L204-G206 VanDerWaalsContact O-N 3.13Å; L204-C207 PolarHBondContact O-N 2.8Å; L204-C207 VanDerWaalsContact O-N 3.14Å; L204-R208 VanDerWaalsContact O-CG 3.3Å; L204-R208 WeakPolarHBondContact O-CG 3.45Å; L204-R208 PolarHBondContact O-N 3.22Å; L204-R208 VanDerWaalsContact O-N 3.14Å
205	N	94.7	Very high	95.8	Very high	18 Å²	18	35.1 Å²	35.1	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-34.2	-169	-125.5	21.1	0	0	0	113.4	I201 R202 S203 R208 V209	I201-N205 PolarHBondContact O-N 2.85Å; R202-N205 PolarHBondContact O-N 3.17Å; S203-N205 VanDerWaalsContact C-N 3.35Å; N205-R208 PolarHBondContact O-N 3.04Å; N205-V209 WeakPolarHBondContact O-CB 3.39Å; N205-V209 VanDerWaalsContact O-CG2 3.28Å; N205-V209 WeakPolarHBondContact O-CG2 3.33Å; N205-V209 PolarHBondContact O-N 2.96Å
206	G	94.4	Very high	96.1	Very high	23 Å²	23	29.7 Å²	29.7	24%	0.237	14%	0.142	C	C	.	.	H	α-helix	trans	-57.2	-51.4	176.6	0	0	0	0	0	112.8	L204 T210	L204-G206 PolarHBondContact O-N 2.86Å; L204-G206 VanDerWaalsContact O-N 3.13Å; G206-T210 WeakPolarHBondContact O-CB 3.39Å; G206-T210 PolarHBondContact O-N 3.49Å; G206-T210 VanDerWaalsContact O-N 3.15Å; G206-T210 PolarHBondContact O-OG1 2.81Å
207	C	97.5	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-49.1	176	-64.2	0	0	0	0	111.4	F103 L120 L187 L204 V209 T210 D211	F103-C207 HydrophobicContact CB-CB 4.3Å; F103-C207 VanDerWaalsContact CD1-SG 3.6Å; L120-C207 HydrophobicContact CD2-CB 4.41Å; L120-C207 VanDerWaalsContact CD2-SG 3.59Å; L187-C207 HydrophobicContact CD1-CB 3.74Å; L204-C207 PolarHBondContact O-N 2.8Å; L204-C207 VanDerWaalsContact O-N 3.14Å; C207-V209 PolarHBondContact O-N 3.14Å; C207-T210 PolarHBondContact O-N 2.95Å; C207-T210 VanDerWaalsContact O-N 3.14Å; C207-D211 PolarHBondContact O-N 3.26Å
208	R	97.4	Very high	96.4	Very high	11 Å²	11	27.7 Å²	27.7	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-45.3	-174.6	-60.4	-179.6	79.3	-134.4	-5.7	112	L187 D189 D190 L204 N205 E212 A327 F328	L187-R208 HydrophobicContact CB-CG 3.89Å; L187-R208 WeakPolarHBondContact O-CD 3.44Å; L187-R208 VanDerWaalsContact O-CG 3.31Å; L187-R208 WeakPolarHBondContact O-CG 3.44Å; L187-R208 PolarHBondContact O-NE 3.11Å; D189-R208 PolarHBondContact O-NH2 3.37Å; D190-R208 IonicContact OD1-CZ 2.62Å; D190-R208 IonicContact OD1-NH1 2.89Å; D190-R208 IonicContact OD1-NH2 3.93Å; D190-R208 PolarHBondContact OD1-NH2 3.45Å; L204-R208 VanDerWaalsContact O-CG 3.3Å; L204-R208 WeakPolarHBondContact O-CG 3.45Å; L204-R208 PolarHBondContact O-N 3.22Å; L204-R208 VanDerWaalsContact O-N 3.14Å; N205-R208 PolarHBondContact O-N 3.04Å; R208-E212 WeakPolarHBondContact O-CB 3.41Å; R208-E212 PolarHBondContact O-N 3.06Å; R208-A327 HydrophobicContact CB-CB 3.95Å; R208-F328 PolarHBondContact NH1-O 3.17Å
209	V	97.5	Very high	96.6	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.067	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-43.4	175.4	168.7	0	0	0	0	111.2	N205 C207 E212 I213 V250 T325 A327	N205-V209 WeakPolarHBondContact O-CB 3.39Å; N205-V209 VanDerWaalsContact O-CG2 3.28Å; N205-V209 WeakPolarHBondContact O-CG2 3.33Å; N205-V209 PolarHBondContact O-N 2.96Å; C207-V209 PolarHBondContact O-N 3.14Å; V209-E212 PolarHBondContact O-N 2.74Å; V209-I213 HydrophobicContact CG1-CD1 3.96Å; V209-I213 VanDerWaalsContact O-CG1 3.29Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.3Å; V209-V250 HydrophobicContact CG1-CG2 3.69Å; V209-T325 HydrophobicContact CG1-CG2 4.33Å; V209-T325 HydrophobicContact CG2-CG2 4.2Å; V209-A327 HydrophobicContact CG2-CB 3.89Å
210	T	97.9	Very high	96.8	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-49	-177.6	-58.3	0	0	0	0	111.9	G104 R107 L108 G206 C207 E212 I213 L214	G104-T210 PolarHBondContact N-OG1 3.27Å; R107-T210 HydrophobicContact CB-CG2 3.8Å; R107-T210 HydrophobicContact CG-CG2 3.51Å; L108-T210 HydrophobicContact CD2-CG2 3.71Å; L108-T210 HydrophobicContact CG-CG2 3.74Å; G206-T210 WeakPolarHBondContact O-CB 3.39Å; G206-T210 PolarHBondContact O-N 3.49Å; G206-T210 VanDerWaalsContact O-N 3.15Å; G206-T210 PolarHBondContact O-OG1 2.81Å; C207-T210 PolarHBondContact O-N 2.95Å; C207-T210 VanDerWaalsContact O-N 3.14Å; T210-E212 VanDerWaalsContact C-N 3.31Å; T210-E212 PolarHBondContact O-N 3.35Å; T210-I213 PolarHBondContact O-N 3.33Å; T210-L214 PolarHBondContact O-N 3.46Å
211	D	97.5	Very high	96.8	Very high	34 Å²	34	33 Å²	33	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-36.7	178.6	-76.7	-25	0	0	0	111.5	R107 C207 L214 R215	R107-D211 IonicContact CZ-OD1 2.76Å; R107-D211 VanDerWaalsContact CZ-OD1 3.28Å; R107-D211 IonicContact NE-OD1 3.77Å; R107-D211 PolarHBondContact NE-OD1 2.84Å; R107-D211 IonicContact NH2-OD1 2.67Å; R107-D211 PolarHBondContact NH2-OD1 3.11Å; R107-D211 IonicContact NH2-OD2 3.09Å; C207-D211 PolarHBondContact O-N 3.26Å; D211-L214 PolarHBondContact O-N 3.29Å; D211-R215 WeakPolarHBondContact O-CB 3.35Å; D211-R215 PolarHBondContact O-N 3.39Å
212	E	96.7	Very high	97	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-37.7	177.8	-167.2	64.9	-171.9	0	0	112.1	R208 V209 T210 L214 R215 L216 K291 P326	R208-E212 WeakPolarHBondContact O-CB 3.41Å; R208-E212 PolarHBondContact O-N 3.06Å; V209-E212 PolarHBondContact O-N 2.74Å; T210-E212 VanDerWaalsContact C-N 3.31Å; T210-E212 PolarHBondContact O-N 3.35Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.21Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE2-CZ 3.22Å; E212-R215 IonicContact OE2-NH1 3.49Å; E212-R215 PolarHBondContact OE2-NH1 2.88Å; E212-L216 HydrophobicContact CG-CD1 3.94Å; E212-L216 WeakPolarHBondContact O-CB 3.13Å; E212-L216 WeakPolarHBondContact O-CD1 3.21Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 2.63Å; E212-L216 VanDerWaalsContact O-N 3.11Å; E212-K291 VanDerWaalsContact OE1-CD 3.28Å; E212-K291 WeakPolarHBondContact OE1-CD 3.37Å; E212-K291 WeakPolarHBondContact OE1-CE 3.35Å; E212-K291 IonicContact OE1-NZ 2.82Å; E212-K291 PolarHBondContact OE1-NZ 3.06Å; E212-P326 HydrophobicContact CB-CB 4.36Å; E212-P326 HydrophobicContact CB-CG 3.89Å; E212-P326 HydrophobicContact CG-CB 3.63Å; E212-P326 HydrophobicContact CG-CG 3.72Å
213	I	98.2	Very high	97.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-46.5	170.4	-69.8	165.7	0	0	0	110.4	L108 V209 T210 R215 L216 V217 F223 V250 A253 M254 A257 L290 P326	L108-I213 HydrophobicContact CD2-CB 4.48Å; L108-I213 HydrophobicContact CD2-CG2 4.14Å; V209-I213 HydrophobicContact CG1-CD1 3.96Å; V209-I213 VanDerWaalsContact O-CG1 3.29Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.3Å; T210-I213 PolarHBondContact O-N 3.33Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.45Å; I213-L216 PolarHBondContact O-N 3.24Å; I213-V217 WeakPolarHBondContact O-CG1 3.21Å; I213-V217 PolarHBondContact O-N 3.31Å; I213-F223 HydrophobicContact CG2-CE1 4.44Å; I213-F223 HydrophobicContact CG2-CE2 4.21Å; I213-F223 HydrophobicContact CG2-CZ 3.73Å; I213-V250 HydrophobicContact CD1-CG2 4.09Å; I213-A253 HydrophobicContact CD1-CB 4.28Å; I213-M254 HydrophobicContact CD1-CG 3.72Å; I213-M254 HydrophobicContact CG1-CG 4.07Å; I213-A257 HydrophobicContact CG2-CB 4.04Å; I213-L290 HydrophobicContact CG1-CD1 4.12Å; I213-P326 HydrophobicContact CG1-CG 4.11Å
214	L	97.8	Very high	97.3	Very high	12 Å²	12	35 Å²	35	6%	0.063	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-28.4	-178.9	-71.1	173.8	0	0	0	113.8	R107 L108 T210 D211 E212 V217 K220 F223	R107-L214 HydrophobicContact CG-CD1 4.33Å; L108-L214 HydrophobicContact CD2-CD2 4.03Å; L108-L214 HydrophobicContact CD2-CG 3.98Å; T210-L214 PolarHBondContact O-N 3.46Å; D211-L214 PolarHBondContact O-N 3.29Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.21Å; L214-V217 WeakPolarHBondContact O-CG2 3.31Å; L214-K220 VanDerWaalsContact O-CE 3.28Å; L214-K220 WeakPolarHBondContact O-CE 3.39Å; L214-F223 HydrophobicContact CD2-CE1 4.29Å
215	R	96.3	Very high	97.3	Very high	126 Å²	126	36.1 Å²	36.1	48%	0.475	18%	0.175	S	C	.	.	H	α-helix	trans	-74.2	-34.1	174.8	-174	-179.2	-68.9	157.2	-18.2	112	D188 D211 E212 I213 V217	D188-R215 VanDerWaalsContact CB-NH1 3.35Å; D188-R215 VanDerWaalsContact CB-NH2 3.32Å; D188-R215 VanDerWaalsContact CG-NH2 3.3Å; D188-R215 IonicContact OD2-CZ 3.76Å; D188-R215 IonicContact OD2-NH1 2.94Å; D188-R215 IonicContact OD2-NH2 2.76Å; D188-R215 PolarHBondContact OD2-NH2 2.98Å; D211-R215 WeakPolarHBondContact O-CB 3.35Å; D211-R215 PolarHBondContact O-N 3.39Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE2-CZ 3.22Å; E212-R215 IonicContact OE2-NH1 3.49Å; E212-R215 PolarHBondContact OE2-NH1 2.88Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.45Å; R215-V217 VanDerWaalsContact C-N 3.35Å
216	L	97	Very high	97.5	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.099	17%	0.17	C	C	.	.	S	Bend	trans	-85.8	-2	-175.4	-69.2	171.2	0	0	0	114.2	E212 I213 Q261 L290 K291 P326	E212-L216 HydrophobicContact CG-CD1 3.94Å; E212-L216 WeakPolarHBondContact O-CB 3.13Å; E212-L216 WeakPolarHBondContact O-CD1 3.21Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 2.63Å; E212-L216 VanDerWaalsContact O-N 3.11Å; I213-L216 PolarHBondContact O-N 3.24Å; L216-Q261 WeakPolarHBondContact O-CG 3.4Å; L216-Q261 PolarHBondContact O-NE2 2.99Å; L216-L290 HydrophobicContact CD1-CB 3.7Å; L216-L290 HydrophobicContact CD1-CD1 4.38Å; L216-K291 HydrophobicContact CD1-CB 4.14Å; L216-K291 HydrophobicContact CD1-CD 4.26Å; L216-K291 HydrophobicContact CD1-CG 4.12Å; L216-K291 HydrophobicContact CD2-CB 4.14Å; L216-P326 HydrophobicContact CD1-CB 3.81Å; L216-P326 HydrophobicContact CD1-CG 4.41Å
217	V	97.5	Very high	97.7	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	16%	0.159	C	C	.	.			trans	-99.4	131.9	176.7	-66.5	0	0	0	0	111.8	I213 L214 R215 K220 F223 A257	I213-V217 WeakPolarHBondContact O-CG1 3.21Å; I213-V217 PolarHBondContact O-N 3.31Å; L214-V217 WeakPolarHBondContact O-CG2 3.31Å; R215-V217 VanDerWaalsContact C-N 3.35Å; V217-K220 HydrophobicContact CG2-CG 4.01Å; V217-F223 HydrophobicContact CB-CB 4.27Å; V217-F223 HydrophobicContact CB-CD2 4.46Å; V217-F223 HydrophobicContact CB-CG 4.31Å; V217-F223 HydrophobicContact CG1-CB 4.31Å; V217-F223 HydrophobicContact CG1-CD2 3.61Å; V217-F223 HydrophobicContact CG1-CE2 4.06Å; V217-F223 HydrophobicContact CG1-CG 3.92Å; V217-F223 HydrophobicContact CG2-CB 4.32Å; V217-F223 HydrophobicContact CG2-CD1 4.42Å; V217-F223 HydrophobicContact CG2-CG 4.24Å; V217-A257 HydrophobicContact CG1-CB 3.53Å
218	P	96.6	Very high	97.7	Very high	32 Å²	32	35.9 Å²	35.9	21%	0.208	17%	0.166	C	C	.	.	S	Bend	trans	-66.5	-47.7	-177.8	21.1	-29.8	0	0	0	112.9	Y23 C260 P264	Y23-P218 HydrophobicContact CD1-CB 4.03Å; Y23-P218 HydrophobicContact CD2-CB 4.01Å; Y23-P218 HydrophobicContact CD2-CG 4.44Å; Y23-P218 HydrophobicContact CE1-CB 3.71Å; Y23-P218 HydrophobicContact CE2-CB 3.68Å; Y23-P218 HydrophobicContact CG-CB 4.18Å; P218-C260 HydrophobicContact CG-CB 4.19Å; P218-C260 WeakPolarHBondContact CG-O 3.39Å; P218-P264 HydrophobicContact CB-CB 3.78Å; P218-P264 HydrophobicContact CG-CB 3.74Å
219	N	97.2	Very high	97.8	Very high	59 Å²	59	35.4 Å²	35.4	32%	0.316	16%	0.164	S	C	.	.			trans	-123.4	113.1	178.2	-176.8	-40.6	0	0	0	109.8	E221 N222 F223	N219-E221 WeakPolarHBondContact OD1-CB 3.23Å; N219-E221 PolarHBondContact OD1-N 3.26Å; N219-N222 HydrophobicContact CB-CB 4.17Å; N219-N222 PolarHBondContact OD1-N 3.24Å; N219-F223 VanDerWaalsContact O-CB 3.28Å; N219-F223 WeakPolarHBondContact O-CB 3.11Å; N219-F223 PolarHBondContact O-N 2.95Å
220	K	97.7	Very high	97.8	Very high	97 Å²	97	34.9 Å²	34.9	42%	0.422	16%	0.16	S	C	.	.	H	α-helix	trans	-70.2	-32.4	-176.2	-67	178.5	-179.8	65.9	0	112.7	L214 V217 R224	L214-K220 VanDerWaalsContact O-CE 3.28Å; L214-K220 WeakPolarHBondContact O-CE 3.39Å; V217-K220 HydrophobicContact CG2-CG 4.01Å; K220-R224 WeakPolarHBondContact O-CB 3.42Å; K220-R224 WeakPolarHBondContact O-CD 3.37Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 3.34Å
221	E	97.7	Very high	97.8	Very high	144 Å²	144	35.3 Å²	35.3	67%	0.673	16%	0.162	S	C	*	.	H	α-helix	trans	-70.3	-49.1	179.3	-66.3	176.9	179.1	0	0	110.5	N219 F223 R224 L225	N219-E221 WeakPolarHBondContact OD1-CB 3.23Å; N219-E221 PolarHBondContact OD1-N 3.26Å; E221-F223 VanDerWaalsContact C-N 3.32Å; E221-F223 PolarHBondContact O-N 2.9Å; E221-R224 PolarHBondContact O-N 2.76Å; E221-R224 VanDerWaalsContact O-N 3.14Å; E221-L225 PolarHBondContact O-N 2.75Å
222	N	98.2	Very high	97.8	Very high	36 Å²	36	34.5 Å²	34.5	19%	0.193	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-43.7	176.3	-72.1	0.7	0	0	0	111.1	N219 R224 L225 T226 A266 P268 L271	N219-N222 HydrophobicContact CB-CB 4.17Å; N219-N222 PolarHBondContact OD1-N 3.24Å; N222-R224 VanDerWaalsContact C-N 3.35Å; N222-R224 PolarHBondContact O-N 3.32Å; N222-L225 PolarHBondContact O-N 3.13Å; N222-T226 WeakPolarHBondContact O-CB 3.5Å; N222-T226 PolarHBondContact O-N 3.46Å; N222-T226 PolarHBondContact O-OG1 3.38Å; N222-T226 VanDerWaalsContact O-OG1 3.05Å; N222-A266 PolarHBondContact ND2-O 3.15Å; N222-P268 HydrophobicContact CB-CG 4.18Å; N222-L271 HydrophobicContact CB-CD1 3.92Å
223	F	98.7	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-47.9	173.6	167	-101.1	0	0	0	112.3	L108 I213 L214 V217 N219 E221 L227 A253 V256 A257	L108-F223 HydrophobicContact CD2-CE1 4.16Å; L108-F223 HydrophobicContact CD2-CZ 4.38Å; I213-F223 HydrophobicContact CG2-CE1 4.44Å; I213-F223 HydrophobicContact CG2-CE2 4.21Å; I213-F223 HydrophobicContact CG2-CZ 3.73Å; L214-F223 HydrophobicContact CD2-CE1 4.29Å; V217-F223 HydrophobicContact CB-CB 4.27Å; V217-F223 HydrophobicContact CB-CD2 4.46Å; V217-F223 HydrophobicContact CB-CG 4.31Å; V217-F223 HydrophobicContact CG1-CB 4.31Å; V217-F223 HydrophobicContact CG1-CD2 3.61Å; V217-F223 HydrophobicContact CG1-CE2 4.06Å; V217-F223 HydrophobicContact CG1-CG 3.92Å; V217-F223 HydrophobicContact CG2-CB 4.32Å; V217-F223 HydrophobicContact CG2-CD1 4.42Å; V217-F223 HydrophobicContact CG2-CG 4.24Å; N219-F223 VanDerWaalsContact O-CB 3.28Å; N219-F223 WeakPolarHBondContact O-CB 3.11Å; N219-F223 PolarHBondContact O-N 2.95Å; E221-F223 VanDerWaalsContact C-N 3.32Å; E221-F223 PolarHBondContact O-N 2.9Å; F223-L227 HydrophobicContact CE1-CD2 3.98Å; F223-L227 HydrophobicContact CE2-CD2 4.26Å; F223-L227 HydrophobicContact CZ-CD2 3.6Å; F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 3.14Å; F223-A253 WeakPolarHBondContact CE2-O 3.46Å; F223-A253 HydrophobicContact CZ-CB 4.29Å; F223-V256 HydrophobicContact CD2-CB 4.39Å; F223-V256 HydrophobicContact CD2-CG1 3.72Å; F223-V256 HydrophobicContact CE2-CB 4.15Å; F223-V256 HydrophobicContact CE2-CG1 3.97Å; F223-A257 HydrophobicContact CD2-CB 4.36Å; F223-A257 HydrophobicContact CE2-CB 3.9Å
224	R	98.4	Very high	97.9	Very high	81 Å²	81	33.7 Å²	33.7	31%	0.306	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-45.8	-178.8	-79.5	167.4	179.3	159.3	-2.6	112.2	L108 V110 K220 E221 N222 L227 R228	L108-R224 VanDerWaalsContact O-CG 3.26Å; L108-R224 WeakPolarHBondContact O-CG 3.38Å; L108-R224 PolarHBondContact O-NE 3.24Å; V110-R224 HydrophobicContact CG1-CB 4Å; V110-R224 HydrophobicContact CG1-CG 3.96Å; K220-R224 WeakPolarHBondContact O-CB 3.42Å; K220-R224 WeakPolarHBondContact O-CD 3.37Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 3.34Å; E221-R224 PolarHBondContact O-N 2.76Å; E221-R224 VanDerWaalsContact O-N 3.14Å; N222-R224 VanDerWaalsContact C-N 3.35Å; N222-R224 PolarHBondContact O-N 3.32Å; R224-L227 PolarHBondContact O-N 3.14Å; R224-R228 WeakPolarHBondContact O-CG 3.37Å; R224-R228 PolarHBondContact O-N 2.73Å
225	L	98.2	Very high	97.9	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-48.1	179.6	-160.1	158.6	0	0	0	110.8	L45 D46 L49 E221 N222 L227 R228 A229 P268	L45-L225 HydrophobicContact CD2-CD2 3.72Å; L45-L225 HydrophobicContact CG-CD2 3.89Å; D46-L225 HydrophobicContact CB-CD1 3.85Å; L49-L225 HydrophobicContact CD1-CD2 3.76Å; L49-L225 HydrophobicContact CD1-CG 4.24Å; E221-L225 PolarHBondContact O-N 2.75Å; N222-L225 PolarHBondContact O-N 3.13Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.13Å; L225-R228 WeakPolarHBondContact O-CB 3.39Å; L225-R228 PolarHBondContact O-N 2.9Å; L225-A229 PolarHBondContact O-N 3.34Å; L225-P268 HydrophobicContact CB-CB 4.15Å; L225-P268 HydrophobicContact CB-CG 4Å; L225-P268 HydrophobicContact CD1-CB 4.42Å; L225-P268 HydrophobicContact CD1-CG 4.12Å; L225-P268 HydrophobicContact CD2-CB 3.52Å; L225-P268 HydrophobicContact CD2-CG 4.11Å; L225-P268 HydrophobicContact CG-CB 4.22Å; L225-P268 HydrophobicContact CG-CG 4.29Å
226	T	98.7	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-43.7	175.3	-60.6	0	0	0	0	111.4	N222 R228 A229 I230 V256 P268 L271 V272	N222-T226 WeakPolarHBondContact O-CB 3.5Å; N222-T226 PolarHBondContact O-N 3.46Å; N222-T226 PolarHBondContact O-OG1 3.38Å; N222-T226 VanDerWaalsContact O-OG1 3.05Å; T226-R228 PolarHBondContact O-N 3.04Å; T226-A229 WeakPolarHBondContact O-CB 3.39Å; T226-A229 PolarHBondContact O-N 3.37Å; T226-I230 HydrophobicContact CG2-CG1 4.34Å; T226-I230 WeakPolarHBondContact O-CG1 3.38Å; T226-I230 PolarHBondContact O-N 3.39Å; T226-V256 HydrophobicContact CG2-CG1 3.61Å; T226-V256 HydrophobicContact CG2-CG2 4.31Å; T226-P268 WeakPolarHBondContact OG1-CA 3.45Å; T226-L271 HydrophobicContact CG2-CB 3.93Å; T226-L271 WeakPolarHBondContact OG1-CB 3.27Å; T226-V272 HydrophobicContact CG2-CG2 3.89Å
227	L	98.7	Very high	97.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-37.3	179.1	-179.6	57.1	0	0	0	112.4	L108 V110 F223 R224 L225 I230 K231 W252 A253 V256	L108-L227 HydrophobicContact CD1-CD2 4.26Å; V110-L227 HydrophobicContact CB-CD2 4.37Å; V110-L227 HydrophobicContact CB-CG 4.49Å; V110-L227 HydrophobicContact CG1-CB 4.16Å; V110-L227 HydrophobicContact CG1-CD2 3.98Å; V110-L227 HydrophobicContact CG1-CG 4.16Å; V110-L227 HydrophobicContact CG2-CD2 3.76Å; V110-L227 HydrophobicContact CG2-CG 4.24Å; F223-L227 HydrophobicContact CE1-CD2 3.98Å; F223-L227 HydrophobicContact CE2-CD2 4.26Å; F223-L227 HydrophobicContact CZ-CD2 3.6Å; F223-L227 WeakPolarHBondContact O-CB 3.48Å; F223-L227 PolarHBondContact O-N 3.14Å; R224-L227 PolarHBondContact O-N 3.14Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.13Å; L227-I230 PolarHBondContact O-N 3.09Å; L227-K231 HydrophobicContact CD1-CD 4.09Å; L227-K231 HydrophobicContact CD1-CG 3.94Å; L227-K231 HydrophobicContact CG-CD 4.01Å; L227-K231 HydrophobicContact CG-CG 4.32Å; L227-K231 WeakPolarHBondContact O-CB 3.44Å; L227-K231 VanDerWaalsContact O-CG 3.23Å; L227-K231 WeakPolarHBondContact O-CG 3.3Å; L227-K231 PolarHBondContact O-N 3.39Å; L227-W252 HydrophobicContact CD1-CB 4.18Å; L227-A253 HydrophobicContact CD1-CB 4.27Å; L227-A253 HydrophobicContact CD2-CB 3.72Å; L227-V256 HydrophobicContact CB-CG1 4.24Å; L227-V256 HydrophobicContact CB-CG2 4.46Å; L227-V256 HydrophobicContact CD1-CB 4.44Å; L227-V256 HydrophobicContact CD1-CG2 4.03Å
228	R	98.2	Very high	97.9	Very high	35 Å²	35	35.9 Å²	35.9	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-48.2	171	-79.1	-175.2	173.3	82.1	1.6	111.4	L49 V54 Y55 G109 V110 R224 L225 T226 K231 L232	L49-R228 HydrophobicContact CD1-CB 4.24Å; V54-R228 PolarHBondContact O-NE 2.79Å; Y55-R228 VanDerWaalsContact CE1-CD 3.49Å; G109-R228 PolarHBondContact O-NH1 3Å; G109-R228 PolarHBondContact O-NH2 3.41Å; V110-R228 HydrophobicContact CB-CG 4.28Å; V110-R228 HydrophobicContact CG1-CG 4.3Å; R224-R228 WeakPolarHBondContact O-CG 3.37Å; R224-R228 PolarHBondContact O-N 2.73Å; L225-R228 WeakPolarHBondContact O-CB 3.39Å; L225-R228 PolarHBondContact O-N 2.9Å; T226-R228 PolarHBondContact O-N 3.04Å; R228-K231 PolarHBondContact O-N 3.11Å; R228-L232 WeakPolarHBondContact O-CB 3.32Å; R228-L232 PolarHBondContact O-N 2.99Å
229	A	98.5	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-52.1	176.5	0	0	0	0	0	111.8	L45 L49 L225 T226 K231 L232 W233 V272 F370	L45-A229 HydrophobicContact CD1-CB 4.16Å; L45-A229 HydrophobicContact CD2-CB 4.28Å; L49-A229 HydrophobicContact CD1-CB 4.24Å; L49-A229 HydrophobicContact CD2-CB 4.38Å; L225-A229 PolarHBondContact O-N 3.34Å; T226-A229 WeakPolarHBondContact O-CB 3.39Å; T226-A229 PolarHBondContact O-N 3.37Å; A229-K231 PolarHBondContact O-N 3.27Å; A229-L232 PolarHBondContact O-N 3.47Å; A229-W233 WeakPolarHBondContact O-CB 3.47Å; A229-W233 PolarHBondContact O-N 2.71Å; A229-V272 HydrophobicContact CB-CG2 3.9Å; A229-F370 HydrophobicContact CB-CE1 4.49Å; A229-F370 HydrophobicContact CB-CZ 4.1Å; A229-F370 WeakPolarHBondContact O-CE1 3.43Å
230	I	98.7	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-40.3	-179.2	-64	-54.1	0	0	0	111.9	T226 L227 W233 A234 W252 V256 V272 F275 F276	T226-I230 HydrophobicContact CG2-CG1 4.34Å; T226-I230 WeakPolarHBondContact O-CG1 3.38Å; T226-I230 PolarHBondContact O-N 3.39Å; L227-I230 PolarHBondContact O-N 3.09Å; I230-W233 HydrophobicContact CG2-CE3 4.33Å; I230-W233 PolarHBondContact O-N 2.6Å; I230-A234 VanDerWaalsContact O-CB 3.31Å; I230-A234 WeakPolarHBondContact O-CB 3.16Å; I230-A234 PolarHBondContact O-N 3.05Å; I230-W252 HydrophobicContact CG2-CD2 4.26Å; I230-W252 HydrophobicContact CG2-CE3 3.67Å; I230-W252 HydrophobicContact CG2-CZ3 4.25Å; I230-V256 HydrophobicContact CB-CG2 4.09Å; I230-V256 HydrophobicContact CG1-CG2 3.86Å; I230-V256 HydrophobicContact CG2-CG2 4.31Å; I230-V272 HydrophobicContact CD1-CG1 4.23Å; I230-F275 HydrophobicContact CD1-CB 4.47Å; I230-F275 HydrophobicContact CD1-CD1 3.54Å; I230-F275 HydrophobicContact CD1-CD2 4.48Å; I230-F275 HydrophobicContact CD1-CE1 3.85Å; I230-F275 HydrophobicContact CD1-CG 3.92Å; I230-F275 HydrophobicContact CD1-CZ 4.42Å; I230-F275 HydrophobicContact CG1-CD1 4.2Å; I230-F275 HydrophobicContact CG1-CD2 4.29Å; I230-F275 HydrophobicContact CG1-CE1 4.33Å; I230-F275 HydrophobicContact CG1-CE2 4.37Å; I230-F275 HydrophobicContact CG1-CG 4.22Å; I230-F275 HydrophobicContact CG1-CZ 4.42Å; I230-F275 HydrophobicContact CG2-CE1 4.03Å; I230-F275 HydrophobicContact CG2-CE2 4.11Å; I230-F275 HydrophobicContact CG2-CZ 3.71Å; I230-F276 HydrophobicContact CD1-CE1 4.24Å; I230-F276 HydrophobicContact CD1-CE2 4.07Å; I230-F276 HydrophobicContact CD1-CZ 3.68Å
231	K	97.9	Very high	97.9	Very high	19 Å²	19	31.1 Å²	31.1	8%	0.083	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-46	175.4	-74.4	175.5	66.1	-177.7	0	111.7	V110 L227 R228 A229 A234 K235 Y240	V110-K231 HydrophobicContact CG2-CD 4.29Å; V110-K231 PolarHBondContact O-NZ 3.29Å; L227-K231 HydrophobicContact CD1-CD 4.09Å; L227-K231 HydrophobicContact CD1-CG 3.94Å; L227-K231 HydrophobicContact CG-CD 4.01Å; L227-K231 HydrophobicContact CG-CG 4.32Å; L227-K231 WeakPolarHBondContact O-CB 3.44Å; L227-K231 VanDerWaalsContact O-CG 3.23Å; L227-K231 WeakPolarHBondContact O-CG 3.3Å; L227-K231 PolarHBondContact O-N 3.39Å; R228-K231 PolarHBondContact O-N 3.11Å; A229-K231 PolarHBondContact O-N 3.27Å; K231-A234 PolarHBondContact O-N 3.19Å; K231-K235 WeakPolarHBondContact O-CG 3.31Å; K231-K235 PolarHBondContact O-N 3.08Å; K231-Y240 HydrophobicContact CB-CE2 4.44Å; K231-Y240 HydrophobicContact CG-CE2 4.06Å
232	L	97.6	Very high	97.8	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.089	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-48.4	177.7	177.2	62.6	0	0	0	110.9	Y48 L49 Q52 V54 R228 A229 A234 K235 K236 F370	Y48-L232 HydrophobicContact CE1-CD2 4.37Å; L49-L232 HydrophobicContact CD2-CD2 3.73Å; Q52-L232 HydrophobicContact CB-CD2 4.02Å; Q52-L232 HydrophobicContact CG-CD2 3.96Å; V54-L232 HydrophobicContact CG1-CD1 4.3Å; V54-L232 HydrophobicContact CG1-CD2 4.48Å; R228-L232 WeakPolarHBondContact O-CB 3.32Å; R228-L232 PolarHBondContact O-N 2.99Å; A229-L232 PolarHBondContact O-N 3.47Å; L232-A234 PolarHBondContact O-N 3.07Å; L232-K235 PolarHBondContact O-N 3.3Å; L232-K236 HydrophobicContact CD1-CG 4.12Å; L232-K236 HydrophobicContact CG-CG 4.38Å; L232-K236 VanDerWaalsContact O-CG 3.31Å; L232-K236 WeakPolarHBondContact O-CG 3.11Å; L232-K236 PolarHBondContact O-N 3.42Å; L232-F370 HydrophobicContact CB-CD1 4.23Å; L232-F370 HydrophobicContact CB-CE1 4.15Å; L232-F370 HydrophobicContact CD2-CD1 3.71Å; L232-F370 HydrophobicContact CD2-CE1 3.94Å; L232-F370 HydrophobicContact CD2-CG 4.05Å; L232-F370 HydrophobicContact CD2-CZ 4.44Å; L232-F370 HydrophobicContact CG-CD1 3.73Å; L232-F370 HydrophobicContact CG-CE1 4.1Å; L232-F370 HydrophobicContact CG-CG 4.42Å
233	W	98.5	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56	-50.6	176	164.6	79.8	0	0	0	111.6	A229 I230 K235 K236 K237 I239 W252 F276 A348 M349 A352 F370	A229-W233 WeakPolarHBondContact O-CB 3.47Å; A229-W233 PolarHBondContact O-N 2.71Å; I230-W233 HydrophobicContact CG2-CE3 4.33Å; I230-W233 PolarHBondContact O-N 2.6Å; W233-K235 VanDerWaalsContact C-N 3.29Å; W233-K235 PolarHBondContact O-N 2.98Å; W233-K236 PolarHBondContact O-N 3.4Å; W233-K237 WeakPolarHBondContact O-CB 3.34Å; W233-K237 WeakPolarHBondContact O-CG 3.28Å; W233-K237 PolarHBondContact O-N 3.44Å; W233-I239 HydrophobicContact CH2-CD1 3.53Å; W233-I239 HydrophobicContact CZ2-CD1 4.03Å; W233-I239 HydrophobicContact CZ3-CD1 3.93Å; W233-W252 HydrophobicContact CH2-CH2 4.32Å; W233-W252 AromaticContact CZ3-CH2 3.68Å; W233-W252 HydrophobicContact CZ3-CH2 3.68Å; W233-W252 AromaticContact CZ3-CZ3 3.77Å; W233-W252 HydrophobicContact CZ3-CZ3 3.77Å; W233-F276 AromaticContact CD2-CE1 3.79Å; W233-F276 HydrophobicContact CD2-CE1 3.79Å; W233-F276 AromaticContact CD2-CZ 3.7Å; W233-F276 HydrophobicContact CD2-CZ 3.7Å; W233-F276 AromaticContact CE2-CE1 3.62Å; W233-F276 AromaticContact CE2-CZ 3.79Å; W233-F276 AromaticContact CE3-CE1 3.83Å; W233-F276 HydrophobicContact CE3-CE1 3.83Å; W233-F276 HydrophobicContact CE3-CZ 4Å; W233-F276 HydrophobicContact CG-CZ 4.07Å; W233-F276 HydrophobicContact CH2-CD1 4.43Å; W233-F276 AromaticContact CH2-CE1 3.61Å; W233-F276 HydrophobicContact CH2-CE1 3.61Å; W233-F276 HydrophobicContact CH2-CZ 4.49Å; W233-F276 HydrophobicContact CZ2-CD1 4.41Å; W233-F276 AromaticContact CZ2-CE1 3.55Å; W233-F276 HydrophobicContact CZ2-CE1 3.55Å; W233-F276 HydrophobicContact CZ2-CZ 4.21Å; W233-F276 AromaticContact CZ3-CE1 3.74Å; W233-F276 HydrophobicContact CZ3-CE1 3.74Å; W233-F276 HydrophobicContact CZ3-CZ 4.39Å; W233-A348 HydrophobicContact CZ2-CB 4.04Å; W233-M349 HydrophobicContact CH2-CG 3.82Å; W233-M349 HydrophobicContact CZ2-CG 4.48Å; W233-A352 HydrophobicContact CZ2-CB 3.89Å; W233-F370 HydrophobicContact CB-CD1 4.05Å; W233-F370 HydrophobicContact CB-CE1 3.93Å
234	A	98.4	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-37.7	-179.7	0	0	0	0	0	112.2	I230 K231 L232 R238 I239 Y240 W252	I230-A234 VanDerWaalsContact O-CB 3.31Å; I230-A234 WeakPolarHBondContact O-CB 3.16Å; I230-A234 PolarHBondContact O-N 3.05Å; K231-A234 PolarHBondContact O-N 3.19Å; L232-A234 PolarHBondContact O-N 3.07Å; A234-R238 PolarHBondContact O-N 2.96Å; A234-I239 HydrophobicContact CB-CG1 4.14Å; A234-I239 WeakPolarHBondContact O-CG1 3.38Å; A234-I239 PolarHBondContact O-N 3.21Å; A234-Y240 HydrophobicContact CB-CD2 4.08Å; A234-W252 HydrophobicContact CB-CD2 4.41Å; A234-W252 HydrophobicContact CB-CH2 4.23Å; A234-W252 HydrophobicContact CB-CZ2 3.63Å
235	K	96.9	Very high	97.3	Very high	100 Å²	100	23 Å²	23	44%	0.435	11%	0.112	S	C	.	.	H	α-helix	trans	-65.9	-48.7	173.1	-74.2	-179	176.6	-171.6	0	111.8	K231 L232 W233 K237 R238 Y240	K231-K235 WeakPolarHBondContact O-CG 3.31Å; K231-K235 PolarHBondContact O-N 3.08Å; L232-K235 PolarHBondContact O-N 3.3Å; W233-K235 VanDerWaalsContact C-N 3.29Å; W233-K235 PolarHBondContact O-N 2.98Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 3.24Å; K235-R238 WeakPolarHBondContact O-CA 3.2Å; K235-R238 PolarHBondContact O-N 3.49Å; K235-Y240 HydrophobicContact CG-CD1 4.31Å; K235-Y240 HydrophobicContact CG-CD2 4.39Å; K235-Y240 HydrophobicContact CG-CG 3.99Å
236	K	96.7	Very high	97.3	Very high	68 Å²	68	21.8 Å²	21.8	30%	0.296	11%	0.106	S	C	.	.	H	α-helix	trans	-61.6	-36.3	178.6	-67.2	-73.9	-173.4	176.5	0	112.2	L232 W233 R238 F370 S373	L232-K236 HydrophobicContact CD1-CG 4.12Å; L232-K236 HydrophobicContact CG-CG 4.38Å; L232-K236 VanDerWaalsContact O-CG 3.31Å; L232-K236 WeakPolarHBondContact O-CG 3.11Å; L232-K236 PolarHBondContact O-N 3.42Å; W233-K236 PolarHBondContact O-N 3.4Å; K236-R238 VanDerWaalsContact C-N 3.29Å; K236-F370 WeakPolarHBondContact CD-O 3.29Å; K236-F370 HydrophobicContact CG-CB 4.47Å; K236-F370 WeakPolarHBondContact CG-O 3.28Å; K236-S373 PolarHBondContact O-N 3.4Å
237	K	97.5	Very high	97.2	Very high	18 Å²	18	21.8 Å²	21.8	8%	0.078	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.6	174.5	-63.1	-60.2	-179.7	176.2	0	113.9	W233 K235 I239 E351	W233-K237 WeakPolarHBondContact O-CB 3.34Å; W233-K237 WeakPolarHBondContact O-CG 3.28Å; W233-K237 PolarHBondContact O-N 3.44Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 3.24Å; K237-I239 HydrophobicContact CB-CD1 4.35Å; K237-I239 HydrophobicContact CB-CG1 4.15Å; K237-E351 IonicContact NZ-OE1 2.66Å; K237-E351 PolarHBondContact NZ-OE1 2.66Å
238	R	97.3	Very high	97.1	Very high	22 Å²	22	22.2 Å²	22.2	8%	0.083	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	43.3	177.6	-68.5	176	161.2	158.7	3.9	113.7	A234 K235 K236 I425 P426 E427	A234-R238 PolarHBondContact O-N 2.96Å; K235-R238 WeakPolarHBondContact O-CA 3.2Å; K235-R238 PolarHBondContact O-N 3.49Å; K236-R238 VanDerWaalsContact C-N 3.29Å; R238-I425 VanDerWaalsContact CZ-CD1 3.43Å; R238-I425 VanDerWaalsContact NH1-CD1 3.31Å; R238-P426 HydrophobicContact CB-CG 4.14Å; R238-P426 WeakPolarHBondContact O-CD 3.3Å; R238-P426 VanDerWaalsContact O-CG 3.27Å; R238-P426 WeakPolarHBondContact O-CG 3.45Å; R238-E427 IonicContact CZ-OE1 3.78Å; R238-E427 IonicContact NE-OE1 3.98Å; R238-E427 PolarHBondContact NE-OE1 3.49Å; R238-E427 IonicContact NH2-OE1 3.38Å; R238-E427 PolarHBondContact NH2-OE1 2.92Å
239	I	97.9	Very high	97.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.116	C	C	.	.			trans	-124.9	30.4	177.5	57.9	171.9	0	0	0	111.3	W233 A234 K237 Y246 W252 I344 A348	W233-I239 HydrophobicContact CH2-CD1 3.53Å; W233-I239 HydrophobicContact CZ2-CD1 4.03Å; W233-I239 HydrophobicContact CZ3-CD1 3.93Å; A234-I239 HydrophobicContact CB-CG1 4.14Å; A234-I239 WeakPolarHBondContact O-CG1 3.38Å; A234-I239 PolarHBondContact O-N 3.21Å; K237-I239 HydrophobicContact CB-CD1 4.35Å; K237-I239 HydrophobicContact CB-CG1 4.15Å; I239-Y246 HydrophobicContact CB-CD1 3.9Å; I239-Y246 HydrophobicContact CB-CE1 4.29Å; I239-Y246 HydrophobicContact CB-CG 4.33Å; I239-Y246 HydrophobicContact CG2-CD1 3.98Å; I239-Y246 HydrophobicContact CG2-CE1 3.86Å; I239-Y246 VanDerWaalsContact O-CB 3.3Å; I239-Y246 WeakPolarHBondContact O-CB 3.38Å; I239-W252 HydrophobicContact CD1-CH2 4.19Å; I239-W252 HydrophobicContact CD1-CZ2 4.41Å; I239-W252 HydrophobicContact CG1-CZ2 4.38Å; I239-W252 WeakPolarHBondContact O-CZ2 3.41Å; I239-I344 HydrophobicContact CG2-CG2 3.78Å; I239-A348 HydrophobicContact CD1-CB 3.88Å
240	Y	97.5	Very high	97	Very high	59 Å²	59	24.4 Å²	24.4	23%	0.231	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-118.5	97	-179.1	-171.7	-78.6	0	0	0	109.9	K231 A234 K235 G249 W252	K231-Y240 HydrophobicContact CB-CE2 4.44Å; K231-Y240 HydrophobicContact CG-CE2 4.06Å; A234-Y240 HydrophobicContact CB-CD2 4.08Å; K235-Y240 HydrophobicContact CG-CD1 4.31Å; K235-Y240 HydrophobicContact CG-CD2 4.39Å; K235-Y240 HydrophobicContact CG-CG 3.99Å; Y240-G249 WeakPolarHBondContact OH-CA 3.43Å; Y240-W252 AromaticContact CD2-CD1 3.46Å; Y240-W252 VanDerWaalsContact CD2-CD1 3.46Å; Y240-W252 AromaticContact CD2-NE1 3.37Å; Y240-W252 AromaticContact CE2-CD1 3.44Å; Y240-W252 VanDerWaalsContact CE2-CD1 3.44Å; Y240-W252 HydrophobicContact CE2-CG 4.44Å; Y240-W252 AromaticContact CE2-NE1 3.87Å
241	S	96.3	Very high	97	Very high	28 Å²	28	24.5 Å²	24.5	20%	0.196	13%	0.133	C	C	.	.			trans	172	120.7	163.3	178.7	0	0	0	0	110.4	A243 F244 Y246 L247	S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 3.26Å; S241-A243 PolarHBondContact OG-N 2.93Å; S241-F244 PolarHBondContact O-N 2.85Å; S241-F244 WeakPolarHBondContact OG-CD2 3.38Å; S241-Y246 CarbonylContact O-C 3.59Å; S241-Y246 WeakPolarHBondContact O-CA 3.25Å; S241-Y246 WeakPolarHBondContact O-CB 3.47Å; S241-Y246 PolarHBondContact O-N 3.41Å; S241-L247 PolarHBondContact N-O 3.33Å; S241-L247 VanDerWaalsContact N-O 3.15Å
242	N	95	Very high	97.1	Very high	44 Å²	44	23.6 Å²	23.6	24%	0.235	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31	175.6	-176.3	61.9	0	0	0	113.2	F244 G245 Y246 S333 N336	N242-F244 VanDerWaalsContact C-N 3.26Å; N242-F244 PolarHBondContact O-N 2.92Å; N242-G245 PolarHBondContact O-N 3.5Å; N242-Y246 VanDerWaalsContact CA-O 3.3Å; N242-Y246 WeakPolarHBondContact CA-O 3.26Å; N242-S333 PolarHBondContact OD1-O 3.42Å; N242-N336 PolarHBondContact ND2-ND2 3.2Å; N242-N336 WeakPolarHBondContact O-CB 3.38Å; N242-N336 PolarHBondContact O-ND2 3.35Å
243	A	92.9	Very high	97.1	Very high	38 Å²	38	22.8 Å²	22.8	31%	0.314	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.5	179.9	0	0	0	0	0	112	S241 G245	S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 3.26Å; S241-A243 PolarHBondContact OG-N 2.93Å; A243-G245 VanDerWaalsContact C-N 3.32Å
244	F	95.8	Very high	97.1	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.035	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.5	179.8	-72.3	-105.2	0	0	0	113.4	S241 N242 Y246 E403 L406 L424 I425 P426 W445	S241-F244 PolarHBondContact O-N 2.85Å; S241-F244 WeakPolarHBondContact OG-CD2 3.38Å; N242-F244 VanDerWaalsContact C-N 3.26Å; N242-F244 PolarHBondContact O-N 2.92Å; F244-Y246 HydrophobicContact CB-CD2 4.08Å; F244-Y246 HydrophobicContact CB-CE2 4.41Å; F244-E403 HydrophobicContact CE2-CB 4.25Å; F244-E403 HydrophobicContact CE2-CG 4.09Å; F244-E403 HydrophobicContact CZ-CB 4.25Å; F244-E403 HydrophobicContact CZ-CG 3.66Å; F244-L406 HydrophobicContact CD1-CD1 4.06Å; F244-L406 HydrophobicContact CE1-CD1 3.48Å; F244-L406 VanDerWaalsContact CE1-CD1 3.48Å; F244-L406 HydrophobicContact CZ-CD1 4.02Å; F244-L424 HydrophobicContact CB-CD2 4.44Å; F244-L424 HydrophobicContact CD1-CD1 4.25Å; F244-L424 HydrophobicContact CD1-CD2 3.53Å; F244-L424 HydrophobicContact CD1-CG 3.75Å; F244-L424 HydrophobicContact CE1-CD1 4.39Å; F244-L424 HydrophobicContact CE1-CD2 4.27Å; F244-L424 HydrophobicContact CE1-CG 4.37Å; F244-L424 HydrophobicContact CG-CD2 4.4Å; F244-I425 WeakPolarHBondContact CD1-O 3.47Å; F244-I425 WeakPolarHBondContact CE1-O 3.03Å; F244-P426 HydrophobicContact CB-CB 4.06Å; F244-P426 VanDerWaalsContact CD1-CA 3.5Å; F244-P426 HydrophobicContact CD1-CB 4.27Å; F244-P426 HydrophobicContact CD2-CB 4.32Å; F244-P426 HydrophobicContact CG-CB 3.98Å; F244-W445 AromaticContact CE1-CD1 3.98Å
245	G	95.8	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	13.1	179.6	0	0	0	0	0	114.8	N242 A243 N336 V337 T341	N242-G245 PolarHBondContact O-N 3.5Å; A243-G245 VanDerWaalsContact C-N 3.32Å; G245-N336 VanDerWaalsContact CA-O 3.26Å; G245-N336 WeakPolarHBondContact CA-O 3.46Å; G245-V337 WeakPolarHBondContact O-CA 3.13Å; G245-T341 WeakPolarHBondContact O-CB 3.46Å; G245-T341 PolarHBondContact O-OG1 2.9Å
246	Y	97.7	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-98.6	-170.7	168	-59.5	-74	0	0	0	111	I239 S241 N242 F244 T341 I344 I345 H423 L424 P426	I239-Y246 HydrophobicContact CB-CD1 3.9Å; I239-Y246 HydrophobicContact CB-CE1 4.29Å; I239-Y246 HydrophobicContact CB-CG 4.33Å; I239-Y246 HydrophobicContact CG2-CD1 3.98Å; I239-Y246 HydrophobicContact CG2-CE1 3.86Å; I239-Y246 VanDerWaalsContact O-CB 3.3Å; I239-Y246 WeakPolarHBondContact O-CB 3.38Å; S241-Y246 CarbonylContact O-C 3.59Å; S241-Y246 WeakPolarHBondContact O-CA 3.25Å; S241-Y246 WeakPolarHBondContact O-CB 3.47Å; S241-Y246 PolarHBondContact O-N 3.41Å; N242-Y246 VanDerWaalsContact CA-O 3.3Å; N242-Y246 WeakPolarHBondContact CA-O 3.26Å; F244-Y246 HydrophobicContact CB-CD2 4.08Å; F244-Y246 HydrophobicContact CB-CE2 4.41Å; Y246-T341 HydrophobicContact CD1-CG2 4.06Å; Y246-T341 HydrophobicContact CE1-CG2 3.68Å; Y246-T341 HydrophobicContact CE2-CG2 4.31Å; Y246-I344 HydrophobicContact CE1-CB 4.38Å; Y246-I344 HydrophobicContact CE1-CG2 4.11Å; Y246-I345 HydrophobicContact CD1-CD1 4.12Å; Y246-I345 HydrophobicContact CD1-CG1 4.02Å; Y246-H423 PolarHBondContact OH-CD2 3.03Å; Y246-L424 VanDerWaalsContact CE2-O 3.26Å; Y246-L424 WeakPolarHBondContact CE2-O 3.5Å; Y246-L424 PolarHBondContact OH-O 3.05Å; Y246-P426 HydrophobicContact CD2-CB 4.24Å; Y246-P426 HydrophobicContact CE2-CB 4.37Å; Y246-P426 HydrophobicContact CE2-CG 4.45Å
247	L	98.3	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-81.7	135.8	178.6	-82.7	62.3	0	0	0	110.5	S241 W252 L255 I323 T334 V337 I345	S241-L247 PolarHBondContact N-O 3.33Å; S241-L247 VanDerWaalsContact N-O 3.15Å; L247-W252 HydrophobicContact CB-CD2 3.95Å; L247-W252 HydrophobicContact CB-CG 4.35Å; L247-W252 HydrophobicContact CB-CH2 4.27Å; L247-W252 HydrophobicContact CB-CZ2 3.56Å; L247-W252 HydrophobicContact CD2-CD2 4.04Å; L247-W252 HydrophobicContact CD2-CE3 3.9Å; L247-W252 HydrophobicContact CD2-CH2 3.86Å; L247-W252 HydrophobicContact CD2-CZ2 4.01Å; L247-W252 HydrophobicContact CD2-CZ3 3.8Å; L247-W252 HydrophobicContact CG-CZ2 4.31Å; L247-W252 PolarHBondContact O-NE1 3.48Å; L247-L255 HydrophobicContact CD2-CD1 3.44Å; L247-L255 VanDerWaalsContact CD2-CD1 3.44Å; L247-I323 HydrophobicContact CD2-CD1 3.84Å; L247-I323 HydrophobicContact CG-CD1 4.27Å; L247-T334 HydrophobicContact CD1-CG2 4.05Å; L247-T334 HydrophobicContact CG-CG2 3.75Å; L247-V337 HydrophobicContact CD1-CG2 4.22Å; L247-I345 HydrophobicContact CD1-CD1 3.44Å; L247-I345 VanDerWaalsContact CD1-CD1 3.44Å; L247-I345 HydrophobicContact CD1-CG1 4.43Å
248	G	96.8	Very high	97.4	Very high	10 Å²	10	14.4 Å²	14.4	10%	0.103	9%	0.088	C	C	.	.			trans	-85.5	172.2	169.4	0	0	0	0	0	112.7	V250 S251 W252	G248-V250 VanDerWaalsContact C-N 3.33Å; G248-V250 PolarHBondContact O-N 2.97Å; G248-S251 WeakPolarHBondContact O-CB 3.26Å; G248-S251 PolarHBondContact O-N 2.94Å; G248-W252 PolarHBondContact O-N 2.86Å; G248-W252 VanDerWaalsContact O-N 3.11Å
249	G	96.6	Very high	97.5	Very high	25 Å²	25	13.4 Å²	13.4	26%	0.258	8%	0.084	S	C	.	.	H	α-helix	trans	-55.5	-42	-176.2	0	0	0	0	0	114.3	Y240 S251 W252 A253	Y240-G249 WeakPolarHBondContact OH-CA 3.43Å; G249-S251 VanDerWaalsContact C-N 3.34Å; G249-S251 PolarHBondContact O-N 3.45Å; G249-W252 PolarHBondContact O-N 3.13Å; G249-A253 WeakPolarHBondContact O-CB 3.49Å; G249-A253 PolarHBondContact O-N 2.97Å
250	V	97.7	Very high	97.5	Very high	56 Å²	56	13.5 Å²	13.5	34%	0.339	9%	0.085	S	C	.	.	H	α-helix	trans	-65.2	-36.9	177.2	71.3	0	0	0	0	112.2	V209 I213 G248 A253 M254	V209-V250 HydrophobicContact CG1-CG2 3.69Å; I213-V250 HydrophobicContact CD1-CG2 4.09Å; G248-V250 VanDerWaalsContact C-N 3.33Å; G248-V250 PolarHBondContact O-N 2.97Å; V250-A253 PolarHBondContact O-N 3.42Å; V250-M254 HydrophobicContact CG2-CE 4.24Å; V250-M254 WeakPolarHBondContact O-CG 3.33Å; V250-M254 PolarHBondContact O-N 2.86Å
251	S	98.6	Very high	97.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-47	176.8	-49.2	0	0	0	0	110.7	G248 G249 A253 M254 L255 S333 T334	G248-S251 WeakPolarHBondContact O-CB 3.26Å; G248-S251 PolarHBondContact O-N 2.94Å; G249-S251 VanDerWaalsContact C-N 3.34Å; G249-S251 PolarHBondContact O-N 3.45Å; S251-A253 VanDerWaalsContact C-N 3.34Å; S251-A253 PolarHBondContact O-N 2.7Å; S251-M254 PolarHBondContact O-N 2.79Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.92Å; S251-L255 VanDerWaalsContact O-N 3.07Å; S251-S333 WeakPolarHBondContact OG-CB 3.07Å; S251-S333 PolarHBondContact OG-O 3.46Å; S251-S333 PolarHBondContact OG-OG 2.97Å; S251-T334 WeakPolarHBondContact OG-CG2 3.41Å
252	W	98.8	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-42.5	174.8	-65.5	114.8	0	0	0	112.2	L227 I230 W233 A234 I239 Y240 L247 G248 G249 M254 L255 V256 F275 M349	L227-W252 HydrophobicContact CD1-CB 4.18Å; I230-W252 HydrophobicContact CG2-CD2 4.26Å; I230-W252 HydrophobicContact CG2-CE3 3.67Å; I230-W252 HydrophobicContact CG2-CZ3 4.25Å; W233-W252 HydrophobicContact CH2-CH2 4.32Å; W233-W252 AromaticContact CZ3-CH2 3.68Å; W233-W252 HydrophobicContact CZ3-CH2 3.68Å; W233-W252 AromaticContact CZ3-CZ3 3.77Å; W233-W252 HydrophobicContact CZ3-CZ3 3.77Å; A234-W252 HydrophobicContact CB-CD2 4.41Å; A234-W252 HydrophobicContact CB-CH2 4.23Å; A234-W252 HydrophobicContact CB-CZ2 3.63Å; I239-W252 HydrophobicContact CD1-CH2 4.19Å; I239-W252 HydrophobicContact CD1-CZ2 4.41Å; I239-W252 HydrophobicContact CG1-CZ2 4.38Å; I239-W252 WeakPolarHBondContact O-CZ2 3.41Å; Y240-W252 AromaticContact CD2-CD1 3.46Å; Y240-W252 VanDerWaalsContact CD2-CD1 3.46Å; Y240-W252 AromaticContact CD2-NE1 3.37Å; Y240-W252 AromaticContact CE2-CD1 3.44Å; Y240-W252 VanDerWaalsContact CE2-CD1 3.44Å; Y240-W252 HydrophobicContact CE2-CG 4.44Å; Y240-W252 AromaticContact CE2-NE1 3.87Å; L247-W252 HydrophobicContact CB-CD2 3.95Å; L247-W252 HydrophobicContact CB-CG 4.35Å; L247-W252 HydrophobicContact CB-CH2 4.27Å; L247-W252 HydrophobicContact CB-CZ2 3.56Å; L247-W252 HydrophobicContact CD2-CD2 4.04Å; L247-W252 HydrophobicContact CD2-CE3 3.9Å; L247-W252 HydrophobicContact CD2-CH2 3.86Å; L247-W252 HydrophobicContact CD2-CZ2 4.01Å; L247-W252 HydrophobicContact CD2-CZ3 3.8Å; L247-W252 HydrophobicContact CG-CZ2 4.31Å; L247-W252 PolarHBondContact O-NE1 3.48Å; G248-W252 PolarHBondContact O-N 2.86Å; G248-W252 VanDerWaalsContact O-N 3.11Å; G249-W252 PolarHBondContact O-N 3.13Å; W252-M254 VanDerWaalsContact C-N 3.35Å; W252-M254 PolarHBondContact O-N 2.85Å; W252-L255 HydrophobicContact CE3-CD1 4.16Å; W252-L255 HydrophobicContact CZ3-CD1 4.31Å; W252-L255 PolarHBondContact O-N 2.87Å; W252-V256 WeakPolarHBondContact O-CG2 3.22Å; W252-V256 PolarHBondContact O-N 2.92Å; W252-F275 AromaticContact CE3-CZ 3.88Å; W252-F275 HydrophobicContact CE3-CZ 3.88Å; W252-F275 HydrophobicContact CZ3-CE1 4.38Å; W252-F275 AromaticContact CZ3-CZ 3.85Å; W252-F275 HydrophobicContact CZ3-CZ 3.85Å; W252-M349 HydrophobicContact CH2-CE 4.13Å; W252-M349 HydrophobicContact CZ3-CE 3.78Å
253	A	98.7	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.2	-43.9	176.4	0	0	0	0	0	112	L108 I213 F223 L227 G249 V250 S251 V256 A257	L108-A253 HydrophobicContact CD1-CB 3.92Å; I213-A253 HydrophobicContact CD1-CB 4.28Å; F223-A253 WeakPolarHBondContact CE2-O 3.46Å; F223-A253 HydrophobicContact CZ-CB 4.29Å; L227-A253 HydrophobicContact CD1-CB 4.27Å; L227-A253 HydrophobicContact CD2-CB 3.72Å; G249-A253 WeakPolarHBondContact O-CB 3.49Å; G249-A253 PolarHBondContact O-N 2.97Å; V250-A253 PolarHBondContact O-N 3.42Å; S251-A253 VanDerWaalsContact C-N 3.34Å; S251-A253 PolarHBondContact O-N 2.7Å; A253-V256 PolarHBondContact O-N 2.61Å; A253-A257 VanDerWaalsContact O-CB 3.3Å; A253-A257 WeakPolarHBondContact O-CB 3.22Å; A253-A257 PolarHBondContact O-N 3.28Å
254	M	98.8	Very high	97.9	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-67.2	-38.1	177.8	-69.7	-173.9	-73.5	0	0	113	I213 V250 S251 W252 A257 R258 L290 I323 I324 T325 S333	I213-M254 HydrophobicContact CD1-CG 3.72Å; I213-M254 HydrophobicContact CG1-CG 4.07Å; V250-M254 HydrophobicContact CG2-CE 4.24Å; V250-M254 WeakPolarHBondContact O-CG 3.33Å; V250-M254 PolarHBondContact O-N 2.86Å; S251-M254 PolarHBondContact O-N 2.79Å; W252-M254 VanDerWaalsContact C-N 3.35Å; W252-M254 PolarHBondContact O-N 2.85Å; M254-A257 PolarHBondContact O-N 3.46Å; M254-R258 WeakPolarHBondContact O-CB 3.41Å; M254-R258 PolarHBondContact O-N 2.9Å; M254-L290 HydrophobicContact CB-CD1 4.19Å; M254-L290 HydrophobicContact CG-CD1 3.99Å; M254-L290 WeakPolarHBondContact O-CD2 3.3Å; M254-I323 HydrophobicContact CB-CG2 3.85Å; M254-I323 HydrophobicContact CE-CB 4.5Å; M254-I323 HydrophobicContact CE-CG2 3.65Å; M254-I323 HydrophobicContact SD-CG2 4.26Å; M254-I324 VanDerWaalsContact SD-O 3.36Å; M254-T325 HydrophobicContact CE-CG2 4.13Å; M254-T325 VanDerWaalsContact SD-CA 3.57Å; M254-T325 HydrophobicContact SD-CG2 4.34Å; M254-S333 WeakPolarHBondContact CE-OG 3.38Å
255	L	98.9	Very high	97.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-65.1	-41.8	175.4	-66.4	179.4	0	0	0	112	L247 S251 W252 R258 T259 F275 F279 V288 I323	L247-L255 HydrophobicContact CD2-CD1 3.44Å; L247-L255 VanDerWaalsContact CD2-CD1 3.44Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.92Å; S251-L255 VanDerWaalsContact O-N 3.07Å; W252-L255 HydrophobicContact CE3-CD1 4.16Å; W252-L255 HydrophobicContact CZ3-CD1 4.31Å; W252-L255 PolarHBondContact O-N 2.87Å; L255-R258 PolarHBondContact O-N 3.02Å; L255-T259 PolarHBondContact O-N 2.93Å; L255-T259 PolarHBondContact O-OG1 3.01Å; L255-F275 HydrophobicContact CB-CD2 4.39Å; L255-F275 HydrophobicContact CB-CE2 3.49Å; L255-F275 VanDerWaalsContact CB-CE2 3.49Å; L255-F275 HydrophobicContact CB-CZ 4.15Å; L255-F275 HydrophobicContact CD1-CE2 4.39Å; L255-F275 HydrophobicContact CD1-CZ 4.23Å; L255-F279 HydrophobicContact CB-CD2 4.18Å; L255-F279 HydrophobicContact CB-CE1 4.44Å; L255-F279 HydrophobicContact CB-CE2 3.55Å; L255-F279 HydrophobicContact CB-CZ 3.7Å; L255-F279 HydrophobicContact CD2-CD1 3.73Å; L255-F279 HydrophobicContact CD2-CD2 4.36Å; L255-F279 HydrophobicContact CD2-CE1 3.28Å; L255-F279 HydrophobicContact CD2-CE2 3.97Å; L255-F279 HydrophobicContact CD2-CG 4.26Å; L255-F279 HydrophobicContact CD2-CZ 3.41Å; L255-F279 VanDerWaalsContact CD2-CZ 3.41Å; L255-F279 HydrophobicContact CG-CE1 4.37Å; L255-F279 HydrophobicContact CG-CE2 4.24Å; L255-F279 HydrophobicContact CG-CZ 4.1Å; L255-F279 VanDerWaalsContact O-CE2 3.28Å; L255-F279 WeakPolarHBondContact O-CE2 3.21Å; L255-F279 WeakPolarHBondContact O-CZ 3.36Å; L255-V288 HydrophobicContact CD2-CB 4.36Å; L255-V288 HydrophobicContact CD2-CG1 4.18Å; L255-V288 HydrophobicContact CD2-CG2 3.94Å; L255-I323 HydrophobicContact CD1-CD1 3.79Å; L255-I323 HydrophobicContact CD2-CD1 3.65Å; L255-I323 HydrophobicContact CD2-CG1 4.05Å; L255-I323 HydrophobicContact CD2-CG2 4.39Å; L255-I323 HydrophobicContact CG-CD1 3.75Å
256	V	98.9	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.8	-45.1	175	175.4	0	0	0	0	110.6	F223 T226 L227 I230 W252 A253 R258 T259 C260 F275	F223-V256 HydrophobicContact CD2-CB 4.39Å; F223-V256 HydrophobicContact CD2-CG1 3.72Å; F223-V256 HydrophobicContact CE2-CB 4.15Å; F223-V256 HydrophobicContact CE2-CG1 3.97Å; T226-V256 HydrophobicContact CG2-CG1 3.61Å; T226-V256 HydrophobicContact CG2-CG2 4.31Å; L227-V256 HydrophobicContact CB-CG1 4.24Å; L227-V256 HydrophobicContact CB-CG2 4.46Å; L227-V256 HydrophobicContact CD1-CB 4.44Å; L227-V256 HydrophobicContact CD1-CG2 4.03Å; I230-V256 HydrophobicContact CB-CG2 4.09Å; I230-V256 HydrophobicContact CG1-CG2 3.86Å; I230-V256 HydrophobicContact CG2-CG2 4.31Å; W252-V256 WeakPolarHBondContact O-CG2 3.22Å; W252-V256 PolarHBondContact O-N 2.92Å; A253-V256 PolarHBondContact O-N 2.61Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.94Å; V256-T259 WeakPolarHBondContact O-CA 3.48Å; V256-T259 VanDerWaalsContact O-CB 3.31Å; V256-T259 WeakPolarHBondContact O-CB 3.43Å; V256-T259 PolarHBondContact O-N 2.86Å; V256-C260 PolarHBondContact O-N 3.4Å; V256-C260 PolarHBondContact O-SG 3.22Å; V256-C260 VanDerWaalsContact O-SG 3.32Å; V256-F275 HydrophobicContact CG2-CD2 3.9Å; V256-F275 HydrophobicContact CG2-CE2 3.84Å
257	A	98.7	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-42.3	176.6	0	0	0	0	0	111.5	I213 V217 F223 A253 M254 T259 C260 Q261 L290	I213-A257 HydrophobicContact CG2-CB 4.04Å; V217-A257 HydrophobicContact CG1-CB 3.53Å; F223-A257 HydrophobicContact CD2-CB 4.36Å; F223-A257 HydrophobicContact CE2-CB 3.9Å; A253-A257 VanDerWaalsContact O-CB 3.3Å; A253-A257 WeakPolarHBondContact O-CB 3.22Å; A253-A257 PolarHBondContact O-N 3.28Å; M254-A257 PolarHBondContact O-N 3.46Å; A257-T259 VanDerWaalsContact C-N 3.29Å; A257-T259 PolarHBondContact O-N 3.11Å; A257-C260 WeakPolarHBondContact O-CB 3.33Å; A257-C260 PolarHBondContact O-N 2.72Å; A257-Q261 WeakPolarHBondContact O-CG 3.46Å; A257-Q261 PolarHBondContact O-N 2.86Å; A257-L290 HydrophobicContact CB-CD1 3.96Å; A257-L290 HydrophobicContact CB-CD2 3.93Å
258	R	98.6	Very high	98	Very high	9 Å²	9	11.2 Å²	11.2	3%	0.034	7%	0.071	C	C	.	.	H	α-helix	trans	-62.1	-38.1	175.4	-175.8	57	179.1	156.3	6	112.1	T26 M254 L255 V256 Q261 L262 F279 V288 L290	T26-R258 PolarHBondContact OG1-NH2 3.11Å; M254-R258 WeakPolarHBondContact O-CB 3.41Å; M254-R258 PolarHBondContact O-N 2.9Å; L255-R258 PolarHBondContact O-N 3.02Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.94Å; R258-Q261 VanDerWaalsContact CD-OE1 3.3Å; R258-Q261 PolarHBondContact O-N 3Å; R258-L262 HydrophobicContact CG-CD1 4.49Å; R258-L262 WeakPolarHBondContact O-CG 3.41Å; R258-L262 PolarHBondContact O-N 2.79Å; R258-F279 HydrophobicContact CB-CZ 4.33Å; R258-F279 HydrophobicContact CG-CZ 4.49Å; R258-V288 HydrophobicContact CB-CG1 4.13Å; R258-V288 HydrophobicContact CG-CG1 3.99Å; R258-L290 HydrophobicContact CB-CD2 3.66Å; R258-L290 VanDerWaalsContact N-CD2 3.35Å
259	T	98.6	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.7	-44.7	175.5	-56.1	0	0	0	0	110.8	L255 V256 A257 Q261 L262 Y263 L271 K274 F275 I278 F279	L255-T259 PolarHBondContact O-N 2.93Å; L255-T259 PolarHBondContact O-OG1 3.01Å; V256-T259 WeakPolarHBondContact O-CA 3.48Å; V256-T259 VanDerWaalsContact O-CB 3.31Å; V256-T259 WeakPolarHBondContact O-CB 3.43Å; V256-T259 PolarHBondContact O-N 2.86Å; A257-T259 VanDerWaalsContact C-N 3.29Å; A257-T259 PolarHBondContact O-N 3.11Å; T259-Q261 VanDerWaalsContact C-N 3.34Å; T259-Q261 PolarHBondContact O-N 3.3Å; T259-L262 PolarHBondContact O-N 3.16Å; T259-L262 VanDerWaalsContact O-N 3.15Å; T259-Y263 HydrophobicContact CG2-CD2 4.35Å; T259-Y263 PolarHBondContact O-N 3.39Å; T259-Y263 VanDerWaalsContact O-N 3.1Å; T259-L271 HydrophobicContact CG2-CD2 4.07Å; T259-K274 HydrophobicContact CG2-CB 4.08Å; T259-F275 HydrophobicContact CG2-CB 4.15Å; T259-I278 HydrophobicContact CG2-CD1 3.96Å; T259-F279 WeakPolarHBondContact OG1-CE2 3.09Å
260	C	98.5	Very high	98.2	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.02	6%	0.057	C	C	.	.	H	α-helix	trans	-61.9	-38.9	175.7	-61.1	0	0	0	0	112.4	P218 V256 A257 L262 Y263 P264	P218-C260 HydrophobicContact CG-CB 4.19Å; P218-C260 WeakPolarHBondContact CG-O 3.39Å; V256-C260 PolarHBondContact O-N 3.4Å; V256-C260 PolarHBondContact O-SG 3.22Å; V256-C260 VanDerWaalsContact O-SG 3.32Å; A257-C260 WeakPolarHBondContact O-CB 3.33Å; A257-C260 PolarHBondContact O-N 2.72Å; C260-L262 VanDerWaalsContact C-N 3.25Å; C260-L262 PolarHBondContact O-N 3.36Å; C260-Y263 CarbonylContact O-C 3.58Å; C260-Y263 PolarHBondContact O-N 2.59Å; C260-P264 VanDerWaalsContact O-CA 3.3Å; C260-P264 WeakPolarHBondContact O-CA 3.46Å
261	Q	98	Very high	98.2	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-60.3	-34.7	174.7	-71.6	178.3	-23.4	0	0	113	Y23 L216 A257 R258 T259 L290	Y23-Q261 PolarHBondContact O-NE2 2.57Å; L216-Q261 WeakPolarHBondContact O-CG 3.4Å; L216-Q261 PolarHBondContact O-NE2 2.99Å; A257-Q261 WeakPolarHBondContact O-CG 3.46Å; A257-Q261 PolarHBondContact O-N 2.86Å; R258-Q261 VanDerWaalsContact CD-OE1 3.3Å; R258-Q261 PolarHBondContact O-N 3Å; T259-Q261 VanDerWaalsContact C-N 3.34Å; T259-Q261 PolarHBondContact O-N 3.3Å; Q261-L290 PolarHBondContact NE2-O 2.83Å; Q261-L290 PolarHBondContact OE1-O 3.45Å
262	L	97.7	Very high	98.2	Very high	10 Å²	10	7.5 Å²	7.5	5%	0.052	4%	0.041	C	C	.	.	H	α-helix	trans	-82.6	-20.2	-179.5	-64.9	170.5	0	0	0	112.8	T26 I29 S30 R258 T259 C260 I278	T26-L262 WeakPolarHBondContact OG1-CD2 3.09Å; I29-L262 HydrophobicContact CD1-CB 4.16Å; I29-L262 HydrophobicContact CD1-CD1 4.13Å; I29-L262 HydrophobicContact CD1-CD2 4.13Å; I29-L262 HydrophobicContact CD1-CG 4.37Å; I29-L262 HydrophobicContact CG1-CB 4.31Å; I29-L262 HydrophobicContact CG1-CD2 4.08Å; I29-L262 PolarHBondContact N-O 2.8Å; S30-L262 PolarHBondContact N-O 3.36Å; R258-L262 HydrophobicContact CG-CD1 4.49Å; R258-L262 WeakPolarHBondContact O-CG 3.41Å; R258-L262 PolarHBondContact O-N 2.79Å; T259-L262 PolarHBondContact O-N 3.16Å; T259-L262 VanDerWaalsContact O-N 3.15Å; C260-L262 VanDerWaalsContact C-N 3.25Å; C260-L262 PolarHBondContact O-N 3.36Å; L262-I278 HydrophobicContact CD1-CD1 3.7Å; L262-I278 HydrophobicContact CD1-CG1 4.38Å
263	Y	97.5	Very high	98.2	Very high	18 Å²	18	7.8 Å²	7.8	7%	0.071	4%	0.044	C	C	.	.	S	Bend	trans	-137.7	67.3	-178.2	-62	-76.6	0	0	0	110.6	I29 T259 C260 N265 A266 K274 I278	I29-Y263 HydrophobicContact CB-CE1 3.98Å; I29-Y263 HydrophobicContact CD1-CE2 4.45Å; I29-Y263 HydrophobicContact CG2-CE1 3.93Å; T259-Y263 HydrophobicContact CG2-CD2 4.35Å; T259-Y263 PolarHBondContact O-N 3.39Å; T259-Y263 VanDerWaalsContact O-N 3.1Å; C260-Y263 CarbonylContact O-C 3.58Å; C260-Y263 PolarHBondContact O-N 2.59Å; Y263-N265 VanDerWaalsContact C-N 3.3Å; Y263-N265 PolarHBondContact O-N 3.4Å; Y263-A266 PolarHBondContact O-N 2.85Å; Y263-K274 HydrophobicContact CD1-CG 4.36Å; Y263-K274 HydrophobicContact CD2-CB 3.77Å; Y263-K274 HydrophobicContact CD2-CG 3.88Å; Y263-K274 HydrophobicContact CE1-CD 4.04Å; Y263-K274 HydrophobicContact CE1-CG 4.21Å; Y263-K274 HydrophobicContact CE2-CB 3.59Å; Y263-K274 HydrophobicContact CE2-CD 3.9Å; Y263-K274 HydrophobicContact CE2-CG 3.68Å; Y263-K274 HydrophobicContact CG-CG 4.22Å; Y263-I278 HydrophobicContact CD2-CD1 4.34Å; Y263-I278 HydrophobicContact CE2-CD1 3.81Å; Y263-I278 HydrophobicContact CE2-CG1 4.48Å
264	P	96.8	Very high	98.2	Very high	10 Å²	10	9.9 Å²	9.9	7%	0.065	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.4	-167.7	22.7	-35	0	0	0	115	Y23 P28 S30 V31 P218 C260	Y23-P264 HydrophobicContact CD2-CB 4.23Å; Y23-P264 HydrophobicContact CE2-CB 3.95Å; P28-P264 HydrophobicContact CB-CG 4.13Å; P28-P264 HydrophobicContact CG-CG 4.09Å; S30-P264 WeakPolarHBondContact O-CD 3.48Å; V31-P264 HydrophobicContact CG1-CG 4.1Å; P218-P264 HydrophobicContact CB-CB 3.78Å; P218-P264 HydrophobicContact CG-CB 3.74Å; C260-P264 VanDerWaalsContact O-CA 3.3Å; C260-P264 WeakPolarHBondContact O-CA 3.46Å
265	N	96.1	Very high	98.2	Very high	62 Å²	62	9.9 Å²	9.9	33%	0.332	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.8	-177	-59.2	-13.3	0	0	0	112.8	V31 E33 Y263	V31-N265 PolarHBondContact O-ND2 2.87Å; E33-N265 PolarHBondContact OE1-ND2 3.24Å; E33-N265 VanDerWaalsContact OE1-ND2 3.12Å; Y263-N265 VanDerWaalsContact C-N 3.3Å; Y263-N265 PolarHBondContact O-N 3.4Å
266	A	97.5	Very high	98.2	Very high	12 Å²	12	9.8 Å²	9.8	10%	0.099	5%	0.053	C	C	.	.			trans	-72.3	144.6	-178.3	0	0	0	0	0	112.1	N222 Y263 V270 L271	N222-A266 PolarHBondContact ND2-O 3.15Å; Y263-A266 PolarHBondContact O-N 2.85Å; A266-V270 HydrophobicContact CB-CB 4.16Å; A266-V270 HydrophobicContact CB-CG1 3.94Å; A266-L271 HydrophobicContact CB-CD2 3.93Å; A266-L271 HydrophobicContact CB-CG 3.93Å; A266-L271 WeakPolarHBondContact O-CD1 3.44Å
267	T	98.1	Very high	98.2	Very high	11 Å²	11	11.5 Å²	11.5	7%	0.067	6%	0.062	C	C	.	.			trans	-74.5	162.2	174.1	65.4	0	0	0	0	111.6	A34 E38 V39 S42 S269 V270 L271	A34-T267 HydrophobicContact CB-CG2 3.23Å; E38-T267 HydrophobicContact CB-CG2 4.35Å; E38-T267 PolarHBondContact O-OG1 3.14Å; V39-T267 HydrophobicContact CG2-CG2 4.27Å; S42-T267 WeakPolarHBondContact OG-CB 3.42Å; S42-T267 PolarHBondContact OG-OG1 3Å; S42-T267 VanDerWaalsContact OG-OG1 3.1Å; T267-S269 VanDerWaalsContact C-N 3.31Å; T267-S269 PolarHBondContact O-N 3.42Å; T267-S269 PolarHBondContact OG1-OG 2.85Å; T267-S269 VanDerWaalsContact OG1-OG 3.11Å; T267-V270 PolarHBondContact O-N 2.89Å; T267-V270 VanDerWaalsContact O-N 3.15Å; T267-L271 WeakPolarHBondContact O-CB 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 3.08Å
268	P	98.5	Very high	98.2	Very high	6 Å²	6	12.4 Å²	12.4	4%	0.039	7%	0.067	C	C	.	.	H	α-helix	trans	-55.6	-38.2	179.9	-30.6	37.8	0	0	0	115.4	L45 N222 L225 T226 V270 L271 V272	L45-P268 HydrophobicContact CD2-CB 4.38Å; N222-P268 HydrophobicContact CB-CG 4.18Å; L225-P268 HydrophobicContact CB-CB 4.15Å; L225-P268 HydrophobicContact CB-CG 4Å; L225-P268 HydrophobicContact CD1-CB 4.42Å; L225-P268 HydrophobicContact CD1-CG 4.12Å; L225-P268 HydrophobicContact CD2-CB 3.52Å; L225-P268 HydrophobicContact CD2-CG 4.11Å; L225-P268 HydrophobicContact CG-CB 4.22Å; L225-P268 HydrophobicContact CG-CG 4.29Å; T226-P268 WeakPolarHBondContact OG1-CA 3.45Å; P268-V270 PolarHBondContact O-N 2.73Å; P268-L271 PolarHBondContact O-N 2.97Å; P268-V272 VanDerWaalsContact O-CG2 3.31Å; P268-V272 WeakPolarHBondContact O-CG2 3.08Å; P268-V272 PolarHBondContact O-N 3.46Å
269	S	98.1	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177	57	0	0	0	0	111.8	E38 S42 T267 V272 G273	E38-S269 PolarHBondContact O-OG 3.02Å; S42-S269 WeakPolarHBondContact OG-CB 3.37Å; S42-S269 PolarHBondContact OG-N 3.44Å; S42-S269 VanDerWaalsContact OG-N 3.1Å; S42-S269 PolarHBondContact OG-OG 2.82Å; T267-S269 VanDerWaalsContact C-N 3.31Å; T267-S269 PolarHBondContact O-N 3.42Å; T267-S269 PolarHBondContact OG1-OG 2.85Å; T267-S269 VanDerWaalsContact OG1-OG 3.11Å; S269-V272 PolarHBondContact O-N 3.37Å; S269-G273 PolarHBondContact O-N 3.35Å
270	V	98.1	Very high	98.1	Very high	11 Å²	11	13.6 Å²	13.6	7%	0.067	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-46.2	177.6	178.4	0	0	0	0	110.1	E38 A266 T267 P268 V272 G273 K274	E38-V270 HydrophobicContact CB-CG2 3.8Å; E38-V270 VanDerWaalsContact CD-CG2 3.43Å; E38-V270 HydrophobicContact CG-CG2 3.41Å; E38-V270 VanDerWaalsContact CG-CG2 3.41Å; E38-V270 VanDerWaalsContact OE1-CG2 3.24Å; E38-V270 WeakPolarHBondContact OE1-CG2 3.3Å; A266-V270 HydrophobicContact CB-CB 4.16Å; A266-V270 HydrophobicContact CB-CG1 3.94Å; T267-V270 PolarHBondContact O-N 2.89Å; T267-V270 VanDerWaalsContact O-N 3.15Å; P268-V270 PolarHBondContact O-N 2.73Å; V270-V272 VanDerWaalsContact C-N 3.29Å; V270-V272 PolarHBondContact O-N 2.92Å; V270-G273 PolarHBondContact O-N 2.73Å; V270-G273 VanDerWaalsContact O-N 3.1Å; V270-K274 HydrophobicContact CG1-CG 3.93Å; V270-K274 WeakPolarHBondContact O-CB 3.47Å; V270-K274 WeakPolarHBondContact O-CG 3.22Å; V270-K274 PolarHBondContact O-N 3.04Å
271	L	98.7	Very high	98.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-57.3	-40.8	178	-73	170.5	0	0	0	112	N222 T226 T259 A266 T267 P268 K274 F275	N222-L271 HydrophobicContact CB-CD1 3.92Å; T226-L271 HydrophobicContact CG2-CB 3.93Å; T226-L271 WeakPolarHBondContact OG1-CB 3.27Å; T259-L271 HydrophobicContact CG2-CD2 4.07Å; A266-L271 HydrophobicContact CB-CD2 3.93Å; A266-L271 HydrophobicContact CB-CG 3.93Å; A266-L271 WeakPolarHBondContact O-CD1 3.44Å; T267-L271 WeakPolarHBondContact O-CB 3.46Å; T267-L271 WeakPolarHBondContact O-CG 3.35Å; T267-L271 PolarHBondContact O-N 3.08Å; P268-L271 PolarHBondContact O-N 2.97Å; L271-K274 PolarHBondContact O-N 3.48Å; L271-F275 VanDerWaalsContact O-CB 3.23Å; L271-F275 WeakPolarHBondContact O-CB 3.37Å; L271-F275 PolarHBondContact O-N 3.28Å
272	V	98.8	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-45.8	174.6	171.1	0	0	0	0	111.2	L45 T226 A229 I230 P268 S269 V270 F275 F276 T356 W366 L369	L45-V272 HydrophobicContact CD2-CG2 4.02Å; T226-V272 HydrophobicContact CG2-CG2 3.89Å; A229-V272 HydrophobicContact CB-CG2 3.9Å; I230-V272 HydrophobicContact CD1-CG1 4.23Å; P268-V272 VanDerWaalsContact O-CG2 3.31Å; P268-V272 WeakPolarHBondContact O-CG2 3.08Å; P268-V272 PolarHBondContact O-N 3.46Å; S269-V272 PolarHBondContact O-N 3.37Å; V270-V272 VanDerWaalsContact C-N 3.29Å; V270-V272 PolarHBondContact O-N 2.92Å; V272-F275 WeakPolarHBondContact O-CB 3.39Å; V272-F275 PolarHBondContact O-N 2.71Å; V272-F276 HydrophobicContact CG1-CD2 4.21Å; V272-F276 HydrophobicContact CG1-CE2 3.63Å; V272-F276 WeakPolarHBondContact O-CD2 3.33Å; V272-F276 PolarHBondContact O-N 2.71Å; V272-T356 HydrophobicContact CG1-CG2 3.97Å; V272-W366 HydrophobicContact CB-CH2 4.45Å; V272-W366 HydrophobicContact CB-CZ3 4.46Å; V272-W366 HydrophobicContact CG1-CH2 4.44Å; V272-W366 HydrophobicContact CG1-CZ3 4.01Å; V272-L369 HydrophobicContact CG1-CD2 3.94Å
273	G	98.4	Very high	98.1	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.2	0	0	0	0	0	113.1	S269 V270 F275 F276 L277	S269-G273 PolarHBondContact O-N 3.35Å; V270-G273 PolarHBondContact O-N 2.73Å; V270-G273 VanDerWaalsContact O-N 3.1Å; G273-F275 VanDerWaalsContact C-N 3.35Å; G273-F275 PolarHBondContact O-N 3.28Å; G273-F276 PolarHBondContact O-N 2.67Å; G273-L277 PolarHBondContact O-N 3.33Å
274	K	98.6	Very high	98.1	Very high	45 Å²	45	29.4 Å²	29.4	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-35.4	177	-66.8	-55.8	-173	-176.8	0	112.2	T259 Y263 V270 L271 L277 I278	T259-K274 HydrophobicContact CG2-CB 4.08Å; Y263-K274 HydrophobicContact CD1-CG 4.36Å; Y263-K274 HydrophobicContact CD2-CB 3.77Å; Y263-K274 HydrophobicContact CD2-CG 3.88Å; Y263-K274 HydrophobicContact CE1-CD 4.04Å; Y263-K274 HydrophobicContact CE1-CG 4.21Å; Y263-K274 HydrophobicContact CE2-CB 3.59Å; Y263-K274 HydrophobicContact CE2-CD 3.9Å; Y263-K274 HydrophobicContact CE2-CG 3.68Å; Y263-K274 HydrophobicContact CG-CG 4.22Å; V270-K274 HydrophobicContact CG1-CG 3.93Å; V270-K274 WeakPolarHBondContact O-CB 3.47Å; V270-K274 WeakPolarHBondContact O-CG 3.22Å; V270-K274 PolarHBondContact O-N 3.04Å; L271-K274 PolarHBondContact O-N 3.48Å; K274-L277 HydrophobicContact CD-CD2 4.16Å; K274-L277 WeakPolarHBondContact O-CB 3.45Å; K274-L277 PolarHBondContact O-N 3.17Å; K274-I278 WeakPolarHBondContact O-CB 3.21Å; K274-I278 WeakPolarHBondContact O-CD1 3.5Å; K274-I278 VanDerWaalsContact O-CG1 3.27Å; K274-I278 WeakPolarHBondContact O-CG1 3.43Å; K274-I278 PolarHBondContact O-N 3.03Å
275	F	98.8	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-53.7	173.8	171.5	-84	0	0	0	110.6	I230 W252 L255 V256 T259 L271 V272 G273 L277 I278 F279 M349	I230-F275 HydrophobicContact CD1-CB 4.47Å; I230-F275 HydrophobicContact CD1-CD1 3.54Å; I230-F275 HydrophobicContact CD1-CD2 4.48Å; I230-F275 HydrophobicContact CD1-CE1 3.85Å; I230-F275 HydrophobicContact CD1-CG 3.92Å; I230-F275 HydrophobicContact CD1-CZ 4.42Å; I230-F275 HydrophobicContact CG1-CD1 4.2Å; I230-F275 HydrophobicContact CG1-CD2 4.29Å; I230-F275 HydrophobicContact CG1-CE1 4.33Å; I230-F275 HydrophobicContact CG1-CE2 4.37Å; I230-F275 HydrophobicContact CG1-CG 4.22Å; I230-F275 HydrophobicContact CG1-CZ 4.42Å; I230-F275 HydrophobicContact CG2-CE1 4.03Å; I230-F275 HydrophobicContact CG2-CE2 4.11Å; I230-F275 HydrophobicContact CG2-CZ 3.71Å; W252-F275 AromaticContact CE3-CZ 3.88Å; W252-F275 HydrophobicContact CE3-CZ 3.88Å; W252-F275 HydrophobicContact CZ3-CE1 4.38Å; W252-F275 AromaticContact CZ3-CZ 3.85Å; W252-F275 HydrophobicContact CZ3-CZ 3.85Å; L255-F275 HydrophobicContact CB-CD2 4.39Å; L255-F275 HydrophobicContact CB-CE2 3.49Å; L255-F275 VanDerWaalsContact CB-CE2 3.49Å; L255-F275 HydrophobicContact CB-CZ 4.15Å; L255-F275 HydrophobicContact CD1-CE2 4.39Å; L255-F275 HydrophobicContact CD1-CZ 4.23Å; V256-F275 HydrophobicContact CG2-CD2 3.9Å; V256-F275 HydrophobicContact CG2-CE2 3.84Å; T259-F275 HydrophobicContact CG2-CB 4.15Å; L271-F275 VanDerWaalsContact O-CB 3.23Å; L271-F275 WeakPolarHBondContact O-CB 3.37Å; L271-F275 PolarHBondContact O-N 3.28Å; V272-F275 WeakPolarHBondContact O-CB 3.39Å; V272-F275 PolarHBondContact O-N 2.71Å; G273-F275 VanDerWaalsContact C-N 3.35Å; G273-F275 PolarHBondContact O-N 3.28Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 PolarHBondContact O-N 2.98Å; F275-I278 PolarHBondContact O-N 3.5Å; F275-F279 HydrophobicContact CD1-CD2 4.36Å; F275-F279 AromaticContact CD2-CD2 3.76Å; F275-F279 HydrophobicContact CD2-CD2 3.76Å; F275-F279 AromaticContact CD2-CE2 3.64Å; F275-F279 HydrophobicContact CD2-CE2 3.64Å; F275-F279 HydrophobicContact CE1-CD2 4.29Å; F275-F279 AromaticContact CE2-CD2 3.73Å; F275-F279 HydrophobicContact CE2-CD2 3.73Å; F275-F279 AromaticContact CE2-CE2 3.72Å; F275-F279 HydrophobicContact CE2-CE2 3.72Å; F275-F279 HydrophobicContact CG-CD2 4.07Å; F275-F279 HydrophobicContact CG-CE2 4.31Å; F275-F279 AromaticContact CZ-CD2 3.97Å; F275-F279 HydrophobicContact CZ-CD2 3.97Å; F275-F279 HydrophobicContact CZ-CE2 4.4Å; F275-F279 WeakPolarHBondContact O-CD2 3.37Å; F275-F279 PolarHBondContact O-N 2.9Å; F275-M349 HydrophobicContact CE1-CE 4.31Å; F275-M349 HydrophobicContact CZ-CE 4.38Å
276	F	98.8	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-37	179.3	-64.9	-59	0	0	0	111.7	I230 W233 V272 G273 T280 M349 A352 L353 T356 L369	I230-F276 HydrophobicContact CD1-CE1 4.24Å; I230-F276 HydrophobicContact CD1-CE2 4.07Å; I230-F276 HydrophobicContact CD1-CZ 3.68Å; W233-F276 AromaticContact CD2-CE1 3.79Å; W233-F276 HydrophobicContact CD2-CE1 3.79Å; W233-F276 AromaticContact CD2-CZ 3.7Å; W233-F276 HydrophobicContact CD2-CZ 3.7Å; W233-F276 AromaticContact CE2-CE1 3.62Å; W233-F276 AromaticContact CE2-CZ 3.79Å; W233-F276 AromaticContact CE3-CE1 3.83Å; W233-F276 HydrophobicContact CE3-CE1 3.83Å; W233-F276 HydrophobicContact CE3-CZ 4Å; W233-F276 HydrophobicContact CG-CZ 4.07Å; W233-F276 HydrophobicContact CH2-CD1 4.43Å; W233-F276 AromaticContact CH2-CE1 3.61Å; W233-F276 HydrophobicContact CH2-CE1 3.61Å; W233-F276 HydrophobicContact CH2-CZ 4.49Å; W233-F276 HydrophobicContact CZ2-CD1 4.41Å; W233-F276 AromaticContact CZ2-CE1 3.55Å; W233-F276 HydrophobicContact CZ2-CE1 3.55Å; W233-F276 HydrophobicContact CZ2-CZ 4.21Å; W233-F276 AromaticContact CZ3-CE1 3.74Å; W233-F276 HydrophobicContact CZ3-CE1 3.74Å; W233-F276 HydrophobicContact CZ3-CZ 4.39Å; V272-F276 HydrophobicContact CG1-CD2 4.21Å; V272-F276 HydrophobicContact CG1-CE2 3.63Å; V272-F276 WeakPolarHBondContact O-CD2 3.33Å; V272-F276 PolarHBondContact O-N 2.71Å; G273-F276 PolarHBondContact O-N 2.67Å; F276-T280 WeakPolarHBondContact O-CB 3.07Å; F276-T280 PolarHBondContact O-N 2.67Å; F276-T280 PolarHBondContact O-OG1 3.46Å; F276-M349 HydrophobicContact CD1-CB 4.42Å; F276-M349 HydrophobicContact CD1-CG 4.35Å; F276-A352 HydrophobicContact CD1-CB 3.59Å; F276-A352 HydrophobicContact CD2-CB 3.96Å; F276-A352 HydrophobicContact CE1-CB 3.43Å; F276-A352 VanDerWaalsContact CE1-CB 3.43Å; F276-A352 HydrophobicContact CE2-CB 3.79Å; F276-A352 HydrophobicContact CG-CB 3.87Å; F276-A352 HydrophobicContact CZ-CB 3.53Å; F276-L353 HydrophobicContact CB-CB 3.89Å; F276-L353 HydrophobicContact CB-CD1 3.99Å; F276-T356 HydrophobicContact CD2-CG2 3.7Å; F276-T356 HydrophobicContact CE2-CG2 3.74Å; F276-L369 HydrophobicContact CE2-CD1 4Å; F276-L369 HydrophobicContact CE2-CD2 4.26Å; F276-L369 HydrophobicContact CZ-CD1 4.23Å
277	L	98.5	Very high	98.1	Very high	35 Å²	35	37.4 Å²	37.4	18%	0.183	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-47.7	177	178.5	62.6	0	0	0	111.9	G273 K274 F275 R281 L353	G273-L277 PolarHBondContact O-N 3.33Å; K274-L277 HydrophobicContact CD-CD2 4.16Å; K274-L277 WeakPolarHBondContact O-CB 3.45Å; K274-L277 PolarHBondContact O-N 3.17Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 PolarHBondContact O-N 2.98Å; L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 WeakPolarHBondContact O-CG 3.37Å; L277-R281 PolarHBondContact O-N 2.98Å; L277-L353 HydrophobicContact CB-CD1 3.89Å; L277-L353 HydrophobicContact CD1-CD1 4.48Å; L277-L353 HydrophobicContact CD1-CD2 4.27Å
278	I	98.4	Very high	98.1	Very high	20 Å²	20	37 Å²	37	10%	0.103	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-54.9	-179.3	-70.9	160.2	0	0	0	109.7	T259 L262 Y263 K274 F275 R281 W282	T259-I278 HydrophobicContact CG2-CD1 3.96Å; L262-I278 HydrophobicContact CD1-CD1 3.7Å; L262-I278 HydrophobicContact CD1-CG1 4.38Å; Y263-I278 HydrophobicContact CD2-CD1 4.34Å; Y263-I278 HydrophobicContact CE2-CD1 3.81Å; Y263-I278 HydrophobicContact CE2-CG1 4.48Å; K274-I278 WeakPolarHBondContact O-CB 3.21Å; K274-I278 WeakPolarHBondContact O-CD1 3.5Å; K274-I278 VanDerWaalsContact O-CG1 3.27Å; K274-I278 WeakPolarHBondContact O-CG1 3.43Å; K274-I278 PolarHBondContact O-N 3.03Å; F275-I278 PolarHBondContact O-N 3.5Å; I278-R281 CarbonylContact O-C 3.19Å; I278-R281 PolarHBondContact O-N 3.12Å; I278-R281 VanDerWaalsContact O-N 3.13Å; I278-W282 HydrophobicContact CG2-CE3 3.78Å; I278-W282 HydrophobicContact CG2-CZ3 4.15Å; I278-W282 PolarHBondContact O-N 3.15Å
279	F	98.5	Very high	98.1	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-80.6	-19.2	-169.2	-62.5	-59.8	0	0	0	114.4	L255 R258 T259 F275 R281 W282 W284 V288 M349	L255-F279 HydrophobicContact CB-CD2 4.18Å; L255-F279 HydrophobicContact CB-CE1 4.44Å; L255-F279 HydrophobicContact CB-CE2 3.55Å; L255-F279 HydrophobicContact CB-CZ 3.7Å; L255-F279 HydrophobicContact CD2-CD1 3.73Å; L255-F279 HydrophobicContact CD2-CD2 4.36Å; L255-F279 HydrophobicContact CD2-CE1 3.28Å; L255-F279 HydrophobicContact CD2-CE2 3.97Å; L255-F279 HydrophobicContact CD2-CG 4.26Å; L255-F279 HydrophobicContact CD2-CZ 3.41Å; L255-F279 VanDerWaalsContact CD2-CZ 3.41Å; L255-F279 HydrophobicContact CG-CE1 4.37Å; L255-F279 HydrophobicContact CG-CE2 4.24Å; L255-F279 HydrophobicContact CG-CZ 4.1Å; L255-F279 VanDerWaalsContact O-CE2 3.28Å; L255-F279 WeakPolarHBondContact O-CE2 3.21Å; L255-F279 WeakPolarHBondContact O-CZ 3.36Å; R258-F279 HydrophobicContact CB-CZ 4.33Å; R258-F279 HydrophobicContact CG-CZ 4.49Å; T259-F279 WeakPolarHBondContact OG1-CE2 3.09Å; F275-F279 HydrophobicContact CD1-CD2 4.36Å; F275-F279 AromaticContact CD2-CD2 3.76Å; F275-F279 HydrophobicContact CD2-CD2 3.76Å; F275-F279 AromaticContact CD2-CE2 3.64Å; F275-F279 HydrophobicContact CD2-CE2 3.64Å; F275-F279 HydrophobicContact CE1-CD2 4.29Å; F275-F279 AromaticContact CE2-CD2 3.73Å; F275-F279 HydrophobicContact CE2-CD2 3.73Å; F275-F279 AromaticContact CE2-CE2 3.72Å; F275-F279 HydrophobicContact CE2-CE2 3.72Å; F275-F279 HydrophobicContact CG-CD2 4.07Å; F275-F279 HydrophobicContact CG-CE2 4.31Å; F275-F279 AromaticContact CZ-CD2 3.97Å; F275-F279 HydrophobicContact CZ-CD2 3.97Å; F275-F279 HydrophobicContact CZ-CE2 4.4Å; F275-F279 WeakPolarHBondContact O-CD2 3.37Å; F275-F279 PolarHBondContact O-N 2.9Å; F279-R281 VanDerWaalsContact C-N 3.32Å; F279-W282 HydrophobicContact CD1-CB 4.32Å; F279-W282 HydrophobicContact CD1-CD2 4.46Å; F279-W282 HydrophobicContact CD1-CE3 4.43Å; F279-W282 HydrophobicContact CD1-CG 4.43Å; F279-W282 HydrophobicContact CE1-CE3 4.28Å; F279-W284 HydrophobicContact CD1-CZ2 4.35Å; F279-V288 HydrophobicContact CE1-CG1 4.46Å; F279-V288 HydrophobicContact CE1-CG2 3.94Å; F279-M349 HydrophobicContact CB-CE 4.11Å; F279-M349 HydrophobicContact CB-SD 3.65Å
280	T	98.3	Very high	98.1	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.202	19%	0.193	C	C	.	.	H	α-helix	trans	-68.5	-32	165.1	-63.2	0	0	0	0	112.2	F276 N350 L353	F276-T280 WeakPolarHBondContact O-CB 3.07Å; F276-T280 PolarHBondContact O-N 2.67Å; F276-T280 PolarHBondContact O-OG1 3.46Å; T280-N350 WeakPolarHBondContact CG2-OD1 3.29Å; T280-L353 HydrophobicContact CG2-CD2 4.09Å
281	R	97.7	Very high	97.9	Very high	164 Å²	164	41.4 Å²	41.4	62%	0.619	20%	0.201	S	C	*	.	S	Bend	trans	-100.1	2.9	-178.8	-64.9	-173.9	177.4	-176.7	3.3	113.2	L277 I278 F279 N283	L277-R281 WeakPolarHBondContact O-CB 3.46Å; L277-R281 WeakPolarHBondContact O-CG 3.37Å; L277-R281 PolarHBondContact O-N 2.98Å; I278-R281 CarbonylContact O-C 3.19Å; I278-R281 PolarHBondContact O-N 3.12Å; I278-R281 VanDerWaalsContact O-N 3.13Å; F279-R281 VanDerWaalsContact C-N 3.32Å; R281-N283 PolarHBondContact O-N 3.03Å
282	W	98.1	Very high	97.6	Very high	45 Å²	45	46.5 Å²	46.5	17%	0.17	23%	0.228	C	C	.	.			trans	-70.6	129.1	-176.9	-166.3	-90.8	0	0	0	110	I278 F279 W284 K286 V288	I278-W282 HydrophobicContact CG2-CE3 3.78Å; I278-W282 HydrophobicContact CG2-CZ3 4.15Å; I278-W282 PolarHBondContact O-N 3.15Å; F279-W282 HydrophobicContact CD1-CB 4.32Å; F279-W282 HydrophobicContact CD1-CD2 4.46Å; F279-W282 HydrophobicContact CD1-CE3 4.43Å; F279-W282 HydrophobicContact CD1-CG 4.43Å; F279-W282 HydrophobicContact CE1-CE3 4.28Å; W282-W284 VanDerWaalsContact C-N 3.29Å; W282-W284 HydrophobicContact CB-CZ2 4.29Å; W282-W284 AromaticContact CD1-CD2 3.5Å; W282-W284 VanDerWaalsContact CD1-CD2 3.5Å; W282-W284 AromaticContact CD1-CE2 3.58Å; W282-W284 AromaticContact CD1-CE3 3.55Å; W282-W284 AromaticContact CD1-CH2 3.88Å; W282-W284 AromaticContact CD1-CZ2 3.78Å; W282-W284 AromaticContact CD1-CZ3 3.76Å; W282-W284 HydrophobicContact CG-CD2 4.4Å; W282-W284 HydrophobicContact CG-CH2 4.5Å; W282-W284 HydrophobicContact CG-CZ2 4.16Å; W282-W284 AromaticContact NE1-CE3 3.92Å; W282-W284 AromaticContact NE1-CZ3 3.87Å; W282-W284 PolarHBondContact O-N 3.38Å; W282-K286 PolarHBondContact NE1-O 3.42Å; W282-V288 HydrophobicContact CD2-CG2 4.19Å; W282-V288 HydrophobicContact CH2-CG2 4.31Å; W282-V288 HydrophobicContact CZ2-CB 4.31Å; W282-V288 HydrophobicContact CZ2-CG2 3.65Å
283	N	97	Very high	96.8	Very high	130 Å²	130	50 Å²	50	70%	0.695	26%	0.258	S	S	*	.			trans	-81.3	73.2	-175.7	-171.3	30.2	0	0	0	111.2	R281 K286	R281-N283 PolarHBondContact O-N 3.03Å; N283-K286 WeakPolarHBondContact O-CB 3.44Å; N283-K286 PolarHBondContact O-N 3.05Å
284	W	97.7	Very high	95.9	Very high	24 Å²	24	53.6 Å²	53.6	9%	0.091	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141.8	176.5	-60.3	113	0	0	0	111.6	F279 W282 V288 M321 I323 E346	F279-W284 HydrophobicContact CD1-CZ2 4.35Å; W282-W284 VanDerWaalsContact C-N 3.29Å; W282-W284 HydrophobicContact CB-CZ2 4.29Å; W282-W284 AromaticContact CD1-CD2 3.5Å; W282-W284 VanDerWaalsContact CD1-CD2 3.5Å; W282-W284 AromaticContact CD1-CE2 3.58Å; W282-W284 AromaticContact CD1-CE3 3.55Å; W282-W284 AromaticContact CD1-CH2 3.88Å; W282-W284 AromaticContact CD1-CZ2 3.78Å; W282-W284 AromaticContact CD1-CZ3 3.76Å; W282-W284 HydrophobicContact CG-CD2 4.4Å; W282-W284 HydrophobicContact CG-CH2 4.5Å; W282-W284 HydrophobicContact CG-CZ2 4.16Å; W282-W284 AromaticContact NE1-CE3 3.92Å; W282-W284 AromaticContact NE1-CZ3 3.87Å; W282-W284 PolarHBondContact O-N 3.38Å; W284-V288 HydrophobicContact CH2-CG2 3.67Å; W284-V288 HydrophobicContact CZ3-CG2 3.98Å; W284-M321 HydrophobicContact CD2-CB 4.18Å; W284-M321 HydrophobicContact CD2-CE 4.14Å; W284-M321 HydrophobicContact CD2-CG 4.05Å; W284-M321 VanDerWaalsContact CE2-CE 3.44Å; W284-M321 VanDerWaalsContact CE3-CA 3.44Å; W284-M321 HydrophobicContact CE3-CB 3.87Å; W284-M321 HydrophobicContact CE3-CG 4.24Å; W284-M321 HydrophobicContact CG-CG 4.38Å; W284-M321 HydrophobicContact CH2-CB 4.23Å; W284-M321 HydrophobicContact CH2-CE 4.26Å; W284-M321 HydrophobicContact CZ2-CE 3.53Å; W284-M321 HydrophobicContact CZ3-CB 3.89Å; W284-I323 HydrophobicContact CH2-CG1 4.17Å; W284-I323 HydrophobicContact CZ3-CG1 4.49Å; W284-E346 VanDerWaalsContact CD1-OE1 3.32Å
285	P	96.8	Very high	94.8	Very high	78 Å²	78	57 Å²	57	51%	0.506	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.9	27.8	9.2	37.9	-37.2	0	0	0	114.2	H319 P322	P285-H319 WeakPolarHBondContact CB-O 3.44Å; P285-P322 HydrophobicContact CB-CG 4.42Å; P285-P322 VanDerWaalsContact O-CD 3.27Å; P285-P322 WeakPolarHBondContact O-CD 3.47Å; P285-P322 WeakPolarHBondContact O-CG 3.34Å
286	K	97	Very high	93.6	Very high	134 Å²	134	59.8 Å²	59.8	58%	0.583	32%	0.322	S	S	*	.	S	Bend	trans	-54	127.2	174.2	-175.1	178.4	179.7	178.7	0	109.7	W282 N283	W282-K286 PolarHBondContact NE1-O 3.42Å; N283-K286 WeakPolarHBondContact O-CB 3.44Å; N283-K286 PolarHBondContact O-N 3.05Å
287	P	97.5	Very high	92.6	Very high	40 Å²	40	63.1 Å²	63.1	26%	0.26	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.7	-174.3	26.9	-34.7	0	0	0	111.8	L289 W308 P322 I324	P287-L289 HydrophobicContact CB-CD2 4.3Å; P287-W308 HydrophobicContact CB-CH2 4.02Å; P287-W308 HydrophobicContact CB-CZ3 4.09Å; P287-W308 HydrophobicContact CG-CH2 4.28Å; P287-W308 HydrophobicContact CG-CZ3 4.34Å; P287-P322 WeakPolarHBondContact CA-O 3.47Å; P287-P322 HydrophobicContact CB-CB 4.07Å; P287-I324 HydrophobicContact CB-CG1 4.01Å
288	V	98.4	Very high	91.8	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-83.7	120.5	165.4	-178.5	0	0	0	0	108.5	L255 R258 F279 W282 W284 P322 I323 I324	L255-V288 HydrophobicContact CD2-CB 4.36Å; L255-V288 HydrophobicContact CD2-CG1 4.18Å; L255-V288 HydrophobicContact CD2-CG2 3.94Å; R258-V288 HydrophobicContact CB-CG1 4.13Å; R258-V288 HydrophobicContact CG-CG1 3.99Å; F279-V288 HydrophobicContact CE1-CG1 4.46Å; F279-V288 HydrophobicContact CE1-CG2 3.94Å; W282-V288 HydrophobicContact CD2-CG2 4.19Å; W282-V288 HydrophobicContact CH2-CG2 4.31Å; W282-V288 HydrophobicContact CZ2-CB 4.31Å; W282-V288 HydrophobicContact CZ2-CG2 3.65Å; W284-V288 HydrophobicContact CH2-CG2 3.67Å; W284-V288 HydrophobicContact CZ3-CG2 3.98Å; V288-P322 PolarHBondContact N-O 3.39Å; V288-I323 HydrophobicContact CB-CG1 4.46Å; V288-I323 HydrophobicContact CB-CG2 4.41Å; V288-I324 PolarHBondContact O-N 3.41Å
289	L	97.9	Very high	91.1	Very high	54 Å²	54	69.1 Å²	69.1	28%	0.283	39%	0.39	S	S	.	.			trans	-120.9	138	177.4	-54.2	175.8	0	0	0	109.1	I25 P287 I324	I25-L289 HydrophobicContact CD1-CB 4.04Å; I25-L289 HydrophobicContact CG2-CB 4.21Å; P287-L289 HydrophobicContact CB-CD2 4.3Å; L289-I324 HydrophobicContact CD2-CB 3.63Å; L289-I324 HydrophobicContact CD2-CG1 3.62Å; L289-I324 HydrophobicContact CD2-CG2 4.17Å
290	L	97.9	Very high	90.6	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.01	39%	0.39	C	S	.	.	S	Bend	trans	-89.4	-34.1	172.4	-65.5	-178.9	0	0	0	112.6	G24 I213 L216 M254 A257 R258 Q261 P326	G24-L290 WeakPolarHBondContact CA-O 3.48Å; I213-L290 HydrophobicContact CG1-CD1 4.12Å; L216-L290 HydrophobicContact CD1-CB 3.7Å; L216-L290 HydrophobicContact CD1-CD1 4.38Å; M254-L290 HydrophobicContact CB-CD1 4.19Å; M254-L290 HydrophobicContact CG-CD1 3.99Å; M254-L290 WeakPolarHBondContact O-CD2 3.3Å; A257-L290 HydrophobicContact CB-CD1 3.96Å; A257-L290 HydrophobicContact CB-CD2 3.93Å; R258-L290 HydrophobicContact CB-CD2 3.66Å; R258-L290 VanDerWaalsContact N-CD2 3.35Å; Q261-L290 PolarHBondContact NE2-O 2.83Å; Q261-L290 PolarHBondContact OE1-O 3.45Å; L290-P326 HydrophobicContact CB-CB 4.35Å; L290-P326 HydrophobicContact CD1-CB 4.48Å; L290-P326 HydrophobicContact CD1-CG 4.24Å
291	K	94.9	Very high	90	Very high	54 Å²	54	71.4 Å²	71.4	24%	0.235	41%	0.406	C	S	.	.	S	Bend	trans	-140.5	164.1	176.7	66.6	168.2	-179.5	178	0	111.1	E212 L216 P326	E212-K291 VanDerWaalsContact OE1-CD 3.28Å; E212-K291 WeakPolarHBondContact OE1-CD 3.37Å; E212-K291 WeakPolarHBondContact OE1-CE 3.35Å; E212-K291 IonicContact OE1-NZ 2.82Å; E212-K291 PolarHBondContact OE1-NZ 3.06Å; L216-K291 HydrophobicContact CD1-CB 4.14Å; L216-K291 HydrophobicContact CD1-CD 4.26Å; L216-K291 HydrophobicContact CD1-CG 4.12Å; L216-K291 HydrophobicContact CD2-CB 4.14Å; K291-P326 WeakPolarHBondContact CE-O 3.42Å; K291-P326 HydrophobicContact CG-CB 4.26Å
292	N	90.6	Very high	89.4	Confident	109 Å²	109	73.6 Å²	73.6	58%	0.583	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-68.5	146.7	173.4	-70.6	-35.7	0	0	0	109.2	I25 T294	I25-N292 VanDerWaalsContact CG2-OD1 3.32Å; I25-N292 WeakPolarHBondContact CG2-OD1 3.45Å; N292-T294 PolarHBondContact O-N 3.28Å
293	A	83.1	Confident	89	Confident	74 Å²	74	72.3 Å²	72.3	61%	0.612	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-67.2	127.6	169.4	0	0	0	0	0	108.9
294	T	78.6	Confident	88.6	Confident	81 Å²	81	69.4 Å²	69.4	50%	0.497	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-66.7	134.5	170.8	-46.8	0	0	0	0	108.6	N292 T296	N292-T294 PolarHBondContact O-N 3.28Å; T294-T296 PolarHBondContact O-N 2.91Å; T294-T296 VanDerWaalsContact O-N 3.11Å; T294-T296 PolarHBondContact O-OG1 2.96Å
295	P	76.7	Confident	88.1	Confident	117 Å²	117	74.4 Å²	74.4	76%	0.76	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-53	121.4	172.7	-24.3	33.2	0	0	0	109.5	P297	P295-P297 WeakPolarHBondContact O-CD 3.08Å
296	T	73.8	Confident	87.8	Confident	58 Å²	58	73.2 Å²	73.2	36%	0.356	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-85.4	125.1	-172	-40.3	0	0	0	0	111.3	T294 F300 M304 F328	T294-T296 PolarHBondContact O-N 2.91Å; T294-T296 VanDerWaalsContact O-N 3.11Å; T294-T296 PolarHBondContact O-OG1 2.96Å; T296-F300 HydrophobicContact CG2-CB 3.43Å; T296-F300 VanDerWaalsContact CG2-CB 3.43Å; T296-F300 HydrophobicContact CG2-CD2 3.77Å; T296-F300 HydrophobicContact CG2-CG 3.72Å; T296-M304 HydrophobicContact CG2-CE 3.2Å; T296-M304 WeakPolarHBondContact OG1-CE 3.18Å; T296-F328 HydrophobicContact CG2-CD2 4.42Å; T296-F328 HydrophobicContact CG2-CE2 3.76Å; T296-F328 HydrophobicContact CG2-CZ 3.89Å
297	P	77.7	Confident	87.6	Confident	70 Å²	70	67.9 Å²	67.9	46%	0.455	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.6	155.6	175.9	-22.2	31.9	0	0	0	113.1	P295 C299 F300	P295-P297 WeakPolarHBondContact O-CD 3.08Å; P297-C299 PolarHBondContact O-N 3.23Å; P297-C299 VanDerWaalsContact O-N 3.12Å; P297-F300 HydrophobicContact CB-CD2 3.99Å; P297-F300 HydrophobicContact CB-CE2 4.29Å; P297-F300 HydrophobicContact CG-CD2 4.01Å; P297-F300 HydrophobicContact CG-CE2 3.97Å; P297-F300 PolarHBondContact O-N 2.8Å
298	S	82.3	Confident	87.5	Confident	112 Å²	112	67.7 Å²	67.7	78%	0.783	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-58.4	-27	-179.1	55.9	0	0	0	0	114.1	F300 S301	S298-F300 PolarHBondContact O-N 2.71Å; S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.19Å; S298-S301 VanDerWaalsContact O-N 3.16Å; S298-S301 PolarHBondContact O-OG 3.35Å
299	C	83.3	Confident	87.3	Confident	69 Å²	69	69 Å²	69	47%	0.466	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.2	177.2	59.7	0	0	0	0	113.8	L194 P297	L194-C299 HydrophobicContact CD2-CB 4.19Å; P297-C299 PolarHBondContact O-N 3.23Å; P297-C299 VanDerWaalsContact O-N 3.12Å
300	F	86.5	Confident	87.1	Confident	5 Å²	5	68.3 Å²	68.3	2%	0.022	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-95.2	9.7	177.3	-66.3	-84.5	0	0	0	113.9	D190 L194 T296 P297 S298 R302 L303 M304 F328	D190-F300 HydrophobicContact CB-CE1 4.15Å; D190-F300 HydrophobicContact CB-CZ 3.92Å; D190-F300 VanDerWaalsContact O-CE1 3.27Å; D190-F300 WeakPolarHBondContact O-CE1 3.2Å; L194-F300 HydrophobicContact CD1-CZ 4.47Å; L194-F300 HydrophobicContact CD2-CD1 3.9Å; L194-F300 HydrophobicContact CD2-CE1 3.77Å; L194-F300 HydrophobicContact CD2-CE2 4.48Å; L194-F300 HydrophobicContact CD2-CG 4.31Å; L194-F300 HydrophobicContact CD2-CZ 4.08Å; L194-F300 HydrophobicContact CG-CE1 4.06Å; L194-F300 HydrophobicContact CG-CZ 4.17Å; T296-F300 HydrophobicContact CG2-CB 3.43Å; T296-F300 VanDerWaalsContact CG2-CB 3.43Å; T296-F300 HydrophobicContact CG2-CD2 3.77Å; T296-F300 HydrophobicContact CG2-CG 3.72Å; P297-F300 HydrophobicContact CB-CD2 3.99Å; P297-F300 HydrophobicContact CB-CE2 4.29Å; P297-F300 HydrophobicContact CG-CD2 4.01Å; P297-F300 HydrophobicContact CG-CE2 3.97Å; P297-F300 PolarHBondContact O-N 2.8Å; S298-F300 PolarHBondContact O-N 2.71Å; F300-R302 PolarHBondContact O-N 2.97Å; F300-R302 VanDerWaalsContact O-N 3.09Å; F300-L303 HydrophobicContact CD1-CD1 3.96Å; F300-L303 WeakPolarHBondContact O-CA 3.49Å; F300-L303 PolarHBondContact O-N 3.04Å; F300-M304 HydrophobicContact CB-CE 4.19Å; F300-M304 PolarHBondContact O-N 3.03Å; F300-F328 HydrophobicContact CB-CE1 4.33Å; F300-F328 HydrophobicContact CB-CZ 4Å; F300-F328 HydrophobicContact CD1-CD1 4.37Å; F300-F328 AromaticContact CD1-CE1 3.55Å; F300-F328 HydrophobicContact CD1-CE1 3.55Å; F300-F328 HydrophobicContact CD1-CZ 4.1Å; F300-F328 HydrophobicContact CE1-CE1 4.17Å; F300-F328 HydrophobicContact CG-CE1 4.17Å; F300-F328 HydrophobicContact CG-CZ 4.29Å
301	S	85.8	Confident	86.8	Confident	77 Å²	77	77.5 Å²	77.5	54%	0.538	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-49.3	-38.7	-178.1	49.4	0	0	0	0	113.7	S298 L303 M304	S298-S301 WeakPolarHBondContact O-CB 3.49Å; S298-S301 PolarHBondContact O-N 3.19Å; S298-S301 VanDerWaalsContact O-N 3.16Å; S298-S301 PolarHBondContact O-OG 3.35Å; S301-L303 PolarHBondContact O-N 3.41Å; S301-M304 WeakPolarHBondContact O-CB 3.15Å; S301-M304 PolarHBondContact O-N 3.32Å
302	R	85.9	Confident	86.6	Confident	210 Å²	210	80.1 Å²	80.1	79%	0.792	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.3	-19.2	177.3	-59.2	-174.1	-166.9	171.6	4.8	114.5	F300	F300-R302 PolarHBondContact O-N 2.97Å; F300-R302 VanDerWaalsContact O-N 3.09Å
303	L	89.5	Confident	86.6	Confident	19 Å²	19	77.4 Å²	77.4	10%	0.099	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-96.6	-8.9	179.9	-60.1	-179.4	0	0	0	112.2	L193 I201 F300 S301 D305 L306 F328	L193-L303 HydrophobicContact CB-CD1 3.85Å; L193-L303 HydrophobicContact CD1-CD1 4.23Å; I201-L303 HydrophobicContact CD1-CD2 3.57Å; F300-L303 HydrophobicContact CD1-CD1 3.96Å; F300-L303 WeakPolarHBondContact O-CA 3.49Å; F300-L303 PolarHBondContact O-N 3.04Å; S301-L303 PolarHBondContact O-N 3.41Å; L303-D305 PolarHBondContact O-N 2.8Å; L303-L306 HydrophobicContact CD2-CD1 4Å; L303-L306 WeakPolarHBondContact O-CB 3.31Å; L303-L306 PolarHBondContact O-N 3.23Å; L303-F328 HydrophobicContact CB-CE1 3.97Å; L303-F328 HydrophobicContact CB-CZ 3.83Å; L303-F328 HydrophobicContact CD1-CE1 4.09Å
304	M	88.5	Confident	87.1	Confident	69 Å²	69	79.3 Å²	79.3	34%	0.34	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-58.7	-35.2	175	-69.9	-65.7	121.3	0	0	112.3	T296 F300 S301 L306 V307 F328	T296-M304 HydrophobicContact CG2-CE 3.2Å; T296-M304 WeakPolarHBondContact OG1-CE 3.18Å; F300-M304 HydrophobicContact CB-CE 4.19Å; F300-M304 PolarHBondContact O-N 3.03Å; S301-M304 WeakPolarHBondContact O-CB 3.15Å; S301-M304 PolarHBondContact O-N 3.32Å; M304-L306 PolarHBondContact O-N 2.98Å; M304-L306 VanDerWaalsContact O-N 3.09Å; M304-V307 WeakPolarHBondContact O-CB 3.37Å; M304-V307 PolarHBondContact O-N 3.37Å; M304-F328 HydrophobicContact CE-CE2 3.65Å; M304-F328 HydrophobicContact CE-CZ 3.82Å
305	D	88.4	Confident	87.8	Confident	129 Å²	129	79 Å²	79	69%	0.69	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-65.5	-10.5	176.3	-71.5	-19.3	0	0	0	113.4	L303 K313	L303-D305 PolarHBondContact O-N 2.8Å; D305-K313 VanDerWaalsContact C-NZ 3.28Å; D305-K313 VanDerWaalsContact O-CE 3.23Å; D305-K313 WeakPolarHBondContact O-CE 3.4Å; D305-K313 PolarHBondContact O-NZ 3.23Å
306	L	90.5	Very high	88.7	Confident	52 Å²	52	74.1 Å²	74.1	27%	0.272	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-95	-18.9	173.1	-58.7	178.4	0	0	0	112.9	I201 L303 M304 P329	I201-L306 HydrophobicContact CG2-CD1 4.41Å; L303-L306 HydrophobicContact CD2-CD1 4Å; L303-L306 WeakPolarHBondContact O-CB 3.31Å; L303-L306 PolarHBondContact O-N 3.23Å; M304-L306 PolarHBondContact O-N 2.98Å; M304-L306 VanDerWaalsContact O-N 3.09Å; L306-P329 HydrophobicContact CB-CB 3.78Å; L306-P329 HydrophobicContact CB-CG 3.75Å; L306-P329 HydrophobicContact CD1-CG 4.11Å
307	V	93	Very high	89.7	Confident	22 Å²	22	78.4 Å²	78.4	13%	0.133	41%	0.405	C	S	.	.	S	Bend	trans	-74.9	131.5	-177.3	-179	0	0	0	0	110.5	M304 D309 K313 F328 P329 Q330	M304-V307 WeakPolarHBondContact O-CB 3.37Å; M304-V307 PolarHBondContact O-N 3.37Å; V307-D309 PolarHBondContact O-N 2.89Å; V307-K313 WeakPolarHBondContact O-CE 3.4Å; V307-K313 PolarHBondContact O-NZ 3.07Å; V307-F328 HydrophobicContact CG2-CD2 4.05Å; V307-F328 HydrophobicContact CG2-CE2 3.49Å; V307-F328 VanDerWaalsContact CG2-CE2 3.49Å; V307-F328 HydrophobicContact CG2-CZ 4.23Å; V307-P329 HydrophobicContact CG2-CB 3.73Å; V307-Q330 CarbonylContact C-O 3.49Å; V307-Q330 WeakPolarHBondContact CA-O 3.47Å
308	W	94.1	Very high	90.6	Very high	37 Å²	37	82.4 Å²	82.4	14%	0.14	42%	0.416	C	S	.	.			trans	-69.5	117.2	171.1	-179.5	80.3	0	0	0	109.6	P287 P310 D316 H319 P322 I324 Q330 N332	P287-W308 HydrophobicContact CB-CH2 4.02Å; P287-W308 HydrophobicContact CB-CZ3 4.09Å; P287-W308 HydrophobicContact CG-CH2 4.28Å; P287-W308 HydrophobicContact CG-CZ3 4.34Å; W308-P310 HydrophobicContact CH2-CG 3.72Å; W308-P310 HydrophobicContact CZ2-CB 4.35Å; W308-P310 HydrophobicContact CZ2-CG 3.96Å; W308-P310 HydrophobicContact CZ3-CG 4.2Å; W308-D316 WeakPolarHBondContact CA-OD2 3.26Å; W308-D316 VanDerWaalsContact CD1-OD2 3.22Å; W308-D316 VanDerWaalsContact NE1-CB 3.31Å; W308-D316 VanDerWaalsContact NE1-CG 3.34Å; W308-H319 AromaticContact CD1-CE1 3.78Å; W308-H319 AromaticContact CD1-ND1 3.56Å; W308-H319 AromaticContact NE1-CE1 3.59Å; W308-H319 AromaticContact NE1-ND1 2.95Å; W308-H319 PolarHBondContact NE1-ND1 2.73Å; W308-P322 HydrophobicContact CH2-CB 4Å; W308-P322 HydrophobicContact CH2-CG 4.34Å; W308-P322 HydrophobicContact CZ2-CB 3.79Å; W308-P322 HydrophobicContact CZ2-CG 3.97Å; W308-I324 HydrophobicContact CD2-CD1 3.5Å; W308-I324 VanDerWaalsContact CD2-CD1 3.5Å; W308-I324 HydrophobicContact CD2-CG1 4.48Å; W308-I324 HydrophobicContact CE3-CD1 3.35Å; W308-I324 HydrophobicContact CE3-CG1 3.87Å; W308-I324 HydrophobicContact CG-CD1 4.07Å; W308-I324 HydrophobicContact CH2-CD1 4.2Å; W308-I324 HydrophobicContact CZ2-CD1 4.35Å; W308-I324 HydrophobicContact CZ3-CD1 3.73Å; W308-I324 HydrophobicContact CZ3-CG1 4Å; W308-Q330 PolarHBondContact N-O 3.35Å; W308-N332 HydrophobicContact CD2-CB 4.39Å; W308-N332 HydrophobicContact CG-CB 3.93Å
309	D	93.6	Very high	91.3	Very high	28 Å²	28	78.6 Å²	78.6	15%	0.15	39%	0.386	C	S	.	.			trans	-150	104.6	176.8	-169.8	-21.9	0	0	0	110.3	V307 R311 V312 K313 D316	V307-D309 PolarHBondContact O-N 2.89Å; D309-R311 PolarHBondContact O-N 3.43Å; D309-R311 VanDerWaalsContact O-N 3.11Å; D309-R311 WeakPolarHBondContact OD1-CB 3.3Å; D309-R311 WeakPolarHBondContact OD1-CG 3.43Å; D309-R311 IonicContact OD1-CZ 2.75Å; D309-R311 PolarHBondContact OD1-N 2.89Å; D309-R311 IonicContact OD1-NE 3.61Å; D309-R311 PolarHBondContact OD1-NE 3.26Å; D309-R311 IonicContact OD1-NH2 2.81Å; D309-R311 IonicContact OD2-CZ 3.28Å; D309-R311 IonicContact OD2-NE 3.71Å; D309-R311 PolarHBondContact OD2-NE 2.74Å; D309-R311 IonicContact OD2-NH2 3.14Å; D309-R311 PolarHBondContact OD2-NH2 2.94Å; D309-V312 HydrophobicContact CB-CB 4.35Å; D309-V312 HydrophobicContact CB-CG2 4.35Å; D309-V312 PolarHBondContact O-N 2.9Å; D309-V312 VanDerWaalsContact O-N 3.14Å; D309-K313 PolarHBondContact O-N 3Å; D309-D316 PolarHBondContact N-OD2 2.62Å
310	P	94	Very high	91.9	Very high	41 Å²	41	77.2 Å²	77.2	27%	0.266	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.9	-179.4	28.3	-35.4	0	0	0	113.6	W308 D316 R317	W308-P310 HydrophobicContact CH2-CG 3.72Å; W308-P310 HydrophobicContact CZ2-CB 4.35Å; W308-P310 HydrophobicContact CZ2-CG 3.96Å; W308-P310 HydrophobicContact CZ3-CG 4.2Å; P310-D316 HydrophobicContact CB-CB 4.23Å; P310-R317 HydrophobicContact CB-CG 4.09Å; P310-R317 WeakPolarHBondContact O-CG 3.27Å; P310-R317 PolarHBondContact O-NE 3.19Å
311	R	92.1	Very high	92.5	Very high	194 Å²	194	77 Å²	77	73%	0.732	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-38.2	175.8	-57.6	167.6	-65.7	-177	4.9	110.6	D309 R317	D309-R311 PolarHBondContact O-N 3.43Å; D309-R311 VanDerWaalsContact O-N 3.11Å; D309-R311 WeakPolarHBondContact OD1-CB 3.3Å; D309-R311 WeakPolarHBondContact OD1-CG 3.43Å; D309-R311 IonicContact OD1-CZ 2.75Å; D309-R311 PolarHBondContact OD1-N 2.89Å; D309-R311 IonicContact OD1-NE 3.61Å; D309-R311 PolarHBondContact OD1-NE 3.26Å; D309-R311 IonicContact OD1-NH2 2.81Å; D309-R311 IonicContact OD2-CZ 3.28Å; D309-R311 IonicContact OD2-NE 3.71Å; D309-R311 PolarHBondContact OD2-NE 2.74Å; D309-R311 IonicContact OD2-NH2 3.14Å; D309-R311 PolarHBondContact OD2-NH2 2.94Å; R311-R317 PolarHBondContact O-NH2 2.66Å; R311-R317 VanDerWaalsContact O-NH2 3.11Å
312	V	90	Very high	93.1	Very high	110 Å²	110	73.4 Å²	73.4	67%	0.667	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-48.6	-176.7	-176.9	0	0	0	0	111.3	D309	D309-V312 HydrophobicContact CB-CB 4.35Å; D309-V312 HydrophobicContact CB-CG2 4.35Å; D309-V312 PolarHBondContact O-N 2.9Å; D309-V312 VanDerWaalsContact O-N 3.14Å
313	K	92.1	Very high	93.7	Very high	52 Å²	52	63.4 Å²	63.4	23%	0.226	31%	0.31	C	S	.	.			trans	-96.6	118.7	-175.7	-69.8	173.6	177.4	171.8	0	111.3	D305 V307 D309 S315 D316	D305-K313 VanDerWaalsContact C-NZ 3.28Å; D305-K313 VanDerWaalsContact O-CE 3.23Å; D305-K313 WeakPolarHBondContact O-CE 3.4Å; D305-K313 PolarHBondContact O-NZ 3.23Å; V307-K313 WeakPolarHBondContact O-CE 3.4Å; V307-K313 PolarHBondContact O-NZ 3.07Å; D309-K313 PolarHBondContact O-N 3Å; K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 PolarHBondContact O-N 2.8Å; K313-D316 HydrophobicContact CB-CB 4.13Å; K313-D316 WeakPolarHBondContact CB-OD2 3.18Å; K313-D316 WeakPolarHBondContact CD-OD2 3.28Å; K313-D316 WeakPolarHBondContact O-CB 3.46Å; K313-D316 PolarHBondContact O-N 2.88Å
314	I	93.6	Very high	94.1	Very high	114 Å²	114	62.9 Å²	62.9	59%	0.585	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-37.6	-179	-64.9	166.2	0	0	0	111.4	D316 R317 F318	I314-D316 VanDerWaalsContact C-N 3.25Å; I314-D316 PolarHBondContact O-N 3.28Å; I314-R317 WeakPolarHBondContact O-CB 3.18Å; I314-R317 PolarHBondContact O-N 2.81Å; I314-F318 HydrophobicContact CG2-CE2 4Å; I314-F318 WeakPolarHBondContact O-CD2 3.22Å; I314-F318 WeakPolarHBondContact O-CE2 3.42Å
315	S	93.5	Very high	94.5	Very high	75 Å²	75	60.1 Å²	60.1	52%	0.524	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-58.2	-38.3	178.1	53.5	0	0	0	0	112.6	K313 R317 F318	K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 PolarHBondContact O-N 2.8Å; S315-R317 PolarHBondContact O-N 3.34Å; S315-F318 PolarHBondContact O-N 2.78Å
316	D	95.3	Very high	94.9	Very high	14 Å²	14	54.2 Å²	54.2	8%	0.075	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67.5	-22.9	-175.6	-72.3	-8.4	0	0	0	112.6	W308 D309 P310 K313 I314 F318 H319	W308-D316 WeakPolarHBondContact CA-OD2 3.26Å; W308-D316 VanDerWaalsContact CD1-OD2 3.22Å; W308-D316 VanDerWaalsContact NE1-CB 3.31Å; W308-D316 VanDerWaalsContact NE1-CG 3.34Å; D309-D316 PolarHBondContact N-OD2 2.62Å; P310-D316 HydrophobicContact CB-CB 4.23Å; K313-D316 HydrophobicContact CB-CB 4.13Å; K313-D316 WeakPolarHBondContact CB-OD2 3.18Å; K313-D316 WeakPolarHBondContact CD-OD2 3.28Å; K313-D316 WeakPolarHBondContact O-CB 3.46Å; K313-D316 PolarHBondContact O-N 2.88Å; I314-D316 VanDerWaalsContact C-N 3.25Å; I314-D316 PolarHBondContact O-N 3.28Å; D316-F318 PolarHBondContact O-N 2.98Å; D316-H319 PolarHBondContact O-N 3.14Å; D316-H319 IonicContact OD1-CE1 2.74Å; D316-H319 PolarHBondContact OD1-CE1 3.04Å; D316-H319 VanDerWaalsContact OD1-CE1 3.26Å; D316-H319 IonicContact OD1-ND1 3.07Å
317	R	95.2	Very high	95.1	Very high	147 Å²	147	52 Å²	52	56%	0.555	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.5	177.6	-60.3	-178.6	-176.8	-178.2	2.9	113.3	P310 R311 I314 S315	P310-R317 HydrophobicContact CB-CG 4.09Å; P310-R317 WeakPolarHBondContact O-CG 3.27Å; P310-R317 PolarHBondContact O-NE 3.19Å; R311-R317 PolarHBondContact O-NH2 2.66Å; R311-R317 VanDerWaalsContact O-NH2 3.11Å; I314-R317 WeakPolarHBondContact O-CB 3.18Å; I314-R317 PolarHBondContact O-N 2.81Å; S315-R317 PolarHBondContact O-N 3.34Å
318	F	94.8	Very high	95.1	Very high	154 Å²	154	51.1 Å²	51.1	68%	0.675	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-95.3	-0.1	-177.7	-59.6	-78	0	0	0	113.2	I314 S315 D316 L320	I314-F318 HydrophobicContact CG2-CE2 4Å; I314-F318 WeakPolarHBondContact O-CD2 3.22Å; I314-F318 WeakPolarHBondContact O-CE2 3.42Å; S315-F318 PolarHBondContact O-N 2.78Å; D316-F318 PolarHBondContact O-N 2.98Å; F318-L320 PolarHBondContact O-N 2.92Å
319	H	97.2	Very high	95.1	Very high	33 Å²	33	49.5 Å²	49.5	15%	0.153	24%	0.24	C	C	.	.			trans	-70.1	128.3	177.7	-66.8	164.1	0	0	0	111.6	P285 W308 D316 P322 N332	P285-H319 WeakPolarHBondContact CB-O 3.44Å; W308-H319 AromaticContact CD1-CE1 3.78Å; W308-H319 AromaticContact CD1-ND1 3.56Å; W308-H319 AromaticContact NE1-CE1 3.59Å; W308-H319 AromaticContact NE1-ND1 2.95Å; W308-H319 PolarHBondContact NE1-ND1 2.73Å; D316-H319 PolarHBondContact O-N 3.14Å; D316-H319 IonicContact OD1-CE1 2.74Å; D316-H319 PolarHBondContact OD1-CE1 3.04Å; D316-H319 VanDerWaalsContact OD1-CE1 3.26Å; D316-H319 IonicContact OD1-ND1 3.07Å; H319-P322 HydrophobicContact CB-CG 4Å; H319-N332 VanDerWaalsContact CG-ND2 3.3Å; H319-N332 PolarHBondContact ND1-ND2 3.06Å
320	L	97.2	Very high	95.1	Very high	39 Å²	39	49.2 Å²	49.2	20%	0.204	24%	0.238	C	C	.	.	S	Bend	trans	-87.9	-32.9	-168.2	-62.7	173.8	0	0	0	114.4	F318 V337 T338	F318-L320 PolarHBondContact O-N 2.92Å; L320-V337 HydrophobicContact CB-CG1 4.4Å; L320-T338 WeakPolarHBondContact CD1-O 3.35Å
321	M	98	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-134.9	65.8	179.4	-61.5	-178.4	86.3	0	0	111.3	W284 I323 T334 V337 R342 I345	W284-M321 HydrophobicContact CD2-CB 4.18Å; W284-M321 HydrophobicContact CD2-CE 4.14Å; W284-M321 HydrophobicContact CD2-CG 4.05Å; W284-M321 VanDerWaalsContact CE2-CE 3.44Å; W284-M321 VanDerWaalsContact CE3-CA 3.44Å; W284-M321 HydrophobicContact CE3-CB 3.87Å; W284-M321 HydrophobicContact CE3-CG 4.24Å; W284-M321 HydrophobicContact CG-CG 4.38Å; W284-M321 HydrophobicContact CH2-CB 4.23Å; W284-M321 HydrophobicContact CH2-CE 4.26Å; W284-M321 HydrophobicContact CZ2-CE 3.53Å; W284-M321 HydrophobicContact CZ3-CB 3.89Å; M321-I323 PolarHBondContact O-N 2.76Å; M321-T334 WeakPolarHBondContact O-CB 3.49Å; M321-T334 PolarHBondContact O-OG1 3.44Å; M321-V337 HydrophobicContact CB-CG1 4.38Å; M321-V337 HydrophobicContact CG-CG1 4.02Å; M321-V337 HydrophobicContact SD-CG1 3.89Å; M321-R342 HydrophobicContact CG-CB 4.23Å; M321-R342 HydrophobicContact CG-CG 3.78Å; M321-R342 HydrophobicContact SD-CB 3.9Å; M321-R342 HydrophobicContact SD-CG 3.65Å; M321-I345 HydrophobicContact CE-CG2 4.06Å; M321-I345 HydrophobicContact SD-CD1 4.08Å
322	P	98.3	Very high	95.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.013	21%	0.211	C	C	.	.			trans	-65.3	121.3	-171.8	-18.2	31.6	0	0	0	112.6	P285 P287 V288 W308 H319 I324 N332	P285-P322 HydrophobicContact CB-CG 4.42Å; P285-P322 VanDerWaalsContact O-CD 3.27Å; P285-P322 WeakPolarHBondContact O-CD 3.47Å; P285-P322 WeakPolarHBondContact O-CG 3.34Å; P287-P322 WeakPolarHBondContact CA-O 3.47Å; P287-P322 HydrophobicContact CB-CB 4.07Å; V288-P322 PolarHBondContact N-O 3.39Å; W308-P322 HydrophobicContact CH2-CB 4Å; W308-P322 HydrophobicContact CH2-CG 4.34Å; W308-P322 HydrophobicContact CZ2-CB 3.79Å; W308-P322 HydrophobicContact CZ2-CG 3.97Å; H319-P322 HydrophobicContact CB-CG 4Å; P322-I324 HydrophobicContact CB-CD1 3.95Å; P322-N332 WeakPolarHBondContact CA-OD1 3.31Å
323	I	98.6	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-123.1	110.7	173.9	-55.4	171.8	0	0	0	106.8	L247 M254 L255 W284 V288 M321 N332 S333 T334	L247-I323 HydrophobicContact CD2-CD1 3.84Å; L247-I323 HydrophobicContact CG-CD1 4.27Å; M254-I323 HydrophobicContact CB-CG2 3.85Å; M254-I323 HydrophobicContact CE-CB 4.5Å; M254-I323 HydrophobicContact CE-CG2 3.65Å; M254-I323 HydrophobicContact SD-CG2 4.26Å; L255-I323 HydrophobicContact CD1-CD1 3.79Å; L255-I323 HydrophobicContact CD2-CD1 3.65Å; L255-I323 HydrophobicContact CD2-CG1 4.05Å; L255-I323 HydrophobicContact CD2-CG2 4.39Å; L255-I323 HydrophobicContact CG-CD1 3.75Å; W284-I323 HydrophobicContact CH2-CG1 4.17Å; W284-I323 HydrophobicContact CZ3-CG1 4.49Å; V288-I323 HydrophobicContact CB-CG1 4.46Å; V288-I323 HydrophobicContact CB-CG2 4.41Å; M321-I323 PolarHBondContact O-N 2.76Å; I323-N332 PolarHBondContact N-OD1 2.92Å; I323-N332 PolarHBondContact O-OD1 3.11Å; I323-S333 PolarHBondContact O-N 3.07Å; I323-S333 PolarHBondContact O-OG 3.22Å; I323-T334 HydrophobicContact CB-CG2 4.4Å; I323-T334 HydrophobicContact CD1-CG2 3.71Å; I323-T334 HydrophobicContact CG1-CG2 4.22Å; I323-T334 PolarHBondContact N-OG1 3.33Å
324	I	98	Very high	96	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.041	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-99.6	128.6	-163.2	-49.8	-52.1	0	0	0	110.5	M254 P287 V288 L289 W308 P322 Q330 Q331 N332	M254-I324 VanDerWaalsContact SD-O 3.36Å; P287-I324 HydrophobicContact CB-CG1 4.01Å; V288-I324 PolarHBondContact O-N 3.41Å; L289-I324 HydrophobicContact CD2-CB 3.63Å; L289-I324 HydrophobicContact CD2-CG1 3.62Å; L289-I324 HydrophobicContact CD2-CG2 4.17Å; W308-I324 HydrophobicContact CD2-CD1 3.5Å; W308-I324 VanDerWaalsContact CD2-CD1 3.5Å; W308-I324 HydrophobicContact CD2-CG1 4.48Å; W308-I324 HydrophobicContact CE3-CD1 3.35Å; W308-I324 HydrophobicContact CE3-CG1 3.87Å; W308-I324 HydrophobicContact CG-CD1 4.07Å; W308-I324 HydrophobicContact CH2-CD1 4.2Å; W308-I324 HydrophobicContact CZ2-CD1 4.35Å; W308-I324 HydrophobicContact CZ3-CD1 3.73Å; W308-I324 HydrophobicContact CZ3-CG1 4Å; P322-I324 HydrophobicContact CB-CD1 3.95Å; I324-Q330 HydrophobicContact CG2-CB 3.65Å; I324-Q330 HydrophobicContact CG2-CG 4.33Å; I324-Q331 CarbonylContact C-O 3.44Å; I324-Q331 WeakPolarHBondContact CA-O 3.09Å; I324-N332 HydrophobicContact CD1-CB 3.82Å
325	T	97.4	Very high	96.1	Very high	12 Å²	12	34.9 Å²	34.9	7%	0.074	17%	0.167	C	C	.	.			trans	-60.6	137.1	176.2	60.7	0	0	0	0	110.8	V209 M254 Q330 Q331	V209-T325 HydrophobicContact CG1-CG2 4.33Å; V209-T325 HydrophobicContact CG2-CG2 4.2Å; M254-T325 HydrophobicContact CE-CG2 4.13Å; M254-T325 VanDerWaalsContact SD-CA 3.57Å; M254-T325 HydrophobicContact SD-CG2 4.34Å; T325-Q330 WeakPolarHBondContact O-CB 3.28Å; T325-Q330 WeakPolarHBondContact O-CG 3.35Å; T325-Q331 PolarHBondContact N-O 3.36Å; T325-Q331 PolarHBondContact OG1-N 3.11Å; T325-Q331 PolarHBondContact OG1-O 3.48Å
326	P	96.4	Very high	96.1	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.026	15%	0.147	C	C	.	.	S	Bend	trans	-76.6	-24.5	-173.8	30.9	-38	0	0	0	113.7	E212 I213 L216 L290 K291	E212-P326 HydrophobicContact CB-CB 4.36Å; E212-P326 HydrophobicContact CB-CG 3.89Å; E212-P326 HydrophobicContact CG-CB 3.63Å; E212-P326 HydrophobicContact CG-CG 3.72Å; I213-P326 HydrophobicContact CG1-CG 4.11Å; L216-P326 HydrophobicContact CD1-CB 3.81Å; L216-P326 HydrophobicContact CD1-CG 4.41Å; L290-P326 HydrophobicContact CB-CB 4.35Å; L290-P326 HydrophobicContact CD1-CB 4.48Å; L290-P326 HydrophobicContact CD1-CG 4.24Å; K291-P326 WeakPolarHBondContact CE-O 3.42Å; K291-P326 HydrophobicContact CG-CB 4.26Å
327	A	94.7	Very high	96.2	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	-81.2	145.2	178.2	0	0	0	0	0	112.1	R208 V209 P329 Q330	R208-A327 HydrophobicContact CB-CB 3.95Å; V209-A327 HydrophobicContact CG2-CB 3.89Å; A327-P329 CarbonylContact O-C 3.5Å; A327-P329 VanDerWaalsContact O-C 3.27Å; A327-Q330 WeakPolarHBondContact O-CA 3.49Å; A327-Q330 PolarHBondContact O-N 3.18Å
328	F	93.3	Very high	96.2	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.022	12%	0.124	C	C	.	.	S	Bend	trans	-78.5	141.4	173.4	173	-87.3	0	0	0	111	D190 L193 R208 T296 F300 L303 M304 V307	D190-F328 HydrophobicContact CB-CD1 4.48Å; D190-F328 WeakPolarHBondContact OD1-CB 3.31Å; L193-F328 HydrophobicContact CD1-CD1 4.05Å; L193-F328 HydrophobicContact CD1-CE1 4.34Å; R208-F328 PolarHBondContact NH1-O 3.17Å; T296-F328 HydrophobicContact CG2-CD2 4.42Å; T296-F328 HydrophobicContact CG2-CE2 3.76Å; T296-F328 HydrophobicContact CG2-CZ 3.89Å; F300-F328 HydrophobicContact CB-CE1 4.33Å; F300-F328 HydrophobicContact CB-CZ 4Å; F300-F328 HydrophobicContact CD1-CD1 4.37Å; F300-F328 AromaticContact CD1-CE1 3.55Å; F300-F328 HydrophobicContact CD1-CE1 3.55Å; F300-F328 HydrophobicContact CD1-CZ 4.1Å; F300-F328 HydrophobicContact CE1-CE1 4.17Å; F300-F328 HydrophobicContact CG-CE1 4.17Å; F300-F328 HydrophobicContact CG-CZ 4.29Å; L303-F328 HydrophobicContact CB-CE1 3.97Å; L303-F328 HydrophobicContact CB-CZ 3.83Å; L303-F328 HydrophobicContact CD1-CE1 4.09Å; M304-F328 HydrophobicContact CE-CE2 3.65Å; M304-F328 HydrophobicContact CE-CZ 3.82Å; V307-F328 HydrophobicContact CG2-CD2 4.05Å; V307-F328 HydrophobicContact CG2-CE2 3.49Å; V307-F328 VanDerWaalsContact CG2-CE2 3.49Å; V307-F328 HydrophobicContact CG2-CZ 4.23Å
329	P	93.2	Very high	96.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	11%	0.112	C	C	.	.	S	Bend	cis	-70.4	129.4	-7.6	29.3	-33.9	0	0	0	111	L306 V307 A327	L306-P329 HydrophobicContact CB-CB 3.78Å; L306-P329 HydrophobicContact CB-CG 3.75Å; L306-P329 HydrophobicContact CD1-CG 4.11Å; V307-P329 HydrophobicContact CG2-CB 3.73Å; A327-P329 CarbonylContact O-C 3.5Å; A327-P329 VanDerWaalsContact O-C 3.27Å
330	Q	94.4	Very high	96.2	Very high	22 Å²	22	20.3 Å²	20.3	10%	0.103	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-70.7	133.1	-177.7	-68.4	81	7.9	0	0	110.5	V307 W308 I324 T325 A327	V307-Q330 CarbonylContact C-O 3.49Å; V307-Q330 WeakPolarHBondContact CA-O 3.47Å; W308-Q330 PolarHBondContact N-O 3.35Å; I324-Q330 HydrophobicContact CG2-CB 3.65Å; I324-Q330 HydrophobicContact CG2-CG 4.33Å; T325-Q330 WeakPolarHBondContact O-CB 3.28Å; T325-Q330 WeakPolarHBondContact O-CG 3.35Å; A327-Q330 WeakPolarHBondContact O-CA 3.49Å; A327-Q330 PolarHBondContact O-N 3.18Å
331	Q	95.1	Very high	96.2	Very high	83 Å²	83	18.4 Å²	18.4	39%	0.388	10%	0.097	S	C	.	.			trans	-127.3	150.3	-178.7	-61.9	-171.5	-51.9	0	0	110.5	I324 T325 S333	I324-Q331 CarbonylContact C-O 3.44Å; I324-Q331 WeakPolarHBondContact CA-O 3.09Å; T325-Q331 PolarHBondContact N-O 3.36Å; T325-Q331 PolarHBondContact OG1-N 3.11Å; T325-Q331 PolarHBondContact OG1-O 3.48Å; Q331-S333 PolarHBondContact O-N 3.29Å
332	N	97.3	Very high	96.1	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.043	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-75	116.9	168.5	179.7	20.4	0	0	0	109.6	W308 H319 P322 I323 I324 T334 F335	W308-N332 HydrophobicContact CD2-CB 4.39Å; W308-N332 HydrophobicContact CG-CB 3.93Å; H319-N332 VanDerWaalsContact CG-ND2 3.3Å; H319-N332 PolarHBondContact ND1-ND2 3.06Å; P322-N332 WeakPolarHBondContact CA-OD1 3.31Å; I323-N332 PolarHBondContact N-OD1 2.92Å; I323-N332 PolarHBondContact O-OD1 3.11Å; I324-N332 HydrophobicContact CD1-CB 3.82Å; N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.47Å; N332-T334 PolarHBondContact OD1-N 3.39Å; N332-T334 VanDerWaalsContact OD1-N 3.16Å; N332-T334 PolarHBondContact OD1-OG1 2.96Å; N332-F335 PolarHBondContact ND2-N 3.24Å; N332-F335 VanDerWaalsContact O-CD1 3.28Å; N332-F335 WeakPolarHBondContact O-CD1 3.39Å
333	S	97.3	Very high	96.1	Very high	13 Å²	13	23.3 Å²	23.3	9%	0.091	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.3	-179.9	73.8	0	0	0	0	114.2	N242 S251 M254 I323 Q331	N242-S333 PolarHBondContact OD1-O 3.42Å; S251-S333 WeakPolarHBondContact OG-CB 3.07Å; S251-S333 PolarHBondContact OG-O 3.46Å; S251-S333 PolarHBondContact OG-OG 2.97Å; M254-S333 WeakPolarHBondContact CE-OG 3.38Å; I323-S333 PolarHBondContact O-N 3.07Å; I323-S333 PolarHBondContact O-OG 3.22Å; Q331-S333 PolarHBondContact O-N 3.29Å
334	T	97.4	Very high	96.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	29.1	-176.3	42.9	0	0	0	0	112.4	L247 S251 M321 I323 N332 N336 V337	L247-T334 HydrophobicContact CD1-CG2 4.05Å; L247-T334 HydrophobicContact CG-CG2 3.75Å; S251-T334 WeakPolarHBondContact OG-CG2 3.41Å; M321-T334 WeakPolarHBondContact O-CB 3.49Å; M321-T334 PolarHBondContact O-OG1 3.44Å; I323-T334 HydrophobicContact CB-CG2 4.4Å; I323-T334 HydrophobicContact CD1-CG2 3.71Å; I323-T334 HydrophobicContact CG1-CG2 4.22Å; I323-T334 PolarHBondContact N-OG1 3.33Å; N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.47Å; N332-T334 PolarHBondContact OD1-N 3.39Å; N332-T334 VanDerWaalsContact OD1-N 3.16Å; N332-T334 PolarHBondContact OD1-OG1 2.96Å; T334-N336 PolarHBondContact O-N 3.35Å; T334-N336 VanDerWaalsContact O-N 3.11Å; T334-V337 HydrophobicContact CG2-CG2 4.24Å; T334-V337 WeakPolarHBondContact O-CB 2.8Å; T334-V337 WeakPolarHBondContact O-CG2 3.41Å; T334-V337 PolarHBondContact O-N 2.88Å; T334-V337 VanDerWaalsContact O-N 3.09Å
335	F	94.7	Very high	96.1	Very high	105 Å²	105	23.2 Å²	23.2	46%	0.461	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.9	178.4	66.4	-86.2	0	0	0	114.1	N332	N332-F335 PolarHBondContact ND2-N 3.24Å; N332-F335 VanDerWaalsContact O-CD1 3.28Å; N332-F335 WeakPolarHBondContact O-CD1 3.39Å
336	N	95.1	Very high	96.1	Very high	18 Å²	18	25.3 Å²	25.3	10%	0.096	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.6	177.5	-71.8	-32.6	0	0	0	114.4	N242 G245 T334 T338 R407	N242-N336 PolarHBondContact ND2-ND2 3.2Å; N242-N336 WeakPolarHBondContact O-CB 3.38Å; N242-N336 PolarHBondContact O-ND2 3.35Å; G245-N336 VanDerWaalsContact CA-O 3.26Å; G245-N336 WeakPolarHBondContact CA-O 3.46Å; T334-N336 PolarHBondContact O-N 3.35Å; T334-N336 VanDerWaalsContact O-N 3.11Å; N336-T338 PolarHBondContact O-N 2.93Å; N336-R407 VanDerWaalsContact CG-CD 3.49Å; N336-R407 WeakPolarHBondContact OD1-CD 3.28Å; N336-R407 PolarHBondContact OD1-NE 3.24Å
337	V	97	Very high	96.2	Very high	13 Å²	13	29 Å²	29	8%	0.079	15%	0.145	C	C	.	.			trans	-64.8	130.4	179.7	172.8	0	0	0	0	110.2	G245 L247 L320 M321 T334 R342	G245-V337 WeakPolarHBondContact O-CA 3.13Å; L247-V337 HydrophobicContact CD1-CG2 4.22Å; L320-V337 HydrophobicContact CB-CG1 4.4Å; M321-V337 HydrophobicContact CB-CG1 4.38Å; M321-V337 HydrophobicContact CG-CG1 4.02Å; M321-V337 HydrophobicContact SD-CG1 3.89Å; T334-V337 HydrophobicContact CG2-CG2 4.24Å; T334-V337 WeakPolarHBondContact O-CB 2.8Å; T334-V337 WeakPolarHBondContact O-CG2 3.41Å; T334-V337 PolarHBondContact O-N 2.88Å; T334-V337 VanDerWaalsContact O-N 3.09Å; V337-R342 HydrophobicContact CG1-CB 3.91Å
338	T	95.4	Very high	96.4	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.086	15%	0.148	C	C	.	.			trans	-102.9	173.1	178.7	65.6	0	0	0	0	110.5	L320 N336 S340 T341 R342 V410 E414	L320-T338 WeakPolarHBondContact CD1-O 3.35Å; N336-T338 PolarHBondContact O-N 2.93Å; T338-S340 VanDerWaalsContact C-N 3.32Å; T338-S340 PolarHBondContact O-N 3.44Å; T338-T341 PolarHBondContact N-OG1 3.15Å; T338-T341 PolarHBondContact O-OG1 2.93Å; T338-T341 WeakPolarHBondContact OG1-CG2 3.16Å; T338-T341 PolarHBondContact OG1-N 3.27Å; T338-T341 PolarHBondContact OG1-OG1 3.03Å; T338-R342 WeakPolarHBondContact O-CB 3.43Å; T338-R342 PolarHBondContact O-N 3.49Å; T338-V410 HydrophobicContact CG2-CG1 3.92Å; T338-E414 WeakPolarHBondContact CB-OE1 3.27Å; T338-E414 PolarHBondContact OG1-OE1 2.99Å
339	T	95.6	Very high	96.6	Very high	68 Å²	68	29.1 Å²	29.1	42%	0.417	15%	0.147	S	C	.	.	H	α-helix	trans	-62.9	-44	-179.8	-55.4	0	0	0	0	110.6	R342 T343 E414	T339-R342 PolarHBondContact O-N 3.27Å; T339-T343 PolarHBondContact O-N 2.86Å; T339-T343 PolarHBondContact O-OG1 2.96Å; T339-T343 VanDerWaalsContact O-OG1 3.12Å; T339-E414 PolarHBondContact N-OE1 3.13Å; T339-E414 VanDerWaalsContact N-OE1 3.08Å
340	S	96.2	Very high	96.9	Very high	4 Å²	4	32 Å²	32	3%	0.028	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-46.5	-178.7	-54.9	0	0	0	0	111.1	T338 R342 T343 I344 E414 I422	T338-S340 VanDerWaalsContact C-N 3.32Å; T338-S340 PolarHBondContact O-N 3.44Å; S340-R342 VanDerWaalsContact C-N 3.33Å; S340-R342 PolarHBondContact O-N 3.05Å; S340-T343 PolarHBondContact O-N 3.32Å; S340-I344 WeakPolarHBondContact O-CD1 3.37Å; S340-I344 VanDerWaalsContact O-CG1 3.24Å; S340-I344 WeakPolarHBondContact O-CG1 3.48Å; S340-I344 PolarHBondContact O-N 2.85Å; S340-E414 WeakPolarHBondContact CA-OE1 3.23Å; S340-E414 WeakPolarHBondContact CB-OE1 3.49Å; S340-E414 PolarHBondContact N-OE1 2.96Å; S340-E414 WeakPolarHBondContact OG-CG 3.44Å; S340-E414 PolarHBondContact OG-OE1 3.27Å; S340-I422 WeakPolarHBondContact CB-O 3.48Å; S340-I422 VanDerWaalsContact OG-CG2 3.31Å; S340-I422 WeakPolarHBondContact OG-CG2 3.38Å; S340-I422 PolarHBondContact OG-N 3.36Å
341	T	96.7	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-37.4	178.5	58.8	0	0	0	0	111.6	G245 Y246 T338 I344 I345	G245-T341 WeakPolarHBondContact O-CB 3.46Å; G245-T341 PolarHBondContact O-OG1 2.9Å; Y246-T341 HydrophobicContact CD1-CG2 4.06Å; Y246-T341 HydrophobicContact CE1-CG2 3.68Å; Y246-T341 HydrophobicContact CE2-CG2 4.31Å; T338-T341 PolarHBondContact N-OG1 3.15Å; T338-T341 PolarHBondContact O-OG1 2.93Å; T338-T341 WeakPolarHBondContact OG1-CG2 3.16Å; T338-T341 PolarHBondContact OG1-N 3.27Å; T338-T341 PolarHBondContact OG1-OG1 3.03Å; T341-I344 PolarHBondContact O-N 2.94Å; T341-I345 WeakPolarHBondContact O-CB 3.33Å; T341-I345 VanDerWaalsContact O-CD1 3.26Å; T341-I345 WeakPolarHBondContact O-CD1 3.16Å; T341-I345 WeakPolarHBondContact O-CG1 3.26Å; T341-I345 PolarHBondContact O-N 2.75Å
342	R	97.1	Very high	97.2	Very high	61 Å²	61	31.3 Å²	31.3	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-51.3	169.8	176.2	-176.5	69.6	169.7	6.2	111.4	M321 V337 T338 T339 S340 I344 I345 E346	M321-R342 HydrophobicContact CG-CB 4.23Å; M321-R342 HydrophobicContact CG-CG 3.78Å; M321-R342 HydrophobicContact SD-CB 3.9Å; M321-R342 HydrophobicContact SD-CG 3.65Å; V337-R342 HydrophobicContact CG1-CB 3.91Å; T338-R342 WeakPolarHBondContact O-CB 3.43Å; T338-R342 PolarHBondContact O-N 3.49Å; T339-R342 PolarHBondContact O-N 3.27Å; S340-R342 VanDerWaalsContact C-N 3.33Å; S340-R342 PolarHBondContact O-N 3.05Å; R342-I344 VanDerWaalsContact C-N 3.29Å; R342-I344 PolarHBondContact O-N 3.09Å; R342-I345 PolarHBondContact O-N 3Å; R342-I345 VanDerWaalsContact O-N 3.15Å; R342-E346 HydrophobicContact CG-CG 4.29Å; R342-E346 WeakPolarHBondContact O-CG 3.49Å; R342-E346 PolarHBondContact O-N 3.26Å
343	T	97.3	Very high	97.2	Very high	43 Å²	43	31.5 Å²	31.5	26%	0.264	16%	0.16	S	C	.	.	H	α-helix	trans	-57.3	-43.4	179.5	-64.1	0	0	0	0	111.5	T339 S340 I345 E346 E347 L421	T339-T343 PolarHBondContact O-N 2.86Å; T339-T343 PolarHBondContact O-OG1 2.96Å; T339-T343 VanDerWaalsContact O-OG1 3.12Å; S340-T343 PolarHBondContact O-N 3.32Å; T343-I345 PolarHBondContact O-N 3.32Å; T343-E346 PolarHBondContact O-N 3.43Å; T343-E347 HydrophobicContact CG2-CG 4.49Å; T343-E347 WeakPolarHBondContact O-CB 3.37Å; T343-E347 WeakPolarHBondContact O-CG 3.24Å; T343-E347 PolarHBondContact O-N 3.35Å; T343-L421 HydrophobicContact CG2-CD1 4.04Å
344	I	97.9	Very high	97.3	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-41.4	177.7	-66.1	157.1	0	0	0	111.5	I239 Y246 S340 T341 R342 A348 L421 H423	I239-I344 HydrophobicContact CG2-CG2 3.78Å; Y246-I344 HydrophobicContact CE1-CB 4.38Å; Y246-I344 HydrophobicContact CE1-CG2 4.11Å; S340-I344 WeakPolarHBondContact O-CD1 3.37Å; S340-I344 VanDerWaalsContact O-CG1 3.24Å; S340-I344 WeakPolarHBondContact O-CG1 3.48Å; S340-I344 PolarHBondContact O-N 2.85Å; T341-I344 PolarHBondContact O-N 2.94Å; R342-I344 VanDerWaalsContact C-N 3.29Å; R342-I344 PolarHBondContact O-N 3.09Å; I344-A348 WeakPolarHBondContact O-CB 3.43Å; I344-A348 PolarHBondContact O-N 3.18Å; I344-L421 HydrophobicContact CD1-CD1 4.45Å; I344-L421 HydrophobicContact CG1-CD1 4.27Å; I344-L421 HydrophobicContact CG1-CD2 4.19Å; I344-H423 HydrophobicContact CD1-CB 3.62Å; I344-H423 VanDerWaalsContact CD1-CG 3.45Å
345	I	98.4	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-47.9	176.1	-68.4	156.4	0	0	0	110.3	Y246 L247 M321 T341 R342 T343 A348 M349	Y246-I345 HydrophobicContact CD1-CD1 4.12Å; Y246-I345 HydrophobicContact CD1-CG1 4.02Å; L247-I345 HydrophobicContact CD1-CD1 3.44Å; L247-I345 VanDerWaalsContact CD1-CD1 3.44Å; L247-I345 HydrophobicContact CD1-CG1 4.43Å; M321-I345 HydrophobicContact CE-CG2 4.06Å; M321-I345 HydrophobicContact SD-CD1 4.08Å; T341-I345 WeakPolarHBondContact O-CB 3.33Å; T341-I345 VanDerWaalsContact O-CD1 3.26Å; T341-I345 WeakPolarHBondContact O-CD1 3.16Å; T341-I345 WeakPolarHBondContact O-CG1 3.26Å; T341-I345 PolarHBondContact O-N 2.75Å; R342-I345 PolarHBondContact O-N 3Å; R342-I345 VanDerWaalsContact O-N 3.15Å; T343-I345 PolarHBondContact O-N 3.32Å; I345-A348 PolarHBondContact O-N 2.97Å; I345-M349 HydrophobicContact CG2-CE 3.66Å; I345-M349 HydrophobicContact CG2-CG 4.37Å; I345-M349 HydrophobicContact CG2-SD 4.07Å; I345-M349 WeakPolarHBondContact O-CB 3.26Å; I345-M349 WeakPolarHBondContact O-CG 3.46Å; I345-M349 PolarHBondContact O-N 3.28Å
346	E	98.2	Very high	97.5	Very high	57 Å²	57	31.2 Å²	31.2	27%	0.266	16%	0.163	S	C	.	.	H	α-helix	trans	-62.9	-43.7	179.6	-72.9	177.4	174.3	0	0	111.6	W284 R342 T343 M349 N350	W284-E346 VanDerWaalsContact CD1-OE1 3.32Å; R342-E346 HydrophobicContact CG-CG 4.29Å; R342-E346 WeakPolarHBondContact O-CG 3.49Å; R342-E346 PolarHBondContact O-N 3.26Å; T343-E346 PolarHBondContact O-N 3.43Å; E346-M349 PolarHBondContact O-N 2.88Å; E346-N350 PolarHBondContact O-N 3.18Å; E346-N350 PolarHBondContact O-ND2 2.89Å
347	E	97.8	Very high	97.6	Very high	81 Å²	81	33.2 Å²	33.2	38%	0.379	17%	0.173	S	C	.	.	H	α-helix	trans	-58.6	-47.8	174.1	-77.1	177.5	-174.1	0	0	111.8	T343 M349 N350 E351 K378	T343-E347 HydrophobicContact CG2-CG 4.49Å; T343-E347 WeakPolarHBondContact O-CB 3.37Å; T343-E347 WeakPolarHBondContact O-CG 3.24Å; T343-E347 PolarHBondContact O-N 3.35Å; E347-M349 PolarHBondContact O-N 2.76Å; E347-N350 PolarHBondContact O-N 2.93Å; E347-E351 PolarHBondContact O-N 3.02Å; E347-K378 IonicContact OE2-NZ 2.74Å; E347-K378 PolarHBondContact OE2-NZ 2.85Å
348	A	98.2	Very high	97.6	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-39.5	179.2	0	0	0	0	0	112.1	W233 I239 I344 I345 E351 A352	W233-A348 HydrophobicContact CZ2-CB 4.04Å; I239-A348 HydrophobicContact CD1-CB 3.88Å; I344-A348 WeakPolarHBondContact O-CB 3.43Å; I344-A348 PolarHBondContact O-N 3.18Å; I345-A348 PolarHBondContact O-N 2.97Å; A348-E351 PolarHBondContact O-N 3.16Å; A348-A352 VanDerWaalsContact O-CB 3.32Å; A348-A352 WeakPolarHBondContact O-CB 3.38Å; A348-A352 PolarHBondContact O-N 3.42Å
349	M	98.5	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-38.9	175.8	-75.3	-176.6	177.7	0	0	112.1	W233 W252 F275 F276 F279 I345 E346 E347 A352 L353	W233-M349 HydrophobicContact CH2-CG 3.82Å; W233-M349 HydrophobicContact CZ2-CG 4.48Å; W252-M349 HydrophobicContact CH2-CE 4.13Å; W252-M349 HydrophobicContact CZ3-CE 3.78Å; F275-M349 HydrophobicContact CE1-CE 4.31Å; F275-M349 HydrophobicContact CZ-CE 4.38Å; F276-M349 HydrophobicContact CD1-CB 4.42Å; F276-M349 HydrophobicContact CD1-CG 4.35Å; F279-M349 HydrophobicContact CB-CE 4.11Å; F279-M349 HydrophobicContact CB-SD 3.65Å; I345-M349 HydrophobicContact CG2-CE 3.66Å; I345-M349 HydrophobicContact CG2-CG 4.37Å; I345-M349 HydrophobicContact CG2-SD 4.07Å; I345-M349 WeakPolarHBondContact O-CB 3.26Å; I345-M349 WeakPolarHBondContact O-CG 3.46Å; I345-M349 PolarHBondContact O-N 3.28Å; E346-M349 PolarHBondContact O-N 2.88Å; E347-M349 PolarHBondContact O-N 2.76Å; M349-A352 PolarHBondContact O-N 3.27Å; M349-L353 WeakPolarHBondContact O-CB 3.24Å; M349-L353 PolarHBondContact O-N 2.91Å
350	N	98.2	Very high	97.6	Very high	63 Å²	63	33 Å²	33	34%	0.337	17%	0.168	S	C	.	.	H	α-helix	trans	-63.2	-46.6	175.1	-84.1	-81	0	0	0	111.7	T280 E346 E347 A352 L353 D354	T280-N350 WeakPolarHBondContact CG2-OD1 3.29Å; E346-N350 PolarHBondContact O-N 3.18Å; E346-N350 PolarHBondContact O-ND2 2.89Å; E347-N350 PolarHBondContact O-N 2.93Å; N350-A352 VanDerWaalsContact C-N 3.32Å; N350-A352 PolarHBondContact O-N 3.35Å; N350-L353 WeakPolarHBondContact O-CB 3.31Å; N350-L353 PolarHBondContact O-N 2.83Å; N350-D354 PolarHBondContact O-N 3.27Å
351	E	97.9	Very high	97.5	Very high	87 Å²	87	36 Å²	36	41%	0.407	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-44.8	175.8	-175.6	-168.7	142.4	0	0	111.1	K237 E347 A348 L353 D354 V355	K237-E351 IonicContact NZ-OE1 2.66Å; K237-E351 PolarHBondContact NZ-OE1 2.66Å; E347-E351 PolarHBondContact O-N 3.02Å; A348-E351 PolarHBondContact O-N 3.16Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 3.24Å; E351-D354 PolarHBondContact O-N 3.39Å; E351-V355 WeakPolarHBondContact O-CG2 3.37Å; E351-V355 PolarHBondContact O-N 2.69Å; E351-V355 VanDerWaalsContact O-N 3.07Å
352	A	98.6	Very high	97.3	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-34.4	179.1	0	0	0	0	0	112.8	W233 F276 A348 M349 N350 V355 T356 L369	W233-A352 HydrophobicContact CZ2-CB 3.89Å; F276-A352 HydrophobicContact CD1-CB 3.59Å; F276-A352 HydrophobicContact CD2-CB 3.96Å; F276-A352 HydrophobicContact CE1-CB 3.43Å; F276-A352 VanDerWaalsContact CE1-CB 3.43Å; F276-A352 HydrophobicContact CE2-CB 3.79Å; F276-A352 HydrophobicContact CG-CB 3.87Å; F276-A352 HydrophobicContact CZ-CB 3.53Å; A348-A352 VanDerWaalsContact O-CB 3.32Å; A348-A352 WeakPolarHBondContact O-CB 3.38Å; A348-A352 PolarHBondContact O-N 3.42Å; M349-A352 PolarHBondContact O-N 3.27Å; N350-A352 VanDerWaalsContact C-N 3.32Å; N350-A352 PolarHBondContact O-N 3.35Å; A352-V355 PolarHBondContact O-N 3.27Å; A352-T356 WeakPolarHBondContact O-CB 3.4Å; A352-T356 VanDerWaalsContact O-CG2 3.3Å; A352-T356 WeakPolarHBondContact O-CG2 3.33Å; A352-T356 PolarHBondContact O-N 3.12Å; A352-T356 PolarHBondContact O-OG1 2.79Å; A352-L369 HydrophobicContact CB-CD1 3.84Å
353	L	98.5	Very high	97.2	Very high	12 Å²	12	43 Å²	43	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-47.3	173.6	-178	55.6	0	0	0	111.3	F276 L277 T280 M349 N350 E351 V355 T356 M357	F276-L353 HydrophobicContact CB-CB 3.89Å; F276-L353 HydrophobicContact CB-CD1 3.99Å; L277-L353 HydrophobicContact CB-CD1 3.89Å; L277-L353 HydrophobicContact CD1-CD1 4.48Å; L277-L353 HydrophobicContact CD1-CD2 4.27Å; T280-L353 HydrophobicContact CG2-CD2 4.09Å; M349-L353 WeakPolarHBondContact O-CB 3.24Å; M349-L353 PolarHBondContact O-N 2.91Å; N350-L353 WeakPolarHBondContact O-CB 3.31Å; N350-L353 PolarHBondContact O-N 2.83Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 3.24Å; L353-V355 PolarHBondContact O-N 2.86Å; L353-T356 WeakPolarHBondContact CA-OG1 3.23Å; L353-T356 PolarHBondContact O-N 3.12Å; L353-T356 PolarHBondContact O-OG1 3.28Å; L353-M357 HydrophobicContact CD1-CE 3.71Å; L353-M357 HydrophobicContact CD1-CG 4.36Å; L353-M357 HydrophobicContact CD2-CE 4.19Å; L353-M357 HydrophobicContact CG-CE 3.86Å; L353-M357 WeakPolarHBondContact O-CB 3.34Å; L353-M357 VanDerWaalsContact O-CG 3.3Å; L353-M357 WeakPolarHBondContact O-CG 3.4Å; L353-M357 PolarHBondContact O-N 3.03Å
354	D	98.2	Very high	97.2	Very high	91 Å²	91	43.2 Å²	43.2	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-43.5	178.9	-73.8	-22.5	0	0	0	111.5	N350 E351 M357 D358	N350-D354 PolarHBondContact O-N 3.27Å; E351-D354 PolarHBondContact O-N 3.39Å; D354-M357 PolarHBondContact O-N 2.75Å; D354-D358 PolarHBondContact O-N 3.46Å; D354-D358 VanDerWaalsContact O-N 3.1Å
355	V	98.2	Very high	97.1	Very high	21 Å²	21	46 Å²	46	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177.1	172.2	0	0	0	0	111.3	E351 A352 L353 M357 D358 I359 K368 L369	E351-V355 WeakPolarHBondContact O-CG2 3.37Å; E351-V355 PolarHBondContact O-N 2.69Å; E351-V355 VanDerWaalsContact O-N 3.07Å; A352-V355 PolarHBondContact O-N 3.27Å; L353-V355 PolarHBondContact O-N 2.86Å; V355-M357 PolarHBondContact O-N 3.41Å; V355-D358 PolarHBondContact O-N 3.2Å; V355-I359 HydrophobicContact CG1-CD1 3.8Å; V355-I359 HydrophobicContact CG1-CG1 4.39Å; V355-I359 VanDerWaalsContact O-CG1 3.31Å; V355-I359 WeakPolarHBondContact O-CG1 3.48Å; V355-I359 PolarHBondContact O-N 3.33Å; V355-K368 HydrophobicContact CG1-CB 4.06Å; V355-K368 HydrophobicContact CG1-CG 3.8Å; V355-K368 HydrophobicContact CG2-CG 4.29Å; V355-L369 HydrophobicContact CG1-CB 4.1Å; V355-L369 HydrophobicContact CG1-CD1 4.38Å
356	T	98	Very high	97	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-35.8	179.7	50.4	0	0	0	0	112.4	V272 F276 A352 L353 D358 I359 L360 W366 L369	V272-T356 HydrophobicContact CG1-CG2 3.97Å; F276-T356 HydrophobicContact CD2-CG2 3.7Å; F276-T356 HydrophobicContact CE2-CG2 3.74Å; A352-T356 WeakPolarHBondContact O-CB 3.4Å; A352-T356 VanDerWaalsContact O-CG2 3.3Å; A352-T356 WeakPolarHBondContact O-CG2 3.33Å; A352-T356 PolarHBondContact O-N 3.12Å; A352-T356 PolarHBondContact O-OG1 2.79Å; L353-T356 WeakPolarHBondContact CA-OG1 3.23Å; L353-T356 PolarHBondContact O-N 3.12Å; L353-T356 PolarHBondContact O-OG1 3.28Å; T356-D358 VanDerWaalsContact C-N 3.33Å; T356-D358 PolarHBondContact O-N 3.36Å; T356-I359 PolarHBondContact O-N 2.93Å; T356-L360 WeakPolarHBondContact O-CB 3.45Å; T356-L360 VanDerWaalsContact O-CG 3.23Å; T356-L360 WeakPolarHBondContact O-CG 3.18Å; T356-L360 PolarHBondContact O-N 3.35Å; T356-W366 HydrophobicContact CG2-CZ3 4.35Å; T356-L369 HydrophobicContact CG2-CD1 4Å; T356-L369 HydrophobicContact CG2-CD2 3.9Å
357	M	96.8	Very high	97	Very high	61 Å²	61	46.1 Å²	46.1	30%	0.3	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-44.4	171.1	-75.4	-173.6	-178.7	0	0	111.8	L353 D354 V355 L360 V361	L353-M357 HydrophobicContact CD1-CE 3.71Å; L353-M357 HydrophobicContact CD1-CG 4.36Å; L353-M357 HydrophobicContact CD2-CE 4.19Å; L353-M357 HydrophobicContact CG-CE 3.86Å; L353-M357 WeakPolarHBondContact O-CB 3.34Å; L353-M357 VanDerWaalsContact O-CG 3.3Å; L353-M357 WeakPolarHBondContact O-CG 3.4Å; L353-M357 PolarHBondContact O-N 3.03Å; D354-M357 PolarHBondContact O-N 2.75Å; V355-M357 PolarHBondContact O-N 3.41Å; M357-L360 PolarHBondContact O-N 3.34Å; M357-V361 WeakPolarHBondContact O-CG2 3.42Å; M357-V361 PolarHBondContact O-N 2.85Å
358	D	97.8	Very high	96.9	Very high	44 Å²	44	45.6 Å²	45.6	24%	0.235	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-36.1	178.1	-82	-8.3	0	0	0	112	D354 V355 T356 V361 G362 K363 S364 R524	D354-D358 PolarHBondContact O-N 3.46Å; D354-D358 VanDerWaalsContact O-N 3.1Å; V355-D358 PolarHBondContact O-N 3.2Å; T356-D358 VanDerWaalsContact C-N 3.33Å; T356-D358 PolarHBondContact O-N 3.36Å; D358-V361 WeakPolarHBondContact O-CG2 3.42Å; D358-G362 PolarHBondContact O-N 2.85Å; D358-K363 HydrophobicContact CB-CB 4.29Å; D358-K363 WeakPolarHBondContact O-CA 3.46Å; D358-K363 WeakPolarHBondContact O-CB 3.2Å; D358-K363 PolarHBondContact O-N 3.46Å; D358-S364 PolarHBondContact O-N 2.92Å; D358-R524 IonicContact OD1-NH1 3.53Å; D358-R524 PolarHBondContact OD1-NH1 3.15Å; D358-R524 IonicContact OD2-NH1 3.88Å; D358-R524 PolarHBondContact OD2-NH1 3.16Å
359	I	97.4	Very high	96.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-52.3	171.7	-66	165.2	0	0	0	110	Q41 V355 T356 V361 G362 S365 W366 L369	Q41-I359 PolarHBondContact NE2-O 3.43Å; V355-I359 HydrophobicContact CG1-CD1 3.8Å; V355-I359 HydrophobicContact CG1-CG1 4.39Å; V355-I359 VanDerWaalsContact O-CG1 3.31Å; V355-I359 WeakPolarHBondContact O-CG1 3.48Å; V355-I359 PolarHBondContact O-N 3.33Å; T356-I359 PolarHBondContact O-N 2.93Å; I359-V361 PolarHBondContact O-N 3.42Å; I359-G362 WeakPolarHBondContact O-CA 3.42Å; I359-G362 PolarHBondContact O-N 2.9Å; I359-S365 WeakPolarHBondContact CD1-O 3.47Å; I359-W366 HydrophobicContact CD1-CD2 4.2Å; I359-W366 HydrophobicContact CD1-CE3 3.77Å; I359-W366 HydrophobicContact CD1-CZ3 4.16Å; I359-W366 HydrophobicContact CG2-CD2 3.95Å; I359-W366 HydrophobicContact CG2-CE3 4.31Å; I359-W366 HydrophobicContact CG2-CG 4.49Å; I359-W366 HydrophobicContact CG2-CH2 4.19Å; I359-W366 HydrophobicContact CG2-CZ2 3.8Å; I359-W366 HydrophobicContact CG2-CZ3 4.43Å; I359-L369 HydrophobicContact CD1-CB 4.21Å
360	L	93.7	Very high	96.9	Very high	43 Å²	43	45.3 Å²	45.3	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-16.7	-176.5	-71.3	177.7	0	0	0	114.2	H37 T356 M357	H37-L360 PolarHBondContact CE1-O 3.32Å; T356-L360 WeakPolarHBondContact O-CB 3.45Å; T356-L360 VanDerWaalsContact O-CG 3.23Å; T356-L360 WeakPolarHBondContact O-CG 3.18Å; T356-L360 PolarHBondContact O-N 3.35Å; M357-L360 PolarHBondContact O-N 3.34Å
361	V	94	Very high	96.7	Very high	69 Å²	69	46 Å²	46	42%	0.418	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.1	172.6	-57	0	0	0	0	113.5	M357 D358 I359 K363	M357-V361 WeakPolarHBondContact O-CG2 3.42Å; M357-V361 PolarHBondContact O-N 2.85Å; D358-V361 WeakPolarHBondContact O-CG2 3.42Å; I359-V361 PolarHBondContact O-N 3.42Å; V361-K363 HydrophobicContact CG2-CB 4.26Å; V361-K363 HydrophobicContact CG2-CD 3.73Å; V361-K363 HydrophobicContact CG2-CG 3.88Å
362	G	92.2	Very high	96.6	Very high	57 Å²	57	44.5 Å²	44.5	59%	0.588	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	16.3	176	0	0	0	0	0	115.4	D358 I359	D358-G362 PolarHBondContact O-N 2.85Å; I359-G362 WeakPolarHBondContact O-CA 3.42Å; I359-G362 PolarHBondContact O-N 2.9Å
363	K	95.5	Very high	96.4	Very high	151 Å²	151	44.9 Å²	44.9	66%	0.657	26%	0.258	S	S	*	.	S	Bend	trans	-93.8	-9.1	-179.1	-69.3	175.1	-173	172.4	0	114	D358 V361	D358-K363 HydrophobicContact CB-CB 4.29Å; D358-K363 WeakPolarHBondContact O-CA 3.46Å; D358-K363 WeakPolarHBondContact O-CB 3.2Å; D358-K363 PolarHBondContact O-N 3.46Å; V361-K363 HydrophobicContact CG2-CB 4.26Å; V361-K363 HydrophobicContact CG2-CD 3.73Å; V361-K363 HydrophobicContact CG2-CG 3.88Å
364	S	96	Very high	96.3	Very high	47 Å²	47	47.2 Å²	47.2	33%	0.329	27%	0.271	S	S	.	.	S	Bend	trans	-148	175.9	-179.8	-159.6	0	0	0	0	110.8	D358	D358-S364 PolarHBondContact O-N 2.92Å
365	S	96.2	Very high	96.2	Very high	63 Å²	63	42.9 Å²	42.9	44%	0.441	25%	0.247	S	C	.	.			trans	-119.9	157.7	-178.9	56.9	0	0	0	0	111.4	I359 S367 K368	I359-S365 WeakPolarHBondContact CD1-O 3.47Å; S365-S367 PolarHBondContact O-N 3.41Å; S365-S367 PolarHBondContact OG-OG 3.4Å; S365-K368 VanDerWaalsContact O-CB 3.26Å; S365-K368 WeakPolarHBondContact O-CB 3.3Å; S365-K368 PolarHBondContact O-N 3.38Å
366	W	97.7	Very high	96.1	Very high	8 Å²	8	42 Å²	42	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-32.9	178.5	-70.2	113.7	0	0	0	113.9	Q41 L45 Y48 V272 T356 I359 K368 L369 F370	Q41-W366 PolarHBondContact O-NE1 2.88Å; L45-W366 HydrophobicContact CB-CD2 3.97Å; L45-W366 HydrophobicContact CB-CG 4.16Å; L45-W366 HydrophobicContact CB-CZ2 4.09Å; L45-W366 HydrophobicContact CD1-CB 4.49Å; L45-W366 HydrophobicContact CD1-CD2 3.75Å; L45-W366 HydrophobicContact CD1-CE3 3.73Å; L45-W366 HydrophobicContact CD1-CG 4.09Å; L45-W366 HydrophobicContact CD1-CZ3 4.23Å; L45-W366 HydrophobicContact CD2-CH2 4.26Å; L45-W366 HydrophobicContact CD2-CZ2 4.32Å; L45-W366 HydrophobicContact CD2-CZ3 4.43Å; L45-W366 HydrophobicContact CG-CD2 4.34Å; Y48-W366 HydrophobicContact CG-CB 4.3Å; V272-W366 HydrophobicContact CB-CH2 4.45Å; V272-W366 HydrophobicContact CB-CZ3 4.46Å; V272-W366 HydrophobicContact CG1-CH2 4.44Å; V272-W366 HydrophobicContact CG1-CZ3 4.01Å; T356-W366 HydrophobicContact CG2-CZ3 4.35Å; I359-W366 HydrophobicContact CD1-CD2 4.2Å; I359-W366 HydrophobicContact CD1-CE3 3.77Å; I359-W366 HydrophobicContact CD1-CZ3 4.16Å; I359-W366 HydrophobicContact CG2-CD2 3.95Å; I359-W366 HydrophobicContact CG2-CE3 4.31Å; I359-W366 HydrophobicContact CG2-CG 4.49Å; I359-W366 HydrophobicContact CG2-CH2 4.19Å; I359-W366 HydrophobicContact CG2-CZ2 3.8Å; I359-W366 HydrophobicContact CG2-CZ3 4.43Å; W366-K368 PolarHBondContact O-N 3.23Å; W366-K368 VanDerWaalsContact O-N 3.07Å; W366-L369 HydrophobicContact CE3-CD2 3.95Å; W366-L369 HydrophobicContact CZ3-CD2 3.88Å; W366-L369 WeakPolarHBondContact O-CB 3.35Å; W366-L369 PolarHBondContact O-N 2.99Å; W366-F370 HydrophobicContact CB-CE2 4.26Å; W366-F370 WeakPolarHBondContact O-CD2 3.25Å
367	S	96.8	Very high	95.8	Very high	52 Å²	52	45.9 Å²	45.9	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-52.3	-31.8	173.8	56	0	0	0	0	113.7	S365 F370 E371	S365-S367 PolarHBondContact O-N 3.41Å; S365-S367 PolarHBondContact OG-OG 3.4Å; S367-F370 PolarHBondContact O-N 3.4Å; S367-E371 PolarHBondContact O-N 3.3Å
368	K	97	Very high	95.7	Very high	70 Å²	70	46.4 Å²	46.4	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-37.4	177.9	-173.7	51.5	170.2	173.6	0	112.5	V355 S365 W366 F370 E371	V355-K368 HydrophobicContact CG1-CB 4.06Å; V355-K368 HydrophobicContact CG1-CG 3.8Å; V355-K368 HydrophobicContact CG2-CG 4.29Å; S365-K368 VanDerWaalsContact O-CB 3.26Å; S365-K368 WeakPolarHBondContact O-CB 3.3Å; S365-K368 PolarHBondContact O-N 3.38Å; W366-K368 PolarHBondContact O-N 3.23Å; W366-K368 VanDerWaalsContact O-N 3.07Å; K368-F370 VanDerWaalsContact C-N 3.26Å; K368-F370 PolarHBondContact O-N 2.94Å; K368-E371 VanDerWaalsContact CD-CD 3.42Å; K368-E371 HydrophobicContact CD-CG 4.28Å; K368-E371 WeakPolarHBondContact CD-OE1 3.32Å; K368-E371 IonicContact NZ-OE1 2.99Å; K368-E371 PolarHBondContact NZ-OE1 2.83Å; K368-E371 IonicContact NZ-OE2 2.91Å; K368-E371 PolarHBondContact NZ-OE2 2.9Å
369	L	97.9	Very high	95.6	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-33.6	179.2	-178.4	61.4	0	0	0	111.7	V272 F276 A352 V355 T356 I359 W366	V272-L369 HydrophobicContact CG1-CD2 3.94Å; F276-L369 HydrophobicContact CE2-CD1 4Å; F276-L369 HydrophobicContact CE2-CD2 4.26Å; F276-L369 HydrophobicContact CZ-CD1 4.23Å; A352-L369 HydrophobicContact CB-CD1 3.84Å; V355-L369 HydrophobicContact CG1-CB 4.1Å; V355-L369 HydrophobicContact CG1-CD1 4.38Å; T356-L369 HydrophobicContact CG2-CD1 4Å; T356-L369 HydrophobicContact CG2-CD2 3.9Å; I359-L369 HydrophobicContact CD1-CB 4.21Å; W366-L369 HydrophobicContact CE3-CD2 3.95Å; W366-L369 HydrophobicContact CZ3-CD2 3.88Å; W366-L369 WeakPolarHBondContact O-CB 3.35Å; W366-L369 PolarHBondContact O-N 2.99Å
370	F	97.2	Very high	95.5	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.2	-173.7	-55.2	-68.7	0	0	0	113.9	L45 Y48 L49 A229 L232 W233 K236 W366 S367 K368	L45-F370 HydrophobicContact CD1-CE2 3.94Å; L45-F370 HydrophobicContact CD1-CZ 3.91Å; Y48-F370 AromaticContact CD1-CD2 3.4Å; Y48-F370 HydrophobicContact CD1-CD2 3.4Å; Y48-F370 AromaticContact CD1-CE2 3.57Å; Y48-F370 HydrophobicContact CD1-CE2 3.57Å; Y48-F370 HydrophobicContact CD1-CG 4.33Å; Y48-F370 HydrophobicContact CE1-CB 3.8Å; Y48-F370 AromaticContact CE1-CD2 3.03Å; Y48-F370 HydrophobicContact CE1-CD2 3.03Å; Y48-F370 AromaticContact CE1-CE2 3.72Å; Y48-F370 HydrophobicContact CE1-CE2 3.72Å; Y48-F370 AromaticContact CE1-CG 3.61Å; Y48-F370 HydrophobicContact CE1-CG 3.61Å; Y48-F370 HydrophobicContact CG-CD2 4.45Å; Y48-F370 AromaticContact CZ-CD2 3.86Å; L49-F370 HydrophobicContact CD2-CZ 4.3Å; A229-F370 HydrophobicContact CB-CE1 4.49Å; A229-F370 HydrophobicContact CB-CZ 4.1Å; A229-F370 WeakPolarHBondContact O-CE1 3.43Å; L232-F370 HydrophobicContact CB-CD1 4.23Å; L232-F370 HydrophobicContact CB-CE1 4.15Å; L232-F370 HydrophobicContact CD2-CD1 3.71Å; L232-F370 HydrophobicContact CD2-CE1 3.94Å; L232-F370 HydrophobicContact CD2-CG 4.05Å; L232-F370 HydrophobicContact CD2-CZ 4.44Å; L232-F370 HydrophobicContact CG-CD1 3.73Å; L232-F370 HydrophobicContact CG-CE1 4.1Å; L232-F370 HydrophobicContact CG-CG 4.42Å; W233-F370 HydrophobicContact CB-CD1 4.05Å; W233-F370 HydrophobicContact CB-CE1 3.93Å; K236-F370 WeakPolarHBondContact CD-O 3.29Å; K236-F370 HydrophobicContact CG-CB 4.47Å; K236-F370 WeakPolarHBondContact CG-O 3.28Å; W366-F370 HydrophobicContact CB-CE2 4.26Å; W366-F370 WeakPolarHBondContact O-CD2 3.25Å; S367-F370 PolarHBondContact O-N 3.4Å; K368-F370 VanDerWaalsContact C-N 3.26Å; K368-F370 PolarHBondContact O-N 2.94Å
371	E	95.9	Very high	95.5	Very high	77 Å²	77	52.3 Å²	52.3	36%	0.36	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-58.4	139.8	172.6	-78	-178.9	176.6	0	0	111.4	S367 K368	S367-E371 PolarHBondContact O-N 3.3Å; K368-E371 VanDerWaalsContact CD-CD 3.42Å; K368-E371 HydrophobicContact CD-CG 4.28Å; K368-E371 WeakPolarHBondContact CD-OE1 3.32Å; K368-E371 IonicContact NZ-OE1 2.99Å; K368-E371 PolarHBondContact NZ-OE1 2.83Å; K368-E371 IonicContact NZ-OE2 2.91Å; K368-E371 PolarHBondContact NZ-OE2 2.9Å
372	P	95.3	Very high	95.7	Very high	55 Å²	55	49 Å²	49	36%	0.357	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-58.3	149.9	177.5	-22.8	32.6	0	0	0	113.1	Q510 G511	P372-Q510 HydrophobicContact CB-CB 4.17Å; P372-G511 WeakPolarHBondContact O-CA 3.19Å
373	S	94.9	Very high	95.9	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-55.1	137.8	172.7	-176.8	0	0	0	0	112.2	K236 F375	K236-S373 PolarHBondContact O-N 3.4Å; S373-F375 PolarHBondContact O-N 2.97Å; S373-F375 PolarHBondContact OG-N 2.78Å
374	N	94.8	Very high	95.9	Very high	62 Å²	62	39.6 Å²	39.6	33%	0.332	20%	0.202	S	C	.	.			trans	-84.1	20.3	173.5	68.4	-7.2	0	0	0	113	F376 W377 K378 G511	N374-F376 VanDerWaalsContact C-N 3.29Å; N374-F376 PolarHBondContact O-N 3.36Å; N374-F376 VanDerWaalsContact O-N 3.12Å; N374-W377 CarbonylContact O-C 3.44Å; N374-W377 WeakPolarHBondContact O-CA 3.21Å; N374-W377 PolarHBondContact O-N 3.36Å; N374-K378 PolarHBondContact O-N 3.39Å; N374-G511 WeakPolarHBondContact CB-O 3.47Å
375	F	96.7	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-44.9	-45.6	-174.8	175.9	-94	0	0	0	114.4	S373 W377 K378 Y379 Y382 H423 I425 L446	S373-F375 PolarHBondContact O-N 2.97Å; S373-F375 PolarHBondContact OG-N 2.78Å; F375-W377 PolarHBondContact O-N 2.89Å; F375-K378 PolarHBondContact O-N 3.4Å; F375-Y379 HydrophobicContact CD2-CD2 4.24Å; F375-Y379 AromaticContact CD2-CE2 3.82Å; F375-Y379 HydrophobicContact CD2-CE2 3.82Å; F375-Y379 HydrophobicContact CE2-CD2 4.2Å; F375-Y379 AromaticContact CE2-CE2 3.94Å; F375-Y379 HydrophobicContact CE2-CE2 3.94Å; F375-Y382 HydrophobicContact CD1-CE1 4.28Å; F375-Y382 HydrophobicContact CE1-CD1 4.18Å; F375-Y382 AromaticContact CE1-CE1 3.74Å; F375-Y382 HydrophobicContact CE1-CE1 3.74Å; F375-Y382 HydrophobicContact CZ-CD1 4.27Å; F375-Y382 AromaticContact CZ-CE1 3.99Å; F375-Y382 HydrophobicContact CZ-CE1 3.99Å; F375-Y382 PolarHBondContact O-OH 3.42Å; F375-H423 AromaticContact CD2-CD2 3.68Å; F375-H423 AromaticContact CD2-CE1 3.67Å; F375-H423 AromaticContact CD2-CG 3.77Å; F375-H423 AromaticContact CD2-ND1 3.74Å; F375-H423 AromaticContact CD2-NE2 3.6Å; F375-H423 HydrophobicContact CE2-CB 3.97Å; F375-H423 AromaticContact CE2-CD2 3.49Å; F375-H423 VanDerWaalsContact CE2-CD2 3.49Å; F375-H423 WeakPolarHBondContact CE2-CD2 3.3Å; F375-H423 AromaticContact CE2-CG 3.54Å; F375-H423 AromaticContact CE2-ND1 3.99Å; F375-H423 AromaticContact CE2-NE2 3.92Å; F375-H423 WeakPolarHBondContact CE2-O 3.45Å; F375-I425 HydrophobicContact CD1-CD1 3.93Å; F375-I425 HydrophobicContact CE1-CB 4.32Å; F375-I425 HydrophobicContact CE1-CD1 4.1Å; F375-I425 HydrophobicContact CE2-CB 4.47Å; F375-I425 HydrophobicContact CG-CD1 4.4Å; F375-I425 HydrophobicContact CZ-CB 4.15Å; F375-L446 HydrophobicContact CE1-CD2 3.8Å; F375-L446 HydrophobicContact CE1-CG 4.08Å; F375-L446 HydrophobicContact CZ-CG 4.45Å
376	F	95.9	Very high	96	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-11.2	-178.1	-54	-66	0	0	0	114	N374 Y382 I425 F429 L446 R496 L499 L503 I507 L508	N374-F376 VanDerWaalsContact C-N 3.29Å; N374-F376 PolarHBondContact O-N 3.36Å; N374-F376 VanDerWaalsContact O-N 3.12Å; F376-Y382 WeakPolarHBondContact CA-OH 3.39Å; F376-Y382 PolarHBondContact O-OH 3.14Å; F376-I425 HydrophobicContact CE1-CD1 4.31Å; F376-I425 HydrophobicContact CZ-CD1 4.1Å; F376-F429 HydrophobicContact CE1-CZ 4.38Å; F376-F429 HydrophobicContact CZ-CE1 4.44Å; F376-F429 AromaticContact CZ-CZ 3.98Å; F376-F429 HydrophobicContact CZ-CZ 3.98Å; F376-L446 HydrophobicContact CD1-CD2 4.13Å; F376-L446 HydrophobicContact CE1-CD2 3.91Å; F376-R496 WeakPolarHBondContact O-CD 3.45Å; F376-R496 WeakPolarHBondContact O-CG 3.45Å; F376-L499 HydrophobicContact CB-CD1 4.41Å; F376-L499 HydrophobicContact CD1-CD1 4.4Å; F376-L503 HydrophobicContact CD1-CD1 3.95Å; F376-L503 HydrophobicContact CE1-CD1 3.56Å; F376-L503 HydrophobicContact CZ-CD1 4.29Å; F376-I507 HydrophobicContact CD2-CG2 4.27Å; F376-I507 WeakPolarHBondContact CD2-O 3.49Å; F376-I507 HydrophobicContact CE1-CG2 4.12Å; F376-I507 HydrophobicContact CE2-CG2 3.31Å; F376-I507 VanDerWaalsContact CE2-O 3.31Å; F376-I507 WeakPolarHBondContact CE2-O 3.04Å; F376-I507 HydrophobicContact CZ-CG2 3.24Å; F376-L508 HydrophobicContact CB-CD2 4.16Å; F376-L508 HydrophobicContact CD1-CD2 4.3Å; F376-L508 HydrophobicContact CG-CD2 4.22Å
377	W	92.9	Very high	95.9	Very high	82 Å²	82	34 Å²	34	31%	0.311	17%	0.165	S	C	.	.	H	α-helix	trans	-110.4	-23.4	178.4	-55.7	91.4	0	0	0	112.7	N374 F375 R496 L508 Q510 K512	N374-W377 CarbonylContact O-C 3.44Å; N374-W377 WeakPolarHBondContact O-CA 3.21Å; N374-W377 PolarHBondContact O-N 3.36Å; F375-W377 PolarHBondContact O-N 2.89Å; W377-R496 PolarHBondContact O-NH1 3.48Å; W377-L508 WeakPolarHBondContact CZ2-O 3.43Å; W377-L508 PolarHBondContact NE1-O 3.43Å; W377-Q510 PolarHBondContact NE1-O 3.33Å; W377-K512 HydrophobicContact CD2-CG 4.24Å; W377-K512 HydrophobicContact CH2-CD 3.81Å; W377-K512 VanDerWaalsContact CH2-CE 3.47Å; W377-K512 HydrophobicContact CH2-CG 4.24Å; W377-K512 HydrophobicContact CZ2-CB 4.12Å; W377-K512 HydrophobicContact CZ2-CD 3.52Å; W377-K512 HydrophobicContact CZ2-CG 3.8Å
378	K	94.4	Very high	95.9	Very high	72 Å²	72	33.1 Å²	33.1	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-63.9	-45.2	-175.1	-176	170	177.8	179.3	0	112.4	E347 N374 F375	E347-K378 IonicContact OE2-NZ 2.74Å; E347-K378 PolarHBondContact OE2-NZ 2.85Å; N374-K378 PolarHBondContact O-N 3.39Å; F375-K378 PolarHBondContact O-N 3.4Å
379	Y	95.4	Very high	95.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.008	14%	0.14	C	C	.	.			trans	-100.3	151.3	-171.5	-54.4	-77.7	0	0	0	112.8	F375 Y382 L421 H423 E450 R496	F375-Y379 HydrophobicContact CD2-CD2 4.24Å; F375-Y379 AromaticContact CD2-CE2 3.82Å; F375-Y379 HydrophobicContact CD2-CE2 3.82Å; F375-Y379 HydrophobicContact CE2-CD2 4.2Å; F375-Y379 AromaticContact CE2-CE2 3.94Å; F375-Y379 HydrophobicContact CE2-CE2 3.94Å; Y379-Y382 HydrophobicContact CD2-CE1 4.12Å; Y379-Y382 PolarHBondContact N-OH 2.8Å; Y379-Y382 VanDerWaalsContact O-CE2 3.28Å; Y379-Y382 WeakPolarHBondContact O-CE2 3.4Å; Y379-Y382 PolarHBondContact O-OH 2.87Å; Y379-L421 HydrophobicContact CE1-CD2 4.15Å; Y379-H423 HydrophobicContact CE1-CB 4.36Å; Y379-H423 HydrophobicContact CE2-CB 3.72Å; Y379-H423 AromaticContact CE2-CG 3.8Å; Y379-H423 AromaticContact CE2-ND1 3.4Å; Y379-H423 WeakPolarHBondContact CE2-ND1 3.4Å; Y379-H423 AromaticContact CZ-CG 3.86Å; Y379-H423 AromaticContact CZ-ND1 3.41Å; Y379-H423 WeakPolarHBondContact OH-CB 3.37Å; Y379-H423 PolarHBondContact OH-ND1 3.35Å; Y379-E450 HydrophobicContact CD1-CG 3.65Å; Y379-E450 HydrophobicContact CE1-CG 3.58Å; Y379-E450 VanDerWaalsContact CE1-OE1 3.24Å; Y379-E450 WeakPolarHBondContact CE1-OE1 3.39Å; Y379-R496 WeakPolarHBondContact O-CD 3.19Å
380	K	94.2	Very high	95.5	Very high	157 Å²	157	33.7 Å²	33.7	68%	0.683	16%	0.16	S	C	*	.	S	Bend	trans	-86.5	-30.9	172.8	-67.9	-177.7	-177.8	177.7	0	112.2	R496	K380-R496 PolarHBondContact O-N 2.94Å
381	H	94.8	Very high	95.2	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.25	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140	-171.6	-58.3	-71.5	0	0	0	109.4	I449 Y493	H381-I449 HydrophobicContact CB-CB 4.18Å; H381-I449 PolarHBondContact O-N 2.96Å; H381-Y493 HydrophobicContact CB-CE2 4.11Å; H381-Y493 PolarHBondContact CE1-OH 2.83Å; H381-Y493 AromaticContact ND1-CE2 3.72Å; H381-Y493 AromaticContact ND1-CZ 3.71Å; H381-Y493 PolarHBondContact ND1-OH 3.32Å
382	Y	96.8	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156	178	-63.6	-96.2	0	0	0	111.1	F375 F376 Y379 L446 F447 L494 R496 L499	F375-Y382 HydrophobicContact CD1-CE1 4.28Å; F375-Y382 HydrophobicContact CE1-CD1 4.18Å; F375-Y382 AromaticContact CE1-CE1 3.74Å; F375-Y382 HydrophobicContact CE1-CE1 3.74Å; F375-Y382 HydrophobicContact CZ-CD1 4.27Å; F375-Y382 AromaticContact CZ-CE1 3.99Å; F375-Y382 HydrophobicContact CZ-CE1 3.99Å; F375-Y382 PolarHBondContact O-OH 3.42Å; F376-Y382 WeakPolarHBondContact CA-OH 3.39Å; F376-Y382 PolarHBondContact O-OH 3.14Å; Y379-Y382 HydrophobicContact CD2-CE1 4.12Å; Y379-Y382 PolarHBondContact N-OH 2.8Å; Y379-Y382 VanDerWaalsContact O-CE2 3.28Å; Y379-Y382 WeakPolarHBondContact O-CE2 3.4Å; Y379-Y382 PolarHBondContact O-OH 2.87Å; Y382-L446 HydrophobicContact CD1-CD1 4.32Å; Y382-L446 HydrophobicContact CD1-CD2 4.22Å; Y382-L446 HydrophobicContact CD1-CG 4.08Å; Y382-F447 CarbonylContact C-O 3.53Å; Y382-F447 WeakPolarHBondContact CA-O 3.31Å; Y382-F447 WeakPolarHBondContact CB-O 3.44Å; Y382-F447 WeakPolarHBondContact CD1-O 3.46Å; Y382-L494 PolarHBondContact N-O 3.42Å; Y382-L494 PolarHBondContact O-N 3.35Å; Y382-R496 HydrophobicContact CD2-CB 4.46Å; Y382-R496 HydrophobicContact CE2-CB 3.89Å; Y382-R496 HydrophobicContact CE2-CG 4.04Å; Y382-L499 HydrophobicContact CD1-CD1 4.42Å; Y382-L499 HydrophobicContact CD1-CD2 4.36Å; Y382-L499 HydrophobicContact CD2-CD1 3.9Å; Y382-L499 HydrophobicContact CD2-CD2 4.12Å; Y382-L499 HydrophobicContact CD2-CG 4.14Å; Y382-L499 HydrophobicContact CE1-CD1 4.2Å; Y382-L499 HydrophobicContact CE2-CD1 3.66Å; Y382-L499 HydrophobicContact CE2-CG 4.36Å; Y382-L499 HydrophobicContact CG-CD1 4.3Å; Y382-L499 HydrophobicContact CG-CD2 3.96Å; Y382-L499 HydrophobicContact CG-CG 4.46Å
383	I	96.5	Very high	94.6	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.2	164.8	-69.3	165.2	0	0	0	108.1	F413 F447 I449 L462 A491 K492	I383-F413 HydrophobicContact CD1-CE2 4.39Å; I383-F413 HydrophobicContact CD1-CZ 4.07Å; I383-F447 HydrophobicContact CB-CB 4.3Å; I383-F447 HydrophobicContact CG2-CD2 4.46Å; I383-F447 PolarHBondContact N-O 3.47Å; I383-F447 WeakPolarHBondContact O-CD2 3.39Å; I383-F447 PolarHBondContact O-N 3.29Å; I383-I449 HydrophobicContact CB-CD1 4.23Å; I383-I449 HydrophobicContact CD1-CD1 3.33Å; I383-I449 HydrophobicContact CG1-CD1 3.45Å; I383-I449 VanDerWaalsContact CG1-CD1 3.45Å; I383-L462 HydrophobicContact CD1-CD1 3.28Å; I383-A491 HydrophobicContact CG2-CB 4.11Å; I383-K492 CarbonylContact C-O 3.6Å; I383-K492 WeakPolarHBondContact CA-O 3.23Å
384	A	97.1	Very high	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.7	166	0	0	0	0	0	108.7	M386 F444 W445 L446 A491 K492 L494 L502	A384-M386 HydrophobicContact CB-SD 4.21Å; A384-F444 HydrophobicContact CB-CD2 3.98Å; A384-W445 CarbonylContact C-O 3.53Å; A384-W445 WeakPolarHBondContact CA-O 3.44Å; A384-L446 HydrophobicContact CB-CD1 4.15Å; A384-A491 CarbonylContact O-C 3.52Å; A384-A491 WeakPolarHBondContact O-CA 3.41Å; A384-K492 PolarHBondContact N-O 3.42Å; A384-K492 PolarHBondContact O-N 3.1Å; A384-L494 HydrophobicContact CB-CD1 3.78Å; A384-L502 HydrophobicContact CB-CD1 3.9Å
385	L	97.7	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	105.3	169.7	-180	69	0	0	0	108.2	V402 L406 L409 F444 W445 F447 F469 L489 A491	L385-V402 HydrophobicContact CD2-CG1 4.33Å; L385-L406 HydrophobicContact CD2-CD2 3.7Å; L385-L409 HydrophobicContact CD2-CD2 4.01Å; L385-F444 CarbonylContact O-C 3.58Å; L385-F444 WeakPolarHBondContact O-CA 3.4Å; L385-F444 WeakPolarHBondContact O-CB 3.43Å; L385-W445 HydrophobicContact CB-CE3 4.44Å; L385-W445 HydrophobicContact CD2-CE3 4.1Å; L385-W445 HydrophobicContact CG-CE3 4.23Å; L385-W445 PolarHBondContact N-O 3.38Å; L385-W445 PolarHBondContact O-N 2.67Å; L385-F447 HydrophobicContact CB-CE2 3.93Å; L385-F469 HydrophobicContact CD2-CD1 4.38Å; L385-F469 HydrophobicContact CD2-CE1 3.79Å; L385-L489 HydrophobicContact CD1-CB 4.37Å; L385-L489 HydrophobicContact CD1-CD2 4.28Å; L385-L489 HydrophobicContact CD2-CD2 4.24Å; L385-L489 HydrophobicContact CG-CD2 4.09Å; L385-A491 HydrophobicContact CD1-CB 4.42Å
386	M	96.2	Very high	94.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.2	179	-50.5	-62.2	-52.2	0	0	110.2	A384 Y388 P431 F444 L489 Q490 K492 L502	A384-M386 HydrophobicContact CB-SD 4.21Å; M386-Y388 HydrophobicContact CB-CD2 4.36Å; M386-Y388 HydrophobicContact CB-CE2 3.46Å; M386-Y388 VanDerWaalsContact CB-CE2 3.46Å; M386-Y388 HydrophobicContact CG-CE2 4.45Å; M386-P431 HydrophobicContact CE-CG 4.16Å; M386-F444 HydrophobicContact CE-CB 3.9Å; M386-F444 HydrophobicContact CE-CD1 4.21Å; M386-F444 HydrophobicContact CE-CG 4.35Å; M386-F444 HydrophobicContact SD-CB 3.51Å; M386-F444 VanDerWaalsContact SD-CB 3.51Å; M386-F444 HydrophobicContact SD-CD1 4.42Å; M386-F444 HydrophobicContact SD-CG 4.04Å; M386-L489 CarbonylContact O-C 3.55Å; M386-L489 VanDerWaalsContact O-CA 3.27Å; M386-L489 WeakPolarHBondContact O-CA 3.47Å; M386-Q490 WeakPolarHBondContact CB-O 3.46Å; M386-Q490 PolarHBondContact N-O 2.99Å; M386-Q490 PolarHBondContact O-N 2.91Å; M386-K492 HydrophobicContact CG-CD 3.82Å; M386-K492 HydrophobicContact CG-CG 4.18Å; M386-K492 HydrophobicContact SD-CD 4.22Å; M386-L502 HydrophobicContact SD-CD1 4.44Å
387	G	96.1	Very high	93.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.1	168.8	0	0	0	0	0	110.5	E442 V443	G387-E442 CarbonylContact O-C 3.53Å; G387-E442 WeakPolarHBondContact O-CA 3.3Å; G387-E442 WeakPolarHBondContact O-CB 3.34Å; G387-V443 PolarHBondContact N-O 2.95Å; G387-V443 PolarHBondContact O-N 3.01Å
388	Y	95	Very high	94	Very high	32 Å²	32	41.9 Å²	41.9	13%	0.125	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.8	-179	-59.9	-89.7	0	0	0	110	M386 K441 E442 M487 R488 Q490	M386-Y388 HydrophobicContact CB-CD2 4.36Å; M386-Y388 HydrophobicContact CB-CE2 3.46Å; M386-Y388 VanDerWaalsContact CB-CE2 3.46Å; M386-Y388 HydrophobicContact CG-CE2 4.45Å; Y388-K441 WeakPolarHBondContact CA-O 3.48Å; Y388-E442 HydrophobicContact CD1-CB 3.78Å; Y388-E442 HydrophobicContact CE1-CB 3.89Å; Y388-E442 WeakPolarHBondContact CE1-OE2 3.28Å; Y388-E442 PolarHBondContact OH-OE2 2.89Å; Y388-M487 VanDerWaalsContact O-CA 3.27Å; Y388-M487 WeakPolarHBondContact O-CA 3.26Å; Y388-R488 HydrophobicContact CD2-CG 3.82Å; Y388-R488 HydrophobicContact CG-CG 4.08Å; Y388-R488 PolarHBondContact N-O 3.14Å; Y388-R488 PolarHBondContact O-N 3.45Å; Y388-R488 VanDerWaalsContact O-N 3.16Å; Y388-Q490 HydrophobicContact CE2-CB 4.22Å
389	A	94.7	Very high	94	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.4	169.3	0	0	0	0	0	110.5	D394 L395 G440 K441 M487	A389-D394 HydrophobicContact CB-CB 3.81Å; A389-L395 HydrophobicContact CB-CB 3.94Å; A389-L395 HydrophobicContact CB-CD1 3.93Å; A389-G440 CarbonylContact O-C 3.51Å; A389-G440 WeakPolarHBondContact O-CA 3.45Å; A389-K441 PolarHBondContact N-O 3.47Å; A389-K441 PolarHBondContact O-N 2.98Å; A389-M487 HydrophobicContact CB-CG 4.38Å
390	N	93.3	Very high	93.8	Very high	84 Å²	84	40.7 Å²	40.7	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	-76.8	-35	-176.9	-71.4	-13	0	0	0	112.9	V485	N390-V485 PolarHBondContact ND2-O 3.37Å; N390-V485 VanDerWaalsContact ND2-O 3.14Å
391	T	91.3	Very high	93.7	Very high	61 Å²	61	33.9 Å²	33.9	37%	0.374	19%	0.193	S	C	.	.	S	Bend	trans	-124.4	166.1	-178.2	71.5	0	0	0	0	111.6	E393 D394 L395	T391-E393 VanDerWaalsContact C-N 3.35Å; T391-D394 WeakPolarHBondContact OG1-CB 3.5Å; T391-D394 PolarHBondContact OG1-N 3.25Å; T391-D394 VanDerWaalsContact OG1-N 3.11Å; T391-D394 PolarHBondContact OG1-OD2 3.39Å; T391-L395 WeakPolarHBondContact O-CB 3.28Å; T391-L395 PolarHBondContact O-N 3.39Å
392	A	89.9	Confident	93.8	Very high	65 Å²	65	31.3 Å²	31.3	54%	0.537	18%	0.182	S	C	.	.	H	α-helix	trans	-68.4	-35.7	177.1	0	0	0	0	0	112.1	L395 L396 K441	A392-L395 PolarHBondContact O-N 2.9Å; A392-L396 PolarHBondContact O-N 3.46Å; A392-K441 HydrophobicContact CB-CG 4.37Å
393	E	88.7	Confident	93.7	Very high	119 Å²	119	33.2 Å²	33.2	56%	0.556	19%	0.19	S	C	*	.	H	α-helix	trans	-64.2	-47.3	174.5	-171.4	-162	132.5	0	0	111	T391 L395 L396 I397 R484	T391-E393 VanDerWaalsContact C-N 3.35Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.44Å; E393-L396 PolarHBondContact O-N 2.88Å; E393-I397 HydrophobicContact CG-CD1 4.45Å; E393-I397 WeakPolarHBondContact O-CG1 3.21Å; E393-I397 PolarHBondContact O-N 3.06Å; E393-I397 VanDerWaalsContact O-N 3.14Å; E393-R484 IonicContact OE1-CZ 2.68Å; E393-R484 IonicContact OE1-NH1 3.91Å; E393-R484 PolarHBondContact OE1-NH1 2.9Å; E393-R484 IonicContact OE1-NH2 3.78Å; E393-R484 PolarHBondContact OE1-NH2 3.1Å
394	D	92.4	Very high	93.4	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-43	176.3	-63.7	-28.6	0	0	0	111	A389 T391 L396 I397 F398 R484 M487	A389-D394 HydrophobicContact CB-CB 3.81Å; T391-D394 WeakPolarHBondContact OG1-CB 3.5Å; T391-D394 PolarHBondContact OG1-N 3.25Å; T391-D394 VanDerWaalsContact OG1-N 3.11Å; T391-D394 PolarHBondContact OG1-OD2 3.39Å; D394-L396 VanDerWaalsContact C-N 3.32Å; D394-L396 PolarHBondContact O-N 2.93Å; D394-I397 PolarHBondContact O-N 3.24Å; D394-F398 VanDerWaalsContact O-CB 3.26Å; D394-F398 WeakPolarHBondContact O-CB 3.39Å; D394-F398 PolarHBondContact O-N 2.86Å; D394-R484 WeakPolarHBondContact OD1-CD 3.49Å; D394-R484 IonicContact OD1-CZ 3.37Å; D394-R484 IonicContact OD1-NE 3.98Å; D394-R484 IonicContact OD1-NH1 2.88Å; D394-R484 PolarHBondContact OD1-NH1 2.92Å; D394-M487 HydrophobicContact CB-CE 3.8Å; D394-M487 VanDerWaalsContact O-CE 3.22Å; D394-M487 WeakPolarHBondContact O-CE 3.49Å
395	L	93.8	Very high	93.2	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-41.8	179	-169.1	70.7	0	0	0	111.5	A389 T391 A392 E393 F398 T399 K441 V443	A389-L395 HydrophobicContact CB-CB 3.94Å; A389-L395 HydrophobicContact CB-CD1 3.93Å; T391-L395 WeakPolarHBondContact O-CB 3.28Å; T391-L395 PolarHBondContact O-N 3.39Å; A392-L395 PolarHBondContact O-N 2.9Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.44Å; L395-F398 PolarHBondContact O-N 3.26Å; L395-T399 VanDerWaalsContact O-CB 3.32Å; L395-T399 WeakPolarHBondContact O-CB 3.46Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.36Å; L395-K441 HydrophobicContact CB-CB 4.08Å; L395-K441 HydrophobicContact CD1-CB 4.41Å; L395-K441 HydrophobicContact CD2-CB 3.53Å; L395-K441 HydrophobicContact CG-CB 4.21Å; L395-V443 HydrophobicContact CD1-CG2 4.14Å; L395-V443 HydrophobicContact CD2-CG1 3.69Å; L395-V443 HydrophobicContact CG-CG1 4.25Å
396	L	91.2	Very high	93.1	Very high	131 Å²	131	37.9 Å²	37.9	69%	0.686	21%	0.214	S	C	*	.	H	α-helix	trans	-61.1	-47.9	177.7	179.5	62.8	0	0	0	111.6	A392 E393 D394 F398 T399 G400	A392-L396 PolarHBondContact O-N 3.46Å; E393-L396 PolarHBondContact O-N 2.88Å; D394-L396 VanDerWaalsContact C-N 3.32Å; D394-L396 PolarHBondContact O-N 2.93Å; L396-F398 VanDerWaalsContact C-N 3.31Å; L396-F398 PolarHBondContact O-N 2.98Å; L396-T399 PolarHBondContact O-N 3.17Å; L396-G400 PolarHBondContact O-N 3.09Å
397	I	90.2	Very high	92.8	Very high	52 Å²	52	40.8 Å²	40.8	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-44.6	175.9	-65.4	168.1	0	0	0	110.3	E393 D394 G400 L401 T482	E393-I397 HydrophobicContact CG-CD1 4.45Å; E393-I397 WeakPolarHBondContact O-CG1 3.21Å; E393-I397 PolarHBondContact O-N 3.06Å; E393-I397 VanDerWaalsContact O-N 3.14Å; D394-I397 PolarHBondContact O-N 3.24Å; I397-G400 PolarHBondContact O-N 3.44Å; I397-L401 PolarHBondContact O-N 2.89Å; I397-L401 VanDerWaalsContact O-N 3.09Å; I397-T482 HydrophobicContact CG2-CG2 4.22Å
398	F	94.6	Very high	92.6	Very high	2 Å²	2	43 Å²	43	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-41.8	-178	-168.3	-133.3	0	0	0	112.3	D394 L395 L396 G400 L401 V402 V473 F483 M487 L489	D394-F398 VanDerWaalsContact O-CB 3.26Å; D394-F398 WeakPolarHBondContact O-CB 3.39Å; D394-F398 PolarHBondContact O-N 2.86Å; L395-F398 PolarHBondContact O-N 3.26Å; L396-F398 VanDerWaalsContact C-N 3.31Å; L396-F398 PolarHBondContact O-N 2.98Å; F398-G400 VanDerWaalsContact C-N 3.34Å; F398-G400 PolarHBondContact O-N 3.34Å; F398-L401 HydrophobicContact CD2-CD2 4.23Å; F398-L401 HydrophobicContact CE2-CD2 4.45Å; F398-L401 WeakPolarHBondContact O-CB 3.46Å; F398-L401 PolarHBondContact O-N 3.49Å; F398-L401 VanDerWaalsContact O-N 3.17Å; F398-V402 HydrophobicContact CD1-CG2 4.38Å; F398-V402 HydrophobicContact CD2-CG2 4.18Å; F398-V402 HydrophobicContact CE1-CG2 4.19Å; F398-V402 HydrophobicContact CE2-CG2 3.96Å; F398-V402 HydrophobicContact CG-CG2 4.38Å; F398-V402 HydrophobicContact CZ-CG2 3.99Å; F398-V402 VanDerWaalsContact O-CG2 3.28Å; F398-V402 WeakPolarHBondContact O-CG2 3.39Å; F398-V402 PolarHBondContact O-N 2.94Å; F398-V473 HydrophobicContact CE2-CG1 3.99Å; F398-F483 HydrophobicContact CE2-CD2 4.34Å; F398-F483 HydrophobicContact CE2-CE2 4.03Å; F398-M487 HydrophobicContact CB-CE 3.88Å; F398-M487 HydrophobicContact CB-CG 4.26Å; F398-M487 HydrophobicContact CB-SD 3.9Å; F398-M487 HydrophobicContact CD1-CB 4.4Å; F398-M487 HydrophobicContact CD1-CG 4.43Å; F398-M487 HydrophobicContact CD2-CB 4.01Å; F398-M487 HydrophobicContact CD2-CG 4.03Å; F398-M487 HydrophobicContact CD2-SD 3.59Å; F398-M487 VanDerWaalsContact CD2-SD 3.59Å; F398-M487 HydrophobicContact CE1-CB 4.32Å; F398-M487 HydrophobicContact CE2-CB 3.94Å; F398-M487 HydrophobicContact CE2-CG 4.48Å; F398-M487 HydrophobicContact CE2-SD 4.32Å; F398-M487 HydrophobicContact CG-CB 4.24Å; F398-M487 HydrophobicContact CG-CG 4.01Å; F398-M487 HydrophobicContact CG-SD 3.91Å; F398-M487 HydrophobicContact CZ-CB 4.08Å; F398-L489 HydrophobicContact CE1-CD2 4.18Å; F398-L489 HydrophobicContact CE1-CG 4.22Å; F398-L489 HydrophobicContact CZ-CD1 4.47Å; F398-L489 HydrophobicContact CZ-CD2 4.24Å; F398-L489 HydrophobicContact CZ-CG 3.85Å
399	T	94.9	Very high	92.6	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-49.5	174.4	-67.9	0	0	0	0	110.7	L395 L396 L401 V402 E403 H428 W445	L395-T399 VanDerWaalsContact O-CB 3.32Å; L395-T399 WeakPolarHBondContact O-CB 3.46Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.36Å; L396-T399 PolarHBondContact O-N 3.17Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 2.77Å; T399-V402 PolarHBondContact O-N 3.13Å; T399-E403 HydrophobicContact CG2-CG 4.37Å; T399-E403 WeakPolarHBondContact O-CB 3.21Å; T399-E403 WeakPolarHBondContact O-CG 3.33Å; T399-E403 PolarHBondContact O-N 3.39Å; T399-H428 VanDerWaalsContact CG2-CE1 3.45Å; T399-H428 WeakPolarHBondContact CG2-CE1 3.32Å; T399-H428 WeakPolarHBondContact CG2-ND1 3.44Å; T399-W445 HydrophobicContact CG2-CZ2 3.96Å
400	G	91.2	Very high	92.6	Very high	41 Å²	41	41.4 Å²	41.4	42%	0.423	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-41.1	176.8	0	0	0	0	0	113	L396 I397 F398 S404	L396-G400 PolarHBondContact O-N 3.09Å; I397-G400 PolarHBondContact O-N 3.44Å; F398-G400 VanDerWaalsContact C-N 3.34Å; F398-G400 PolarHBondContact O-N 3.34Å; G400-S404 WeakPolarHBondContact O-CB 3.47Å; G400-S404 PolarHBondContact O-N 3.02Å
401	L	91.8	Very high	92.5	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-47.6	175.4	176.9	65.1	0	0	0	111.7	I397 F398 T399 S404 V473	I397-L401 PolarHBondContact O-N 2.89Å; I397-L401 VanDerWaalsContact O-N 3.09Å; F398-L401 HydrophobicContact CD2-CD2 4.23Å; F398-L401 HydrophobicContact CE2-CD2 4.45Å; F398-L401 WeakPolarHBondContact O-CB 3.46Å; F398-L401 PolarHBondContact O-N 3.49Å; F398-L401 VanDerWaalsContact O-N 3.17Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 2.77Å; L401-S404 PolarHBondContact O-N 3.25Å; L401-S404 PolarHBondContact O-OG 3.34Å; L401-V473 HydrophobicContact CD2-CG1 3.99Å; L401-V473 HydrophobicContact CG-CG1 4.15Å
402	V	95.6	Very high	92.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-48.7	-179.1	176.7	0	0	0	0	110.8	L385 F398 T399 S404 R405 L406 W445 F469 V473 L489	L385-V402 HydrophobicContact CD2-CG1 4.33Å; F398-V402 HydrophobicContact CD1-CG2 4.38Å; F398-V402 HydrophobicContact CD2-CG2 4.18Å; F398-V402 HydrophobicContact CE1-CG2 4.19Å; F398-V402 HydrophobicContact CE2-CG2 3.96Å; F398-V402 HydrophobicContact CG-CG2 4.38Å; F398-V402 HydrophobicContact CZ-CG2 3.99Å; F398-V402 VanDerWaalsContact O-CG2 3.28Å; F398-V402 WeakPolarHBondContact O-CG2 3.39Å; F398-V402 PolarHBondContact O-N 2.94Å; T399-V402 PolarHBondContact O-N 3.13Å; V402-S404 PolarHBondContact O-N 3.05Å; V402-R405 CarbonylContact O-C 3.53Å; V402-R405 WeakPolarHBondContact O-CA 3.34Å; V402-R405 PolarHBondContact O-N 3.15Å; V402-L406 HydrophobicContact CG1-CD2 3.92Å; V402-L406 HydrophobicContact CG1-CG 4.16Å; V402-L406 PolarHBondContact O-N 3Å; V402-W445 HydrophobicContact CB-CH2 3.54Å; V402-W445 HydrophobicContact CB-CZ2 3.81Å; V402-W445 HydrophobicContact CB-CZ3 4.1Å; V402-W445 HydrophobicContact CG1-CD2 4.22Å; V402-W445 HydrophobicContact CG1-CE3 3.9Å; V402-W445 HydrophobicContact CG1-CH2 3.5Å; V402-W445 VanDerWaalsContact CG1-CH2 3.5Å; V402-W445 HydrophobicContact CG1-CZ2 3.79Å; V402-W445 HydrophobicContact CG1-CZ3 3.56Å; V402-W445 HydrophobicContact CG2-CH2 3.92Å; V402-W445 HydrophobicContact CG2-CZ3 4.34Å; V402-F469 HydrophobicContact CG1-CE1 4.32Å; V402-F469 HydrophobicContact CG1-CZ 4.24Å; V402-V473 HydrophobicContact CG2-CG1 4.16Å; V402-L489 HydrophobicContact CG1-CD2 4.23Å; V402-L489 HydrophobicContact CG2-CD1 4.15Å; V402-L489 HydrophobicContact CG2-CD2 3.95Å; V402-L489 HydrophobicContact CG2-CG 4.39Å
403	E	94.9	Very high	92.8	Very high	40 Å²	40	33.7 Å²	33.7	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-35.4	179.1	-72.8	-176.2	174.1	0	0	112.3	F244 T399 R405 L406 H428 W445	F244-E403 HydrophobicContact CE2-CB 4.25Å; F244-E403 HydrophobicContact CE2-CG 4.09Å; F244-E403 HydrophobicContact CZ-CB 4.25Å; F244-E403 HydrophobicContact CZ-CG 3.66Å; T399-E403 HydrophobicContact CG2-CG 4.37Å; T399-E403 WeakPolarHBondContact O-CB 3.21Å; T399-E403 WeakPolarHBondContact O-CG 3.33Å; T399-E403 PolarHBondContact O-N 3.39Å; E403-R405 PolarHBondContact O-N 3.44Å; E403-L406 HydrophobicContact CB-CD1 4.47Å; E403-L406 HydrophobicContact CG-CD1 4.06Å; E403-H428 IonicContact OE1-CE1 3.69Å; E403-H428 IonicContact OE1-CG 2.82Å; E403-H428 IonicContact OE1-ND1 3.93Å; E403-H428 PolarHBondContact OE1-ND1 3.29Å; E403-W445 HydrophobicContact CG-CZ2 3.97Å; E403-W445 PolarHBondContact OE1-NE1 2.8Å
404	S	90.5	Very high	92.9	Very high	42 Å²	42	30.3 Å²	30.3	29%	0.294	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.2	173.8	83.6	0	0	0	0	114	G400 L401 V402 R407	G400-S404 WeakPolarHBondContact O-CB 3.47Å; G400-S404 PolarHBondContact O-N 3.02Å; L401-S404 PolarHBondContact O-N 3.25Å; L401-S404 PolarHBondContact O-OG 3.34Å; V402-S404 PolarHBondContact O-N 3.05Å; S404-R407 PolarHBondContact O-NH1 3.42Å
405	R	92.5	Very high	92.9	Very high	65 Å²	65	38.9 Å²	38.9	25%	0.245	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-13	-176.7	-59.8	-62.1	170.1	-177.1	-2.7	114.8	V402 E403 R407 V408 F469 V473 H476	V402-R405 CarbonylContact O-C 3.53Å; V402-R405 WeakPolarHBondContact O-CA 3.34Å; V402-R405 PolarHBondContact O-N 3.15Å; E403-R405 PolarHBondContact O-N 3.44Å; R405-R407 PolarHBondContact O-N 2.92Å; R405-V408 WeakPolarHBondContact O-CA 3.37Å; R405-V408 VanDerWaalsContact O-CB 3.24Å; R405-V408 WeakPolarHBondContact O-CB 3.41Å; R405-V408 WeakPolarHBondContact O-CG2 3.49Å; R405-V408 PolarHBondContact O-N 3.2Å; R405-F469 HydrophobicContact CB-CE2 3.69Å; R405-F469 HydrophobicContact CB-CZ 4.14Å; R405-F469 WeakPolarHBondContact O-CE2 3.41Å; R405-V473 HydrophobicContact CB-CG2 4.27Å; R405-H476 PolarHBondContact NH2-CD2 3.25Å; R405-H476 PolarHBondContact NH2-CE1 3.07Å; R405-H476 PolarHBondContact NH2-NE2 3.18Å
406	L	95.5	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-49.7	-33.5	-176.9	-74.3	169.9	0	0	0	114.3	F244 L385 V402 E403 V408 L409 V410 L424 W445 F447 F469	F244-L406 HydrophobicContact CD1-CD1 4.06Å; F244-L406 HydrophobicContact CE1-CD1 3.48Å; F244-L406 VanDerWaalsContact CE1-CD1 3.48Å; F244-L406 HydrophobicContact CZ-CD1 4.02Å; L385-L406 HydrophobicContact CD2-CD2 3.7Å; V402-L406 HydrophobicContact CG1-CD2 3.92Å; V402-L406 HydrophobicContact CG1-CG 4.16Å; V402-L406 PolarHBondContact O-N 3Å; E403-L406 HydrophobicContact CB-CD1 4.47Å; E403-L406 HydrophobicContact CG-CD1 4.06Å; L406-V408 PolarHBondContact O-N 2.92Å; L406-L409 WeakPolarHBondContact O-CB 3.44Å; L406-L409 PolarHBondContact O-N 3.1Å; L406-V410 PolarHBondContact O-N 3.37Å; L406-L424 HydrophobicContact CB-CD2 3.72Å; L406-L424 HydrophobicContact CD1-CD1 4.49Å; L406-L424 HydrophobicContact CD1-CD2 4.2Å; L406-L424 HydrophobicContact CG-CD2 4.47Å; L406-W445 HydrophobicContact CD1-CB 4.32Å; L406-W445 VanDerWaalsContact CD1-CD1 3.4Å; L406-W445 HydrophobicContact CD1-CD2 4.13Å; L406-W445 HydrophobicContact CD1-CG 3.68Å; L406-W445 HydrophobicContact CD2-CB 4.42Å; L406-W445 HydrophobicContact CD2-CD2 4.38Å; L406-W445 HydrophobicContact CD2-CG 4.24Å; L406-F447 HydrophobicContact CD2-CZ 3.98Å; L406-F469 HydrophobicContact CD2-CZ 4.24Å
407	R	90.8	Very high	92.4	Very high	63 Å²	63	37.3 Å²	37.3	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-30.3	173.8	72	179.4	-177.8	-74.4	-4.1	114.2	N336 S404 R405 V410 A411	N336-R407 VanDerWaalsContact CG-CD 3.49Å; N336-R407 WeakPolarHBondContact OD1-CD 3.28Å; N336-R407 PolarHBondContact OD1-NE 3.24Å; S404-R407 PolarHBondContact O-NH1 3.42Å; R405-R407 PolarHBondContact O-N 2.92Å; R407-V410 PolarHBondContact O-N 2.99Å; R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.06Å
408	V	91.3	Very high	92.4	Very high	45 Å²	45	34.8 Å²	34.8	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-67.3	-41.2	176.1	-179.5	0	0	0	0	109.9	R405 L406 A411 Q412	R405-V408 WeakPolarHBondContact O-CA 3.37Å; R405-V408 VanDerWaalsContact O-CB 3.24Å; R405-V408 WeakPolarHBondContact O-CB 3.41Å; R405-V408 WeakPolarHBondContact O-CG2 3.49Å; R405-V408 PolarHBondContact O-N 3.2Å; L406-V408 PolarHBondContact O-N 2.92Å; V408-A411 PolarHBondContact O-N 3.35Å; V408-Q412 VanDerWaalsContact O-CG 3.31Å; V408-Q412 WeakPolarHBondContact O-CG 3.39Å; V408-Q412 PolarHBondContact O-N 2.68Å
409	L	95.1	Very high	92.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-41.8	175.2	-177.8	56.7	0	0	0	111.4	L385 L406 A411 Q412 F413 F447 F469	L385-L409 HydrophobicContact CD2-CD2 4.01Å; L406-L409 WeakPolarHBondContact O-CB 3.44Å; L406-L409 PolarHBondContact O-N 3.1Å; L409-A411 VanDerWaalsContact C-N 3.35Å; L409-A411 PolarHBondContact O-N 2.85Å; L409-Q412 WeakPolarHBondContact O-CB 3.31Å; L409-Q412 PolarHBondContact O-N 3.4Å; L409-F413 HydrophobicContact CD1-CD1 4.26Å; L409-F413 HydrophobicContact CD1-CD2 4.28Å; L409-F413 HydrophobicContact CD1-CE1 3.71Å; L409-F413 HydrophobicContact CD1-CE2 3.77Å; L409-F413 HydrophobicContact CD1-CZ 3.46Å; L409-F413 VanDerWaalsContact CD1-CZ 3.46Å; L409-F413 HydrophobicContact CD2-CE2 3.94Å; L409-F413 HydrophobicContact CD2-CZ 4.08Å; L409-F413 HydrophobicContact CG-CD2 4.03Å; L409-F413 HydrophobicContact CG-CE1 4.41Å; L409-F413 HydrophobicContact CG-CE2 3.53Å; L409-F413 HydrophobicContact CG-CZ 3.76Å; L409-F413 WeakPolarHBondContact O-CD2 3.47Å; L409-F413 WeakPolarHBondContact O-CG 3.45Å; L409-F413 PolarHBondContact O-N 3.04Å; L409-F447 HydrophobicContact CD2-CE1 4.45Å; L409-F447 HydrophobicContact CD2-CE2 4.35Å; L409-F447 HydrophobicContact CD2-CZ 3.8Å; L409-F447 HydrophobicContact CG-CZ 4.44Å; L409-F469 HydrophobicContact CB-CB 4.28Å; L409-F469 HydrophobicContact CB-CD1 4.3Å; L409-F469 HydrophobicContact CB-CD2 3.65Å; L409-F469 HydrophobicContact CB-CE2 4Å; L409-F469 HydrophobicContact CB-CG 3.8Å; L409-F469 HydrophobicContact CB-CZ 4.45Å; L409-F469 HydrophobicContact CD1-CB 3.81Å; L409-F469 HydrophobicContact CD1-CG 4.14Å; L409-F469 HydrophobicContact CD2-CD1 3.91Å; L409-F469 HydrophobicContact CD2-CE1 4.23Å; L409-F469 HydrophobicContact CD2-CG 4.17Å; L409-F469 HydrophobicContact CG-CB 4.46Å; L409-F469 HydrophobicContact CG-CD1 4.5Å; L409-F469 HydrophobicContact CG-CG 4.25Å
410	V	95.2	Very high	92	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-50.9	172.4	172.5	0	0	0	0	110.5	T338 L406 R407 Q412 F413 E414 I422 L424 F447	T338-V410 HydrophobicContact CG2-CG1 3.92Å; L406-V410 PolarHBondContact O-N 3.37Å; R407-V410 PolarHBondContact O-N 2.99Å; V410-Q412 VanDerWaalsContact C-N 3.28Å; V410-Q412 PolarHBondContact O-N 2.8Å; V410-F413 PolarHBondContact O-N 3.4Å; V410-E414 WeakPolarHBondContact O-CG 3.26Å; V410-E414 PolarHBondContact O-N 2.97Å; V410-I422 HydrophobicContact CG1-CG2 3.76Å; V410-L424 HydrophobicContact CG2-CB 3.96Å; V410-L424 HydrophobicContact CG2-CD2 3.84Å; V410-F447 HydrophobicContact CG2-CE1 3.95Å
411	A	91.2	Very high	92.2	Very high	27 Å²	27	37.6 Å²	37.6	22%	0.223	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-28.2	179.1	0	0	0	0	0	113.8	R407 V408 L409 R415	R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.06Å; V408-A411 PolarHBondContact O-N 3.35Å; L409-A411 VanDerWaalsContact C-N 3.35Å; L409-A411 PolarHBondContact O-N 2.85Å; A411-R415 WeakPolarHBondContact O-CG 3.36Å
412	Q	92.5	Very high	92.4	Very high	20 Å²	20	37 Å²	37	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-48.5	172.1	-74.2	166.5	-6.6	0	0	110.6	V408 L409 V410 E414 R415 D465	V408-Q412 VanDerWaalsContact O-CG 3.31Å; V408-Q412 WeakPolarHBondContact O-CG 3.39Å; V408-Q412 PolarHBondContact O-N 2.68Å; L409-Q412 WeakPolarHBondContact O-CB 3.31Å; L409-Q412 PolarHBondContact O-N 3.4Å; V410-Q412 VanDerWaalsContact C-N 3.28Å; V410-Q412 PolarHBondContact O-N 2.8Å; Q412-E414 VanDerWaalsContact C-N 3.29Å; Q412-E414 PolarHBondContact O-N 3.43Å; Q412-R415 WeakPolarHBondContact O-CB 3.4Å; Q412-R415 PolarHBondContact O-N 3.5Å; Q412-D465 HydrophobicContact CB-CB 4.37Å; Q412-D465 PolarHBondContact OE1-O 3.32Å
413	F	94.2	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-37.6	176	-68.1	-29	0	0	0	113.1	I383 L409 V410 R415 N416 M419 I422 F447 L462 D465 V466	I383-F413 HydrophobicContact CD1-CE2 4.39Å; I383-F413 HydrophobicContact CD1-CZ 4.07Å; L409-F413 HydrophobicContact CD1-CD1 4.26Å; L409-F413 HydrophobicContact CD1-CD2 4.28Å; L409-F413 HydrophobicContact CD1-CE1 3.71Å; L409-F413 HydrophobicContact CD1-CE2 3.77Å; L409-F413 HydrophobicContact CD1-CZ 3.46Å; L409-F413 VanDerWaalsContact CD1-CZ 3.46Å; L409-F413 HydrophobicContact CD2-CE2 3.94Å; L409-F413 HydrophobicContact CD2-CZ 4.08Å; L409-F413 HydrophobicContact CG-CD2 4.03Å; L409-F413 HydrophobicContact CG-CE1 4.41Å; L409-F413 HydrophobicContact CG-CE2 3.53Å; L409-F413 HydrophobicContact CG-CZ 3.76Å; L409-F413 WeakPolarHBondContact O-CD2 3.47Å; L409-F413 WeakPolarHBondContact O-CG 3.45Å; L409-F413 PolarHBondContact O-N 3.04Å; V410-F413 PolarHBondContact O-N 3.4Å; F413-R415 PolarHBondContact O-N 2.88Å; F413-N416 VanDerWaalsContact O-CB 3.26Å; F413-N416 WeakPolarHBondContact O-CB 3.15Å; F413-N416 PolarHBondContact O-N 3.45Å; F413-N416 VanDerWaalsContact O-N 3.08Å; F413-M419 HydrophobicContact CB-CE 4.43Å; F413-M419 WeakPolarHBondContact O-CB 3.38Å; F413-M419 WeakPolarHBondContact O-CG 3.36Å; F413-I422 HydrophobicContact CB-CB 4.4Å; F413-I422 HydrophobicContact CB-CG1 4.31Å; F413-I422 HydrophobicContact CB-CG2 4.31Å; F413-I422 HydrophobicContact CD2-CD1 3.71Å; F413-I422 HydrophobicContact CD2-CG1 3.86Å; F413-I422 HydrophobicContact CE2-CD1 4.28Å; F413-I422 HydrophobicContact CG-CD1 4.44Å; F413-F447 HydrophobicContact CD2-CD1 4.48Å; F413-F447 HydrophobicContact CE2-CD1 4.27Å; F413-F447 HydrophobicContact CE2-CE1 4.26Å; F413-L462 HydrophobicContact CD1-CD1 4.45Å; F413-L462 HydrophobicContact CD1-CD2 3.86Å; F413-L462 HydrophobicContact CE1-CB 4.03Å; F413-L462 HydrophobicContact CE1-CD1 4.18Å; F413-L462 HydrophobicContact CE1-CD2 4.12Å; F413-L462 HydrophobicContact CE1-CG 4.34Å; F413-D465 HydrophobicContact CD1-CB 3.85Å; F413-D465 HydrophobicContact CE1-CB 3.79Å; F413-V466 HydrophobicContact CE1-CG2 4.1Å; F413-V466 HydrophobicContact CZ-CG2 3.98Å
414	E	92.4	Very high	92.6	Very high	49 Å²	49	35.3 Å²	35.3	23%	0.229	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-28.6	176	-73.7	-174.5	157.6	0	0	114	T338 T339 S340 V410 Q412 N416 I422	T338-E414 WeakPolarHBondContact CB-OE1 3.27Å; T338-E414 PolarHBondContact OG1-OE1 2.99Å; T339-E414 PolarHBondContact N-OE1 3.13Å; T339-E414 VanDerWaalsContact N-OE1 3.08Å; S340-E414 WeakPolarHBondContact CA-OE1 3.23Å; S340-E414 WeakPolarHBondContact CB-OE1 3.49Å; S340-E414 PolarHBondContact N-OE1 2.96Å; S340-E414 WeakPolarHBondContact OG-CG 3.44Å; S340-E414 PolarHBondContact OG-OE1 3.27Å; V410-E414 WeakPolarHBondContact O-CG 3.26Å; V410-E414 PolarHBondContact O-N 2.97Å; Q412-E414 VanDerWaalsContact C-N 3.29Å; Q412-E414 PolarHBondContact O-N 3.43Å; E414-N416 VanDerWaalsContact C-N 3.26Å; E414-I422 HydrophobicContact CG-CG2 3.87Å
415	R	90.8	Very high	92.9	Very high	196 Å²	196	33.3 Å²	33.3	74%	0.74	16%	0.162	S	C	*	.	H	α-helix	trans	-78.1	-15	177.7	-66.7	171.5	-169	159.3	3.3	112.2	A411 Q412 F413 P417	A411-R415 WeakPolarHBondContact O-CG 3.36Å; Q412-R415 WeakPolarHBondContact O-CB 3.4Å; Q412-R415 PolarHBondContact O-N 3.5Å; F413-R415 PolarHBondContact O-N 2.88Å; R415-P417 WeakPolarHBondContact O-CD 3.47Å
416	N	89.8	Confident	93.1	Very high	24 Å²	24	31.4 Å²	31.4	13%	0.128	16%	0.158	C	C	.	.	S	Bend	trans	-69.5	122.4	179.9	-167.8	-58.5	0	0	0	109.9	F413 E414 G418 M419 D461 L462 D465	F413-N416 VanDerWaalsContact O-CB 3.26Å; F413-N416 WeakPolarHBondContact O-CB 3.15Å; F413-N416 PolarHBondContact O-N 3.45Å; F413-N416 VanDerWaalsContact O-N 3.08Å; E414-N416 VanDerWaalsContact C-N 3.26Å; N416-G418 PolarHBondContact O-N 3.45Å; N416-G418 VanDerWaalsContact O-N 3.07Å; N416-G418 PolarHBondContact OD1-N 3.3Å; N416-M419 HydrophobicContact CB-CB 4.17Å; N416-M419 WeakPolarHBondContact O-CB 3.48Å; N416-M419 PolarHBondContact O-N 3.19Å; N416-D461 PolarHBondContact ND2-O 3.3Å; N416-L462 HydrophobicContact CB-CD2 4.34Å; N416-L462 WeakPolarHBondContact ND2-CD2 3.44Å; N416-D465 PolarHBondContact ND2-OD2 3.06Å
417	P	86.7	Confident	93.1	Very high	93 Å²	93	34.8 Å²	34.8	60%	0.604	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25	-176.7	-26.7	35.2	0	0	0	114.8	R415 K452 I457	R415-P417 WeakPolarHBondContact O-CD 3.47Å; P417-K452 WeakPolarHBondContact O-CD 3.27Å; P417-I457 HydrophobicContact CB-CD1 4.32Å
418	G	88.3	Confident	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.7	177.1	0	0	0	0	0	114.4	N416 K452 I460	N416-G418 PolarHBondContact O-N 3.45Å; N416-G418 VanDerWaalsContact O-N 3.07Å; N416-G418 PolarHBondContact OD1-N 3.3Å; G418-K452 PolarHBondContact O-N 3.49Å; G418-I460 WeakPolarHBondContact O-CD1 3.44Å
419	M	89.8	Confident	93.6	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	-176.9	-161.8	64.5	66.2	0	0	110.7	F413 N416 I449 K452 L462	F413-M419 HydrophobicContact CB-CE 4.43Å; F413-M419 WeakPolarHBondContact O-CB 3.38Å; F413-M419 WeakPolarHBondContact O-CG 3.36Å; N416-M419 HydrophobicContact CB-CB 4.17Å; N416-M419 WeakPolarHBondContact O-CB 3.48Å; N416-M419 PolarHBondContact O-N 3.19Å; M419-I449 HydrophobicContact CE-CG1 4.5Å; M419-I449 HydrophobicContact CE-CG2 4.06Å; M419-I449 HydrophobicContact SD-CB 4.41Å; M419-I449 HydrophobicContact SD-CG1 4.35Å; M419-I449 HydrophobicContact SD-CG2 3.48Å; M419-I449 WeakPolarHBondContact SD-CG2 3.48Å; M419-K452 WeakPolarHBondContact O-CE 3.33Å; M419-K452 PolarHBondContact O-NZ 2.79Å; M419-L462 HydrophobicContact CE-CD1 3.92Å; M419-L462 HydrophobicContact CE-CD2 3.98Å
420	D	92.3	Very high	93.6	Very high	96 Å²	96	38.3 Å²	38.3	51%	0.513	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-48.2	172.3	-156.4	40	0	0	0	111.3	E450 K452	D420-E450 HydrophobicContact CB-CB 4.36Å; D420-E450 WeakPolarHBondContact CB-O 3.32Å; D420-E450 PolarHBondContact N-O 3.22Å; D420-K452 HydrophobicContact CB-CG 3.59Å; D420-K452 WeakPolarHBondContact OD1-CE 3.42Å; D420-K452 WeakPolarHBondContact OD1-CG 3.05Å
421	L	95.2	Very high	93.5	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.6	179.4	-173.7	77.7	0	0	0	110.1	T343 I344 Y379 E450	T343-L421 HydrophobicContact CG2-CD1 4.04Å; I344-L421 HydrophobicContact CD1-CD1 4.45Å; I344-L421 HydrophobicContact CG1-CD1 4.27Å; I344-L421 HydrophobicContact CG1-CD2 4.19Å; Y379-L421 HydrophobicContact CE1-CD2 4.15Å; L421-E450 HydrophobicContact CB-CB 3.97Å; L421-E450 HydrophobicContact CB-CG 4.18Å; L421-E450 HydrophobicContact CD2-CG 4.35Å; L421-E450 PolarHBondContact N-O 3.36Å; L421-E450 PolarHBondContact O-N 3.4Å
422	I	96.6	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.9	169.1	-177.2	77.4	0	0	0	110.2	S340 V410 F413 E414 F447 I449	S340-I422 WeakPolarHBondContact CB-O 3.48Å; S340-I422 VanDerWaalsContact OG-CG2 3.31Å; S340-I422 WeakPolarHBondContact OG-CG2 3.38Å; S340-I422 PolarHBondContact OG-N 3.36Å; V410-I422 HydrophobicContact CG1-CG2 3.76Å; F413-I422 HydrophobicContact CB-CB 4.4Å; F413-I422 HydrophobicContact CB-CG1 4.31Å; F413-I422 HydrophobicContact CB-CG2 4.31Å; F413-I422 HydrophobicContact CD2-CD1 3.71Å; F413-I422 HydrophobicContact CD2-CG1 3.86Å; F413-I422 HydrophobicContact CE2-CD1 4.28Å; F413-I422 HydrophobicContact CG-CD1 4.44Å; E414-I422 HydrophobicContact CG-CG2 3.87Å; I422-F447 HydrophobicContact CD1-CB 3.68Å; I422-F447 HydrophobicContact CD1-CD1 3.83Å; I422-F447 HydrophobicContact CD1-CG 4.17Å; I422-F447 HydrophobicContact CG1-CB 4.48Å; I422-F447 HydrophobicContact CG1-CD1 3.84Å; I422-I449 HydrophobicContact CD1-CD1 4.41Å; I422-I449 HydrophobicContact CD1-CG1 3.69Å
423	H	97.5	Very high	93.1	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	97.5	179.8	-170.4	155.2	0	0	0	109.9	Y246 I344 F375 Y379 F447 G448	Y246-H423 PolarHBondContact OH-CD2 3.03Å; I344-H423 HydrophobicContact CD1-CB 3.62Å; I344-H423 VanDerWaalsContact CD1-CG 3.45Å; F375-H423 AromaticContact CD2-CD2 3.68Å; F375-H423 AromaticContact CD2-CE1 3.67Å; F375-H423 AromaticContact CD2-CG 3.77Å; F375-H423 AromaticContact CD2-ND1 3.74Å; F375-H423 AromaticContact CD2-NE2 3.6Å; F375-H423 HydrophobicContact CE2-CB 3.97Å; F375-H423 AromaticContact CE2-CD2 3.49Å; F375-H423 VanDerWaalsContact CE2-CD2 3.49Å; F375-H423 WeakPolarHBondContact CE2-CD2 3.3Å; F375-H423 AromaticContact CE2-CG 3.54Å; F375-H423 AromaticContact CE2-ND1 3.99Å; F375-H423 AromaticContact CE2-NE2 3.92Å; F375-H423 WeakPolarHBondContact CE2-O 3.45Å; Y379-H423 HydrophobicContact CE1-CB 4.36Å; Y379-H423 HydrophobicContact CE2-CB 3.72Å; Y379-H423 AromaticContact CE2-CG 3.8Å; Y379-H423 AromaticContact CE2-ND1 3.4Å; Y379-H423 WeakPolarHBondContact CE2-ND1 3.4Å; Y379-H423 AromaticContact CZ-CG 3.86Å; Y379-H423 AromaticContact CZ-ND1 3.41Å; Y379-H423 WeakPolarHBondContact OH-CB 3.37Å; Y379-H423 PolarHBondContact OH-ND1 3.35Å; H423-F447 CarbonylContact O-C 3.6Å; H423-F447 VanDerWaalsContact O-CA 3.3Å; H423-F447 WeakPolarHBondContact O-CA 3.1Å; H423-G448 PolarHBondContact N-O 3.4Å; H423-G448 PolarHBondContact O-N 3.3Å
424	L	97.5	Very high	92.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.8	170.7	171.8	59.1	0	0	0	110.3	F244 Y246 L406 V410 W445 F447	F244-L424 HydrophobicContact CB-CD2 4.44Å; F244-L424 HydrophobicContact CD1-CD1 4.25Å; F244-L424 HydrophobicContact CD1-CD2 3.53Å; F244-L424 HydrophobicContact CD1-CG 3.75Å; F244-L424 HydrophobicContact CE1-CD1 4.39Å; F244-L424 HydrophobicContact CE1-CD2 4.27Å; F244-L424 HydrophobicContact CE1-CG 4.37Å; F244-L424 HydrophobicContact CG-CD2 4.4Å; Y246-L424 VanDerWaalsContact CE2-O 3.26Å; Y246-L424 WeakPolarHBondContact CE2-O 3.5Å; Y246-L424 PolarHBondContact OH-O 3.05Å; L406-L424 HydrophobicContact CB-CD2 3.72Å; L406-L424 HydrophobicContact CD1-CD1 4.49Å; L406-L424 HydrophobicContact CD1-CD2 4.2Å; L406-L424 HydrophobicContact CG-CD2 4.47Å; V410-L424 HydrophobicContact CG2-CB 3.96Å; V410-L424 HydrophobicContact CG2-CD2 3.84Å; L424-W445 HydrophobicContact CD1-CB 4.35Å; L424-F447 HydrophobicContact CB-CD1 3.83Å; L424-F447 HydrophobicContact CB-CE1 3.88Å; L424-F447 HydrophobicContact CD1-CD1 3.95Å; L424-F447 HydrophobicContact CD1-CD2 4.34Å; L424-F447 HydrophobicContact CD1-CE1 3.65Å; L424-F447 HydrophobicContact CD1-CE2 4.04Å; L424-F447 HydrophobicContact CD1-CG 4.3Å; L424-F447 HydrophobicContact CD1-CZ 3.7Å; L424-F447 HydrophobicContact CD2-CE1 4.09Å; L424-F447 HydrophobicContact CD2-CZ 4.45Å; L424-F447 HydrophobicContact CG-CD1 4.37Å; L424-F447 HydrophobicContact CG-CE1 4.06Å
425	I	95.8	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.2	172.2	-159.6	169.8	0	0	0	110.8	R238 F244 F375 F376 E427 F429 L446	R238-I425 VanDerWaalsContact CZ-CD1 3.43Å; R238-I425 VanDerWaalsContact NH1-CD1 3.31Å; F244-I425 WeakPolarHBondContact CD1-O 3.47Å; F244-I425 WeakPolarHBondContact CE1-O 3.03Å; F375-I425 HydrophobicContact CD1-CD1 3.93Å; F375-I425 HydrophobicContact CE1-CB 4.32Å; F375-I425 HydrophobicContact CE1-CD1 4.1Å; F375-I425 HydrophobicContact CE2-CB 4.47Å; F375-I425 HydrophobicContact CG-CD1 4.4Å; F375-I425 HydrophobicContact CZ-CB 4.15Å; F376-I425 HydrophobicContact CE1-CD1 4.31Å; F376-I425 HydrophobicContact CZ-CD1 4.1Å; I425-E427 HydrophobicContact CD1-CG 4.2Å; I425-E427 HydrophobicContact CG1-CG 4.09Å; I425-E427 HydrophobicContact CG2-CG 4.46Å; I425-E427 WeakPolarHBondContact CG2-O 3.06Å; I425-E427 PolarHBondContact O-N 3.25Å; I425-F429 HydrophobicContact CD1-CE2 3.92Å; I425-F429 HydrophobicContact CD1-CZ 3.68Å; I425-F429 HydrophobicContact CG2-CE2 3.86Å; I425-L446 HydrophobicContact CG2-CB 4.03Å; I425-L446 VanDerWaalsContact CG2-O 3.27Å; I425-L446 WeakPolarHBondContact CG2-O 3.41Å; I425-L446 PolarHBondContact N-O 2.91Å; I425-L446 VanDerWaalsContact N-O 3.13Å
426	P	96.4	Very high	90.3	Very high	26 Å²	26	46.5 Å²	46.5	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	42	-176.1	36.1	-37.5	0	0	0	113.6	R238 F244 Y246	R238-P426 HydrophobicContact CB-CG 4.14Å; R238-P426 WeakPolarHBondContact O-CD 3.3Å; R238-P426 VanDerWaalsContact O-CG 3.27Å; R238-P426 WeakPolarHBondContact O-CG 3.45Å; F244-P426 HydrophobicContact CB-CB 4.06Å; F244-P426 VanDerWaalsContact CD1-CA 3.5Å; F244-P426 HydrophobicContact CD1-CB 4.27Å; F244-P426 HydrophobicContact CD2-CB 4.32Å; F244-P426 HydrophobicContact CG-CB 3.98Å; Y246-P426 HydrophobicContact CD2-CB 4.24Å; Y246-P426 HydrophobicContact CE2-CB 4.37Å; Y246-P426 HydrophobicContact CE2-CG 4.45Å
427	E	95.2	Very high	89.5	Confident	70 Å²	70	52 Å²	52	33%	0.327	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.8	176.4	65.9	-165.8	163.8	0	0	110.6	R238 I425 F429	R238-E427 IonicContact CZ-OE1 3.78Å; R238-E427 IonicContact NE-OE1 3.98Å; R238-E427 PolarHBondContact NE-OE1 3.49Å; R238-E427 IonicContact NH2-OE1 3.38Å; R238-E427 PolarHBondContact NH2-OE1 2.92Å; I425-E427 HydrophobicContact CD1-CG 4.2Å; I425-E427 HydrophobicContact CG1-CG 4.09Å; I425-E427 HydrophobicContact CG2-CG 4.46Å; I425-E427 WeakPolarHBondContact CG2-O 3.06Å; I425-E427 PolarHBondContact O-N 3.25Å; E427-F429 HydrophobicContact CG-CE1 4.12Å; E427-F429 HydrophobicContact CG-CE2 3.97Å; E427-F429 HydrophobicContact CG-CZ 3.56Å; E427-F429 WeakPolarHBondContact OE1-CZ 3.23Å
428	H	96.8	Very high	88.9	Confident	78 Å²	78	49.6 Å²	49.6	36%	0.361	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	158.7	169.6	60.7	-94.4	0	0	0	111.1	T399 E403 V443 F444 W445	T399-H428 VanDerWaalsContact CG2-CE1 3.45Å; T399-H428 WeakPolarHBondContact CG2-CE1 3.32Å; T399-H428 WeakPolarHBondContact CG2-ND1 3.44Å; E403-H428 IonicContact OE1-CE1 3.69Å; E403-H428 IonicContact OE1-CG 2.82Å; E403-H428 IonicContact OE1-ND1 3.93Å; E403-H428 PolarHBondContact OE1-ND1 3.29Å; H428-V443 HydrophobicContact CB-CB 4.44Å; H428-F444 CarbonylContact C-O 3.54Å; H428-F444 WeakPolarHBondContact CA-O 3.38Å; H428-W445 HydrophobicContact CB-CD2 4.45Å; H428-W445 HydrophobicContact CB-CG 4.37Å
429	F	96.6	Very high	88.3	Confident	16 Å²	16	57 Å²	57	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.9	-179.4	-59	-81.5	0	0	0	111.1	F376 I425 E427 V443 F444 L446 L503 I507	F376-F429 HydrophobicContact CE1-CZ 4.38Å; F376-F429 HydrophobicContact CZ-CE1 4.44Å; F376-F429 AromaticContact CZ-CZ 3.98Å; F376-F429 HydrophobicContact CZ-CZ 3.98Å; I425-F429 HydrophobicContact CD1-CE2 3.92Å; I425-F429 HydrophobicContact CD1-CZ 3.68Å; I425-F429 HydrophobicContact CG2-CE2 3.86Å; E427-F429 HydrophobicContact CG-CE1 4.12Å; E427-F429 HydrophobicContact CG-CE2 3.97Å; E427-F429 HydrophobicContact CG-CZ 3.56Å; E427-F429 WeakPolarHBondContact OE1-CZ 3.23Å; F429-V443 CarbonylContact O-C 3.46Å; F429-V443 WeakPolarHBondContact O-CA 3.17Å; F429-F444 HydrophobicContact CB-CD1 4.03Å; F429-F444 HydrophobicContact CB-CD2 4.46Å; F429-F444 HydrophobicContact CB-CE1 3.47Å; F429-F444 VanDerWaalsContact CB-CE1 3.47Å; F429-F444 HydrophobicContact CB-CE2 3.97Å; F429-F444 HydrophobicContact CB-CG 4.49Å; F429-F444 HydrophobicContact CB-CZ 3.46Å; F429-F444 VanDerWaalsContact CB-CZ 3.46Å; F429-F444 HydrophobicContact CD2-CE2 4.01Å; F429-F444 HydrophobicContact CD2-CZ 4.27Å; F429-F444 HydrophobicContact CG-CE2 4.34Å; F429-F444 HydrophobicContact CG-CZ 4.13Å; F429-F444 PolarHBondContact N-O 3.08Å; F429-F444 VanDerWaalsContact O-CD1 3.31Å; F429-F444 WeakPolarHBondContact O-CD1 3.49Å; F429-F444 PolarHBondContact O-N 3.47Å; F429-L446 HydrophobicContact CE2-CB 4.43Å; F429-L503 HydrophobicContact CB-CD2 3.87Å; F429-L503 HydrophobicContact CD1-CD2 3.63Å; F429-L503 HydrophobicContact CD2-CD2 4.21Å; F429-L503 HydrophobicContact CE1-CD2 4.23Å; F429-L503 HydrophobicContact CG-CD2 3.63Å; F429-I507 HydrophobicContact CD1-CD1 3.95Å; F429-I507 HydrophobicContact CE1-CD1 4.04Å; F429-I507 HydrophobicContact CE1-CG2 4.15Å
430	V	94.4	Very high	88.1	Confident	89 Å²	89	58.1 Å²	58.1	54%	0.539	32%	0.323	S	S	.	.			trans	-96.6	129.1	167.2	-178.7	0	0	0	0	107.9	V443	V430-V443 HydrophobicContact CG2-CG1 4.31Å
431	P	93.8	Very high	88.1	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.039	31%	0.313	C	S	.	.			trans	-70.7	137.9	-178.3	28.4	-32.7	0	0	0	111.9	M386 E442 F444 L502	M386-P431 HydrophobicContact CE-CG 4.16Å; P431-E442 HydrophobicContact CG-CG 3.57Å; P431-E442 VanDerWaalsContact CG-OE1 3.23Å; P431-E442 WeakPolarHBondContact CG-OE1 3.31Å; P431-F444 HydrophobicContact CB-CD1 4.19Å; P431-F444 HydrophobicContact CB-CE1 3.99Å; P431-F444 HydrophobicContact CG-CD1 4.45Å; P431-L502 WeakPolarHBondContact CA-O 3.42Å; P431-L502 HydrophobicContact CB-CD2 4.02Å
432	I	91.9	Very high	88	Confident	80 Å²	80	57.9 Å²	57.9	41%	0.41	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.6	-179.6	64.3	177.5	0	0	0	113.4	R434 L502 P504	I432-R434 PolarHBondContact O-N 3.41Å; I432-L502 PolarHBondContact N-O 2.97Å; I432-P504 HydrophobicContact CG2-CB 4.04Å; I432-P504 HydrophobicContact CG2-CG 4.22Å
433	N	83.4	Confident	88	Confident	115 Å²	115	58.1 Å²	58.1	62%	0.615	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	23.5	-177.3	-74.3	-12.7	0	0	0	112.3	D435 T501	N433-D435 PolarHBondContact O-N 3.01Å; N433-T501 VanDerWaalsContact CG-O 3.3Å; N433-T501 PolarHBondContact ND2-O 3.05Å
434	R	75.7	Confident	88	Confident	61 Å²	61	57.9 Å²	57.9	23%	0.23	32%	0.318	C	S	.	.			trans	-64.2	131.2	176.7	-179.2	173.5	172.6	-141.9	-15.7	109.2	I432 P436 G440 K441 E442	I432-R434 PolarHBondContact O-N 3.41Å; R434-P436 WeakPolarHBondContact O-CD 3.28Å; R434-G440 PolarHBondContact NE-O 3.39Å; R434-G440 PolarHBondContact NH2-O 3.35Å; R434-K441 VanDerWaalsContact NH2-NZ 3.19Å; R434-E442 HydrophobicContact CG-CG 4.47Å
435	D	72.6	Confident	88	Confident	88 Å²	88	57.9 Å²	57.9	47%	0.471	32%	0.318	S	S	.	.			trans	-63.8	115.2	168.1	-177.7	-3.3	0	0	0	108.7	N433 N437 A438	N433-D435 PolarHBondContact O-N 3.01Å; D435-N437 PolarHBondContact O-N 3Å; D435-N437 WeakPolarHBondContact OD1-CB 3.4Å; D435-N437 PolarHBondContact OD1-N 3.07Å; D435-A438 HydrophobicContact CB-CB 3.94Å; D435-A438 PolarHBondContact O-N 3.47Å; D435-A438 VanDerWaalsContact O-N 3.14Å
436	P	69.8	Low	88.1	Confident	116 Å²	116	57.9 Å²	57.9	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.9	178.8	-20.7	33.1	0	0	0	112.6	R434	R434-P436 WeakPolarHBondContact O-CD 3.28Å
437	N	72.6	Confident	88.2	Confident	140 Å²	140	56.7 Å²	56.7	75%	0.749	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-5.5	-178.1	-58.4	-38.7	0	0	0	113.2	D435 D439	D435-N437 PolarHBondContact O-N 3Å; D435-N437 WeakPolarHBondContact OD1-CB 3.4Å; D435-N437 PolarHBondContact OD1-N 3.07Å; N437-D439 PolarHBondContact O-N 2.57Å
438	A	74.2	Confident	88.3	Confident	41 Å²	41	53.3 Å²	53.3	34%	0.339	29%	0.294	S	S	.	.			trans	-70.7	122.7	173.8	0	0	0	0	0	109.8	D435 G440	D435-A438 HydrophobicContact CB-CB 3.94Å; D435-A438 PolarHBondContact O-N 3.47Å; D435-A438 VanDerWaalsContact O-N 3.14Å; A438-G440 PolarHBondContact O-N 2.76Å; A438-G440 VanDerWaalsContact O-N 3.16Å
439	D	77	Confident	88.2	Confident	155 Å²	155	50.1 Å²	50.1	83%	0.829	28%	0.28	S	S	*	.	S	Bend	trans	-55.2	-33.9	178.5	-68.5	-36.7	0	0	0	112	N437	N437-D439 PolarHBondContact O-N 2.57Å
440	G	85.7	Confident	88	Confident	29 Å²	29	52.5 Å²	52.5	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	-72.9	153.4	-179.1	0	0	0	0	0	115.1	A389 R434 A438	A389-G440 CarbonylContact O-C 3.51Å; A389-G440 WeakPolarHBondContact O-CA 3.45Å; R434-G440 PolarHBondContact NE-O 3.39Å; R434-G440 PolarHBondContact NH2-O 3.35Å; A438-G440 PolarHBondContact O-N 2.76Å; A438-G440 VanDerWaalsContact O-N 3.16Å
441	K	91.6	Very high	87.8	Confident	69 Å²	69	51.5 Å²	51.5	30%	0.3	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	147.5	167.6	-50.9	-64.8	165.1	-166.6	0	109.6	Y388 A389 A392 L395 R434	Y388-K441 WeakPolarHBondContact CA-O 3.48Å; A389-K441 PolarHBondContact N-O 3.47Å; A389-K441 PolarHBondContact O-N 2.98Å; A392-K441 HydrophobicContact CB-CG 4.37Å; L395-K441 HydrophobicContact CB-CB 4.08Å; L395-K441 HydrophobicContact CD1-CB 4.41Å; L395-K441 HydrophobicContact CD2-CB 3.53Å; L395-K441 HydrophobicContact CG-CB 4.21Å; R434-K441 VanDerWaalsContact NH2-NZ 3.19Å
442	E	93.9	Very high	87.4	Confident	31 Å²	31	54.9 Å²	54.9	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.1	179.2	60.2	177.1	168.3	0	0	112.3	G387 Y388 P431 R434	G387-E442 CarbonylContact O-C 3.53Å; G387-E442 WeakPolarHBondContact O-CA 3.3Å; G387-E442 WeakPolarHBondContact O-CB 3.34Å; Y388-E442 HydrophobicContact CD1-CB 3.78Å; Y388-E442 HydrophobicContact CE1-CB 3.89Å; Y388-E442 WeakPolarHBondContact CE1-OE2 3.28Å; Y388-E442 PolarHBondContact OH-OE2 2.89Å; P431-E442 HydrophobicContact CG-CG 3.57Å; P431-E442 VanDerWaalsContact CG-OE1 3.23Å; P431-E442 WeakPolarHBondContact CG-OE1 3.31Å; R434-E442 HydrophobicContact CG-CG 4.47Å
443	V	96.4	Very high	86.6	Confident	5 Å²	5	61 Å²	61	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	167	169.1	-66.4	0	0	0	0	108.8	G387 L395 H428 F429 V430 W445	G387-V443 PolarHBondContact N-O 2.95Å; G387-V443 PolarHBondContact O-N 3.01Å; L395-V443 HydrophobicContact CD1-CG2 4.14Å; L395-V443 HydrophobicContact CD2-CG1 3.69Å; L395-V443 HydrophobicContact CG-CG1 4.25Å; H428-V443 HydrophobicContact CB-CB 4.44Å; F429-V443 CarbonylContact O-C 3.46Å; F429-V443 WeakPolarHBondContact O-CA 3.17Å; V430-V443 HydrophobicContact CG2-CG1 4.31Å; V443-W445 HydrophobicContact CG2-CH2 3.82Å; V443-W445 HydrophobicContact CG2-CZ2 4.23Å; V443-W445 HydrophobicContact CG2-CZ3 4.22Å
444	F	97.3	Very high	85.9	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.3	170	69	-82.9	0	0	0	113.5	A384 L385 M386 H428 F429 P431 L446 L502 L503	A384-F444 HydrophobicContact CB-CD2 3.98Å; L385-F444 CarbonylContact O-C 3.58Å; L385-F444 WeakPolarHBondContact O-CA 3.4Å; L385-F444 WeakPolarHBondContact O-CB 3.43Å; M386-F444 HydrophobicContact CE-CB 3.9Å; M386-F444 HydrophobicContact CE-CD1 4.21Å; M386-F444 HydrophobicContact CE-CG 4.35Å; M386-F444 HydrophobicContact SD-CB 3.51Å; M386-F444 VanDerWaalsContact SD-CB 3.51Å; M386-F444 HydrophobicContact SD-CD1 4.42Å; M386-F444 HydrophobicContact SD-CG 4.04Å; H428-F444 CarbonylContact C-O 3.54Å; H428-F444 WeakPolarHBondContact CA-O 3.38Å; F429-F444 HydrophobicContact CB-CD1 4.03Å; F429-F444 HydrophobicContact CB-CD2 4.46Å; F429-F444 HydrophobicContact CB-CE1 3.47Å; F429-F444 VanDerWaalsContact CB-CE1 3.47Å; F429-F444 HydrophobicContact CB-CE2 3.97Å; F429-F444 HydrophobicContact CB-CG 4.49Å; F429-F444 HydrophobicContact CB-CZ 3.46Å; F429-F444 VanDerWaalsContact CB-CZ 3.46Å; F429-F444 HydrophobicContact CD2-CE2 4.01Å; F429-F444 HydrophobicContact CD2-CZ 4.27Å; F429-F444 HydrophobicContact CG-CE2 4.34Å; F429-F444 HydrophobicContact CG-CZ 4.13Å; F429-F444 PolarHBondContact N-O 3.08Å; F429-F444 VanDerWaalsContact O-CD1 3.31Å; F429-F444 WeakPolarHBondContact O-CD1 3.49Å; F429-F444 PolarHBondContact O-N 3.47Å; P431-F444 HydrophobicContact CB-CD1 4.19Å; P431-F444 HydrophobicContact CB-CE1 3.99Å; P431-F444 HydrophobicContact CG-CD1 4.45Å; F444-L446 HydrophobicContact CE2-CB 4.45Å; F444-L446 HydrophobicContact CE2-CD1 4.49Å; F444-L502 HydrophobicContact CE1-CB 4.11Å; F444-L502 HydrophobicContact CE2-CB 4.4Å; F444-L502 HydrophobicContact CE2-CD1 4.31Å; F444-L502 HydrophobicContact CZ-CB 3.76Å; F444-L502 HydrophobicContact CZ-CD1 4.35Å; F444-L503 HydrophobicContact CE1-CD2 4.5Å; F444-L503 HydrophobicContact CE2-CD2 4.3Å; F444-L503 HydrophobicContact CE2-CG 4.44Å; F444-L503 HydrophobicContact CZ-CD2 3.59Å; F444-L503 HydrophobicContact CZ-CG 3.89Å
445	W	97.9	Very high	85	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.1	169.9	-58.5	-88.3	0	0	0	109.4	F244 A384 L385 T399 V402 E403 L406 L424 H428 V443 F447 L489	F244-W445 AromaticContact CE1-CD1 3.98Å; A384-W445 CarbonylContact C-O 3.53Å; A384-W445 WeakPolarHBondContact CA-O 3.44Å; L385-W445 HydrophobicContact CB-CE3 4.44Å; L385-W445 HydrophobicContact CD2-CE3 4.1Å; L385-W445 HydrophobicContact CG-CE3 4.23Å; L385-W445 PolarHBondContact N-O 3.38Å; L385-W445 PolarHBondContact O-N 2.67Å; T399-W445 HydrophobicContact CG2-CZ2 3.96Å; V402-W445 HydrophobicContact CB-CH2 3.54Å; V402-W445 HydrophobicContact CB-CZ2 3.81Å; V402-W445 HydrophobicContact CB-CZ3 4.1Å; V402-W445 HydrophobicContact CG1-CD2 4.22Å; V402-W445 HydrophobicContact CG1-CE3 3.9Å; V402-W445 HydrophobicContact CG1-CH2 3.5Å; V402-W445 VanDerWaalsContact CG1-CH2 3.5Å; V402-W445 HydrophobicContact CG1-CZ2 3.79Å; V402-W445 HydrophobicContact CG1-CZ3 3.56Å; V402-W445 HydrophobicContact CG2-CH2 3.92Å; V402-W445 HydrophobicContact CG2-CZ3 4.34Å; E403-W445 HydrophobicContact CG-CZ2 3.97Å; E403-W445 PolarHBondContact OE1-NE1 2.8Å; L406-W445 HydrophobicContact CD1-CB 4.32Å; L406-W445 VanDerWaalsContact CD1-CD1 3.4Å; L406-W445 HydrophobicContact CD1-CD2 4.13Å; L406-W445 HydrophobicContact CD1-CG 3.68Å; L406-W445 HydrophobicContact CD2-CB 4.42Å; L406-W445 HydrophobicContact CD2-CD2 4.38Å; L406-W445 HydrophobicContact CD2-CG 4.24Å; L424-W445 HydrophobicContact CD1-CB 4.35Å; H428-W445 HydrophobicContact CB-CD2 4.45Å; H428-W445 HydrophobicContact CB-CG 4.37Å; V443-W445 HydrophobicContact CG2-CH2 3.82Å; V443-W445 HydrophobicContact CG2-CZ2 4.23Å; V443-W445 HydrophobicContact CG2-CZ3 4.22Å; W445-F447 HydrophobicContact CB-CE2 4.29Å; W445-L489 HydrophobicContact CZ3-CD2 4.03Å
446	L	97.7	Very high	84.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.7	-173.9	-167	65.8	0	0	0	111.3	F375 F376 Y382 A384 I425 F429 F444 L494 L499 L503	F375-L446 HydrophobicContact CE1-CD2 3.8Å; F375-L446 HydrophobicContact CE1-CG 4.08Å; F375-L446 HydrophobicContact CZ-CG 4.45Å; F376-L446 HydrophobicContact CD1-CD2 4.13Å; F376-L446 HydrophobicContact CE1-CD2 3.91Å; Y382-L446 HydrophobicContact CD1-CD1 4.32Å; Y382-L446 HydrophobicContact CD1-CD2 4.22Å; Y382-L446 HydrophobicContact CD1-CG 4.08Å; A384-L446 HydrophobicContact CB-CD1 4.15Å; I425-L446 HydrophobicContact CG2-CB 4.03Å; I425-L446 VanDerWaalsContact CG2-O 3.27Å; I425-L446 WeakPolarHBondContact CG2-O 3.41Å; I425-L446 PolarHBondContact N-O 2.91Å; I425-L446 VanDerWaalsContact N-O 3.13Å; F429-L446 HydrophobicContact CE2-CB 4.43Å; F444-L446 HydrophobicContact CE2-CB 4.45Å; F444-L446 HydrophobicContact CE2-CD1 4.49Å; L446-L494 HydrophobicContact CD1-CD1 4.48Å; L446-L499 HydrophobicContact CD1-CD2 3.97Å; L446-L499 HydrophobicContact CD2-CD2 3.88Å; L446-L503 HydrophobicContact CD2-CD1 4Å
447	F	97.7	Very high	84.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.1	178.1	-58.9	-105.4	0	0	0	109.3	Y382 I383 L385 L406 L409 V410 F413 I422 H423 L424 W445	Y382-F447 CarbonylContact C-O 3.53Å; Y382-F447 WeakPolarHBondContact CA-O 3.31Å; Y382-F447 WeakPolarHBondContact CB-O 3.44Å; Y382-F447 WeakPolarHBondContact CD1-O 3.46Å; I383-F447 HydrophobicContact CB-CB 4.3Å; I383-F447 HydrophobicContact CG2-CD2 4.46Å; I383-F447 PolarHBondContact N-O 3.47Å; I383-F447 WeakPolarHBondContact O-CD2 3.39Å; I383-F447 PolarHBondContact O-N 3.29Å; L385-F447 HydrophobicContact CB-CE2 3.93Å; L406-F447 HydrophobicContact CD2-CZ 3.98Å; L409-F447 HydrophobicContact CD2-CE1 4.45Å; L409-F447 HydrophobicContact CD2-CE2 4.35Å; L409-F447 HydrophobicContact CD2-CZ 3.8Å; L409-F447 HydrophobicContact CG-CZ 4.44Å; V410-F447 HydrophobicContact CG2-CE1 3.95Å; F413-F447 HydrophobicContact CD2-CD1 4.48Å; F413-F447 HydrophobicContact CE2-CD1 4.27Å; F413-F447 HydrophobicContact CE2-CE1 4.26Å; I422-F447 HydrophobicContact CD1-CB 3.68Å; I422-F447 HydrophobicContact CD1-CD1 3.83Å; I422-F447 HydrophobicContact CD1-CG 4.17Å; I422-F447 HydrophobicContact CG1-CB 4.48Å; I422-F447 HydrophobicContact CG1-CD1 3.84Å; H423-F447 CarbonylContact O-C 3.6Å; H423-F447 VanDerWaalsContact O-CA 3.3Å; H423-F447 WeakPolarHBondContact O-CA 3.1Å; L424-F447 HydrophobicContact CB-CD1 3.83Å; L424-F447 HydrophobicContact CB-CE1 3.88Å; L424-F447 HydrophobicContact CD1-CD1 3.95Å; L424-F447 HydrophobicContact CD1-CD2 4.34Å; L424-F447 HydrophobicContact CD1-CE1 3.65Å; L424-F447 HydrophobicContact CD1-CE2 4.04Å; L424-F447 HydrophobicContact CD1-CG 4.3Å; L424-F447 HydrophobicContact CD1-CZ 3.7Å; L424-F447 HydrophobicContact CD2-CE1 4.09Å; L424-F447 HydrophobicContact CD2-CZ 4.45Å; L424-F447 HydrophobicContact CG-CD1 4.37Å; L424-F447 HydrophobicContact CG-CE1 4.06Å; W445-F447 HydrophobicContact CB-CE2 4.29Å
448	G	97.4	Very high	83.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.3	166.6	0	0	0	0	0	110.7	H423	H423-G448 PolarHBondContact N-O 3.4Å; H423-G448 PolarHBondContact O-N 3.3Å
449	I	94.7	Very high	83.8	Confident	10 Å²	10	71.6 Å²	71.6	5%	0.051	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.3	-170.4	-66.9	163	0	0	0	111.5	H381 I383 M419 I422 I451	H381-I449 HydrophobicContact CB-CB 4.18Å; H381-I449 PolarHBondContact O-N 2.96Å; I383-I449 HydrophobicContact CB-CD1 4.23Å; I383-I449 HydrophobicContact CD1-CD1 3.33Å; I383-I449 HydrophobicContact CG1-CD1 3.45Å; I383-I449 VanDerWaalsContact CG1-CD1 3.45Å; M419-I449 HydrophobicContact CE-CG1 4.5Å; M419-I449 HydrophobicContact CE-CG2 4.06Å; M419-I449 HydrophobicContact SD-CB 4.41Å; M419-I449 HydrophobicContact SD-CG1 4.35Å; M419-I449 HydrophobicContact SD-CG2 3.48Å; M419-I449 WeakPolarHBondContact SD-CG2 3.48Å; I422-I449 HydrophobicContact CD1-CD1 4.41Å; I422-I449 HydrophobicContact CD1-CG1 3.69Å; I449-I451 HydrophobicContact CG2-CG1 3.93Å
450	E	93.2	Very high	84	Confident	67 Å²	67	66.2 Å²	66.2	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	162.3	-54.5	-168.3	-167.6	0	0	110.3	Y379 D420 L421	Y379-E450 HydrophobicContact CD1-CG 3.65Å; Y379-E450 HydrophobicContact CE1-CG 3.58Å; Y379-E450 VanDerWaalsContact CE1-OE1 3.24Å; Y379-E450 WeakPolarHBondContact CE1-OE1 3.39Å; D420-E450 HydrophobicContact CB-CB 4.36Å; D420-E450 WeakPolarHBondContact CB-O 3.32Å; D420-E450 PolarHBondContact N-O 3.22Å; L421-E450 HydrophobicContact CB-CB 3.97Å; L421-E450 HydrophobicContact CB-CG 4.18Å; L421-E450 HydrophobicContact CD2-CG 4.35Å; L421-E450 PolarHBondContact N-O 3.36Å; L421-E450 PolarHBondContact O-N 3.4Å
451	I	89.2	Confident	84	Confident	67 Å²	67	69.6 Å²	69.6	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.9	-179.2	-60.8	-179.7	0	0	0	108.5	I449 K453 I460	I449-I451 HydrophobicContact CG2-CG1 3.93Å; I451-K453 PolarHBondContact O-N 3.45Å; I451-I460 HydrophobicContact CB-CD1 4.15Å; I451-I460 HydrophobicContact CD1-CD1 3.8Å; I451-I460 HydrophobicContact CG1-CD1 3.59Å; I451-I460 HydrophobicContact CG2-CD1 3.77Å
452	K	85.4	Confident	83.9	Confident	77 Å²	77	67.6 Å²	67.6	34%	0.335	34%	0.336	S	S	.	.			trans	-61	124.4	175.8	-75.7	-176.3	-177.5	140.7	0	110.8	P417 G418 M419 D420 S454 S455	P417-K452 WeakPolarHBondContact O-CD 3.27Å; G418-K452 PolarHBondContact O-N 3.49Å; M419-K452 WeakPolarHBondContact O-CE 3.33Å; M419-K452 PolarHBondContact O-NZ 2.79Å; D420-K452 HydrophobicContact CB-CG 3.59Å; D420-K452 WeakPolarHBondContact OD1-CE 3.42Å; D420-K452 WeakPolarHBondContact OD1-CG 3.05Å; K452-S454 VanDerWaalsContact C-N 3.31Å; K452-S454 PolarHBondContact O-N 2.66Å; K452-S455 VanDerWaalsContact CB-OG 3.28Å; K452-S455 WeakPolarHBondContact CB-OG 3.49Å; K452-S455 PolarHBondContact O-OG 2.63Å
453	K	75.6	Confident	83.7	Confident	210 Å²	210	70.9 Å²	70.9	91%	0.913	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.1	178.8	-65.6	179.6	-175	169	0	113	I451	I451-K453 PolarHBondContact O-N 3.45Å
454	S	68	Low	83.5	Confident	121 Å²	121	74.2 Å²	74.2	85%	0.846	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.6	-172.4	-48.8	0	0	0	0	114	K452	K452-S454 VanDerWaalsContact C-N 3.31Å; K452-S454 PolarHBondContact O-N 2.66Å
455	S	58.1	Low	83.2	Confident	31 Å²	31	75.4 Å²	75.4	22%	0.217	39%	0.389	C	S	.	.			trans	-80.4	124.9	178.8	19.5	0	0	0	0	110.1	K452 I457	K452-S455 VanDerWaalsContact CB-OG 3.28Å; K452-S455 WeakPolarHBondContact CB-OG 3.49Å; K452-S455 PolarHBondContact O-OG 2.63Å; S455-I457 PolarHBondContact O-N 3.08Å
456	N	64.1	Low	83	Confident	170 Å²	170	76.3 Å²	76.3	91%	0.909	39%	0.394	S	S	*	.			trans	-60.7	7.3	163.4	-75.2	-24.1	0	0	0	113.3	R458	N456-R458 PolarHBondContact O-N 3.15Å
457	I	62.5	Low	82.9	Confident	75 Å²	75	81 Å²	81	39%	0.385	42%	0.416	S	S	.	.			trans	-79.7	98.2	-178.3	-55.4	171.7	0	0	0	107.6	P417 S455 N459 I460	P417-I457 HydrophobicContact CB-CD1 4.32Å; S455-I457 PolarHBondContact O-N 3.08Å; I457-N459 WeakPolarHBondContact CG2-O 3.12Å; I457-I460 HydrophobicContact CG2-CG1 4.5Å
458	R	62.6	Low	82.7	Confident	241 Å²	241	84.4 Å²	84.4	91%	0.909	44%	0.437	S	S	*	.	S	Bend	trans	-72.6	-29.5	177.1	-68.2	-175.7	-177.4	178.5	1.3	113	N456	N456-R458 PolarHBondContact O-N 3.15Å
459	N	74.1	Confident	82.6	Confident	144 Å²	144	84.4 Å²	84.4	77%	0.77	44%	0.437	S	S	*	.			trans	-127.3	117.5	-177.1	-65.5	-20.1	0	0	0	108.9	I457	I457-N459 WeakPolarHBondContact CG2-O 3.12Å
460	I	81.9	Confident	82.6	Confident	42 Å²	42	85.3 Å²	85.3	22%	0.215	44%	0.443	C	S	.	.			trans	-86.8	116.7	168.3	-54.8	-179.7	0	0	0	107	G418 I451 I457 L462	G418-I460 WeakPolarHBondContact O-CD1 3.44Å; I451-I460 HydrophobicContact CB-CD1 4.15Å; I451-I460 HydrophobicContact CD1-CD1 3.8Å; I451-I460 HydrophobicContact CG1-CD1 3.59Å; I451-I460 HydrophobicContact CG2-CD1 3.77Å; I457-I460 HydrophobicContact CG2-CG1 4.5Å; I460-L462 HydrophobicContact CG2-CD1 4.35Å; I460-L462 HydrophobicContact CG2-CD2 3.58Å; I460-L462 HydrophobicContact CG2-CG 3.76Å
461	D	85.4	Confident	82.6	Confident	101 Å²	101	86.2 Å²	86.2	54%	0.54	45%	0.45	S	S	.	.			trans	-90.8	123.1	168.1	-175.5	12.7	0	0	0	109.1	N416 T463	N416-D461 PolarHBondContact ND2-O 3.3Å; D461-T463 WeakPolarHBondContact OD1-CB 3.16Å; D461-T463 PolarHBondContact OD1-N 3.29Å; D461-T463 PolarHBondContact OD1-OG1 2.99Å
462	L	89.2	Confident	82.7	Confident	26 Å²	26	85.7 Å²	85.7	14%	0.136	45%	0.449	C	S	.	.			trans	-116.8	8.4	178.9	-61.1	175.5	0	0	0	111.3	I383 F413 N416 M419 I460 S464 D465 V466	I383-L462 HydrophobicContact CD1-CD1 3.28Å; F413-L462 HydrophobicContact CD1-CD1 4.45Å; F413-L462 HydrophobicContact CD1-CD2 3.86Å; F413-L462 HydrophobicContact CE1-CB 4.03Å; F413-L462 HydrophobicContact CE1-CD1 4.18Å; F413-L462 HydrophobicContact CE1-CD2 4.12Å; F413-L462 HydrophobicContact CE1-CG 4.34Å; N416-L462 HydrophobicContact CB-CD2 4.34Å; N416-L462 WeakPolarHBondContact ND2-CD2 3.44Å; M419-L462 HydrophobicContact CE-CD1 3.92Å; M419-L462 HydrophobicContact CE-CD2 3.98Å; I460-L462 HydrophobicContact CG2-CD1 4.35Å; I460-L462 HydrophobicContact CG2-CD2 3.58Å; I460-L462 HydrophobicContact CG2-CG 3.76Å; L462-S464 PolarHBondContact O-N 3.24Å; L462-D465 WeakPolarHBondContact CD2-OD2 3.41Å; L462-D465 PolarHBondContact O-N 3.23Å; L462-V466 WeakPolarHBondContact O-CG2 3.33Å; L462-V466 PolarHBondContact O-N 2.81Å
463	T	90	Very high	83.1	Confident	100 Å²	100	82 Å²	82	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-62.5	-43.7	-174.4	-53.5	0	0	0	0	111.1	D461 Q467	D461-T463 WeakPolarHBondContact OD1-CB 3.16Å; D461-T463 PolarHBondContact OD1-N 3.29Å; D461-T463 PolarHBondContact OD1-OG1 2.99Å; T463-Q467 WeakPolarHBondContact O-CB 3.47Å; T463-Q467 PolarHBondContact O-N 3.22Å
464	S	91.3	Very high	83.9	Confident	75 Å²	75	73.2 Å²	73.2	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-39.6	178.5	58.6	0	0	0	0	112.6	L462 T468	L462-S464 PolarHBondContact O-N 3.24Å; S464-T468 WeakPolarHBondContact O-CB 3.45Å; S464-T468 PolarHBondContact O-N 3.49Å; S464-T468 PolarHBondContact O-OG1 2.81Å
465	D	92	Very high	85	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.139	39%	0.394	C	S	.	.	H	α-helix	trans	-59.5	-51.9	174.9	-61.7	-61.3	0	0	0	110.2	Q412 F413 N416 L462 T468 F469	Q412-D465 HydrophobicContact CB-CB 4.37Å; Q412-D465 PolarHBondContact OE1-O 3.32Å; F413-D465 HydrophobicContact CD1-CB 3.85Å; F413-D465 HydrophobicContact CE1-CB 3.79Å; N416-D465 PolarHBondContact ND2-OD2 3.06Å; L462-D465 WeakPolarHBondContact CD2-OD2 3.41Å; L462-D465 PolarHBondContact O-N 3.23Å; D465-T468 PolarHBondContact O-N 2.93Å; D465-F469 PolarHBondContact O-N 3.1Å; D465-F469 VanDerWaalsContact O-N 3.12Å
466	V	93.6	Very high	86.4	Confident	19 Å²	19	76.8 Å²	76.8	12%	0.115	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-47.8	178.9	173.6	0	0	0	0	111.3	F413 L462 T468 F469 V470 A491	F413-V466 HydrophobicContact CE1-CG2 4.1Å; F413-V466 HydrophobicContact CZ-CG2 3.98Å; L462-V466 WeakPolarHBondContact O-CG2 3.33Å; L462-V466 PolarHBondContact O-N 2.81Å; V466-T468 VanDerWaalsContact C-N 3.33Å; V466-T468 PolarHBondContact O-N 3.4Å; V466-F469 WeakPolarHBondContact O-CB 3.48Å; V466-F469 PolarHBondContact O-N 3.26Å; V466-F469 VanDerWaalsContact O-N 3.12Å; V466-V470 HydrophobicContact CG1-CG2 4.31Å; V466-V470 WeakPolarHBondContact O-CG2 3.33Å; V466-V470 PolarHBondContact O-N 3.49Å; V466-A491 HydrophobicContact CB-CB 4.31Å; V466-A491 HydrophobicContact CG1-CB 3.68Å; V466-A491 HydrophobicContact CG2-CB 3.71Å
467	Q	94.3	Very high	87.5	Confident	100 Å²	100	68.7 Å²	68.7	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-43.7	-178.5	-173.5	59.2	49.9	0	0	111.6	T463 F469 V470 D471	T463-Q467 WeakPolarHBondContact O-CB 3.47Å; T463-Q467 PolarHBondContact O-N 3.22Å; Q467-F469 VanDerWaalsContact C-N 3.25Å; Q467-F469 PolarHBondContact O-N 3.43Å; Q467-V470 PolarHBondContact O-N 2.79Å; Q467-V470 VanDerWaalsContact O-N 3.12Å; Q467-D471 PolarHBondContact NE2-OD1 3.15Å; Q467-D471 VanDerWaalsContact O-CG 3.24Å; Q467-D471 PolarHBondContact O-N 2.99Å
468	T	93.8	Very high	88.7	Confident	70 Å²	70	71.7 Å²	71.7	43%	0.429	37%	0.368	S	S	.	.	H	α-helix	trans	-58.4	-40.6	176.3	-56.5	0	0	0	0	111.1	S464 D465 V466 D471 V472	S464-T468 WeakPolarHBondContact O-CB 3.45Å; S464-T468 PolarHBondContact O-N 3.49Å; S464-T468 PolarHBondContact O-OG1 2.81Å; D465-T468 PolarHBondContact O-N 2.93Å; V466-T468 VanDerWaalsContact C-N 3.33Å; V466-T468 PolarHBondContact O-N 3.4Å; T468-D471 PolarHBondContact O-N 3.02Å; T468-V472 VanDerWaalsContact O-CG2 3.31Å; T468-V472 WeakPolarHBondContact O-CG2 3.5Å; T468-V472 PolarHBondContact O-N 3.25Å; T468-V472 VanDerWaalsContact O-N 3.07Å
469	F	95.2	Very high	89.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-44.2	175	176.7	-104.3	0	0	0	113	L385 V402 R405 L406 L409 D465 V466 Q467 D471 V472 V473 L489	L385-F469 HydrophobicContact CD2-CD1 4.38Å; L385-F469 HydrophobicContact CD2-CE1 3.79Å; V402-F469 HydrophobicContact CG1-CE1 4.32Å; V402-F469 HydrophobicContact CG1-CZ 4.24Å; R405-F469 HydrophobicContact CB-CE2 3.69Å; R405-F469 HydrophobicContact CB-CZ 4.14Å; R405-F469 WeakPolarHBondContact O-CE2 3.41Å; L406-F469 HydrophobicContact CD2-CZ 4.24Å; L409-F469 HydrophobicContact CB-CB 4.28Å; L409-F469 HydrophobicContact CB-CD1 4.3Å; L409-F469 HydrophobicContact CB-CD2 3.65Å; L409-F469 HydrophobicContact CB-CE2 4Å; L409-F469 HydrophobicContact CB-CG 3.8Å; L409-F469 HydrophobicContact CB-CZ 4.45Å; L409-F469 HydrophobicContact CD1-CB 3.81Å; L409-F469 HydrophobicContact CD1-CG 4.14Å; L409-F469 HydrophobicContact CD2-CD1 3.91Å; L409-F469 HydrophobicContact CD2-CE1 4.23Å; L409-F469 HydrophobicContact CD2-CG 4.17Å; L409-F469 HydrophobicContact CG-CB 4.46Å; L409-F469 HydrophobicContact CG-CD1 4.5Å; L409-F469 HydrophobicContact CG-CG 4.25Å; D465-F469 PolarHBondContact O-N 3.1Å; D465-F469 VanDerWaalsContact O-N 3.12Å; V466-F469 WeakPolarHBondContact O-CB 3.48Å; V466-F469 PolarHBondContact O-N 3.26Å; V466-F469 VanDerWaalsContact O-N 3.12Å; Q467-F469 VanDerWaalsContact C-N 3.25Å; Q467-F469 PolarHBondContact O-N 3.43Å; F469-D471 VanDerWaalsContact C-N 3.27Å; F469-D471 PolarHBondContact O-N 2.87Å; F469-V472 PolarHBondContact O-N 3.1Å; F469-V473 HydrophobicContact CD1-CG2 4.28Å; F469-V473 HydrophobicContact CD2-CG2 4.35Å; F469-V473 HydrophobicContact CE1-CG2 3.75Å; F469-V473 HydrophobicContact CE2-CG2 3.83Å; F469-V473 HydrophobicContact CZ-CG2 3.51Å; F469-V473 WeakPolarHBondContact O-CG2 3.34Å; F469-V473 PolarHBondContact O-N 3.34Å; F469-L489 HydrophobicContact CD1-CD1 4.15Å; F469-L489 HydrophobicContact CE1-CD1 3.76Å
470	V	94.5	Very high	90.3	Very high	29 Å²	29	64.2 Å²	64.2	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-44.8	175.8	175.6	0	0	0	0	110.5	V466 Q467 V472 V473 A474 L489	V466-V470 HydrophobicContact CG1-CG2 4.31Å; V466-V470 WeakPolarHBondContact O-CG2 3.33Å; V466-V470 PolarHBondContact O-N 3.49Å; Q467-V470 PolarHBondContact O-N 2.79Å; Q467-V470 VanDerWaalsContact O-N 3.12Å; V470-V472 PolarHBondContact O-N 3.07Å; V470-V473 PolarHBondContact O-N 2.95Å; V470-A474 WeakPolarHBondContact O-CB 3.42Å; V470-A474 PolarHBondContact O-N 3.38Å; V470-L489 HydrophobicContact CG2-CB 3.72Å; V470-L489 HydrophobicContact CG2-CD1 4.31Å
471	D	93.2	Very high	90.3	Very high	87 Å²	87	73.2 Å²	73.2	47%	0.465	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-39.7	178.8	-62.1	-18.3	0	0	0	112	Q467 T468 F469 A474 K475	Q467-D471 PolarHBondContact NE2-OD1 3.15Å; Q467-D471 VanDerWaalsContact O-CG 3.24Å; Q467-D471 PolarHBondContact O-N 2.99Å; T468-D471 PolarHBondContact O-N 3.02Å; F469-D471 VanDerWaalsContact C-N 3.27Å; F469-D471 PolarHBondContact O-N 2.87Å; D471-A474 PolarHBondContact O-N 3.5Å; D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.3Å; D471-K475 PolarHBondContact O-N 2.87Å
472	V	92.2	Very high	90.2	Very high	55 Å²	55	70.4 Å²	70.4	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-45.1	175.5	167	0	0	0	0	111.4	T468 F469 V470 H476	T468-V472 VanDerWaalsContact O-CG2 3.31Å; T468-V472 WeakPolarHBondContact O-CG2 3.5Å; T468-V472 PolarHBondContact O-N 3.25Å; T468-V472 VanDerWaalsContact O-N 3.07Å; F469-V472 PolarHBondContact O-N 3.1Å; V470-V472 PolarHBondContact O-N 3.07Å; V472-H476 WeakPolarHBondContact O-CB 3.49Å; V472-H476 PolarHBondContact O-N 3.21Å
473	V	93.3	Very high	90.1	Very high	1 Å²	1	72.6 Å²	72.6	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-47.1	178.1	171.2	0	0	0	0	110.5	F398 L401 V402 R405 F469 V470 H476 G477 L489	F398-V473 HydrophobicContact CE2-CG1 3.99Å; L401-V473 HydrophobicContact CD2-CG1 3.99Å; L401-V473 HydrophobicContact CG-CG1 4.15Å; V402-V473 HydrophobicContact CG2-CG1 4.16Å; R405-V473 HydrophobicContact CB-CG2 4.27Å; F469-V473 HydrophobicContact CD1-CG2 4.28Å; F469-V473 HydrophobicContact CD2-CG2 4.35Å; F469-V473 HydrophobicContact CE1-CG2 3.75Å; F469-V473 HydrophobicContact CE2-CG2 3.83Å; F469-V473 HydrophobicContact CZ-CG2 3.51Å; F469-V473 WeakPolarHBondContact O-CG2 3.34Å; F469-V473 PolarHBondContact O-N 3.34Å; V470-V473 PolarHBondContact O-N 2.95Å; V473-H476 PolarHBondContact O-N 3.49Å; V473-G477 PolarHBondContact O-N 2.98Å; V473-L489 HydrophobicContact CB-CD1 4.15Å; V473-L489 HydrophobicContact CG1-CD1 4.11Å; V473-L489 HydrophobicContact CG2-CD1 4.09Å
474	A	92	Very high	90	Very high	25 Å²	25	72.4 Å²	72.4	21%	0.207	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-49.9	178.7	0	0	0	0	0	111.5	V470 D471 H476 G477 M478 F483	V470-A474 WeakPolarHBondContact O-CB 3.42Å; V470-A474 PolarHBondContact O-N 3.38Å; D471-A474 PolarHBondContact O-N 3.5Å; A474-H476 VanDerWaalsContact C-N 3.32Å; A474-H476 PolarHBondContact O-N 3.48Å; A474-G477 PolarHBondContact O-N 3.46Å; A474-M478 WeakPolarHBondContact O-CB 3.46Å; A474-M478 VanDerWaalsContact O-CG 3.27Å; A474-M478 WeakPolarHBondContact O-CG 3.4Å; A474-M478 PolarHBondContact O-N 3.31Å; A474-F483 HydrophobicContact CB-CE2 4.21Å; A474-F483 HydrophobicContact CB-CZ 4.4Å
475	K	91.2	Very high	89.8	Confident	164 Å²	164	75 Å²	75	71%	0.713	37%	0.369	S	S	*	.	H	α-helix	trans	-58.7	-43.4	178.5	-176.8	176.8	-179	176.5	0	112	D471 F479	D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.3Å; D471-K475 PolarHBondContact O-N 2.87Å; K475-F479 PolarHBondContact O-N 2.91Å; K475-F479 VanDerWaalsContact O-N 3.13Å
476	H	87.6	Confident	89.7	Confident	63 Å²	63	75.3 Å²	75.3	29%	0.292	38%	0.378	S	S	.	.	H	α-helix	trans	-67.9	-46.3	179	-167.8	56.5	0	0	0	111.6	R405 V472 V473 A474 M478 F479 S480	R405-H476 PolarHBondContact NH2-CD2 3.25Å; R405-H476 PolarHBondContact NH2-CE1 3.07Å; R405-H476 PolarHBondContact NH2-NE2 3.18Å; V472-H476 WeakPolarHBondContact O-CB 3.49Å; V472-H476 PolarHBondContact O-N 3.21Å; V473-H476 PolarHBondContact O-N 3.49Å; A474-H476 VanDerWaalsContact C-N 3.32Å; A474-H476 PolarHBondContact O-N 3.48Å; H476-M478 VanDerWaalsContact C-N 3.29Å; H476-M478 PolarHBondContact O-N 2.92Å; H476-F479 WeakPolarHBondContact O-CB 3.3Å; H476-F479 PolarHBondContact O-N 2.91Å; H476-F479 VanDerWaalsContact O-N 3.11Å; H476-S480 PolarHBondContact O-N 2.77Å; H476-S480 PolarHBondContact O-OG 2.72Å
477	G	87.3	Confident	89.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-34.8	178.4	0	0	0	0	0	113.2	V473 A474 S480 R481 T482 F483	V473-G477 PolarHBondContact O-N 2.98Å; A474-G477 PolarHBondContact O-N 3.46Å; G477-S480 WeakPolarHBondContact CA-OG 3.4Å; G477-S480 PolarHBondContact O-OG 3.14Å; G477-R481 PolarHBondContact O-N 3.38Å; G477-T482 PolarHBondContact O-N 3.28Å; G477-T482 PolarHBondContact O-OG1 3.1Å; G477-F483 VanDerWaalsContact C-CB 3.45Å; G477-F483 PolarHBondContact O-N 3.05Å
478	M	88.8	Confident	89.7	Confident	137 Å²	137	76.3 Å²	76.3	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-65.6	-44.6	172.2	-71.9	177.5	75.4	0	0	111.4	A474 H476 R481 F483	A474-M478 WeakPolarHBondContact O-CB 3.46Å; A474-M478 VanDerWaalsContact O-CG 3.27Å; A474-M478 WeakPolarHBondContact O-CG 3.4Å; A474-M478 PolarHBondContact O-N 3.31Å; H476-M478 VanDerWaalsContact C-N 3.29Å; H476-M478 PolarHBondContact O-N 2.92Å; M478-R481 PolarHBondContact O-N 3.48Å; M478-F483 HydrophobicContact CG-CB 4.39Å
479	F	86.1	Confident	89.8	Confident	177 Å²	177	73.9 Å²	73.9	78%	0.776	36%	0.36	S	S	*	.	H	α-helix	trans	-63.7	-40.5	178.1	-177.5	-95.6	0	0	0	112.3	K475 H476 R481	K475-F479 PolarHBondContact O-N 2.91Å; K475-F479 VanDerWaalsContact O-N 3.13Å; H476-F479 WeakPolarHBondContact O-CB 3.3Å; H476-F479 PolarHBondContact O-N 2.91Å; H476-F479 VanDerWaalsContact O-N 3.11Å; F479-R481 VanDerWaalsContact C-N 3.3Å; F479-R481 PolarHBondContact O-N 3.25Å
480	S	82.5	Confident	89.8	Confident	51 Å²	51	77.7 Å²	77.7	36%	0.357	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.5	177	57.3	0	0	0	0	114.3	H476 G477 T482	H476-S480 PolarHBondContact O-N 2.77Å; H476-S480 PolarHBondContact O-OG 2.72Å; G477-S480 WeakPolarHBondContact CA-OG 3.4Å; G477-S480 PolarHBondContact O-OG 3.14Å; S480-T482 PolarHBondContact O-N 3.2Å; S480-T482 VanDerWaalsContact O-N 3.13Å; S480-T482 PolarHBondContact OG-OG1 2.66Å
481	R	82.3	Confident	89.8	Confident	232 Å²	232	78 Å²	78	88%	0.875	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	26.7	-176.3	-54.7	-179.1	179.6	-176.3	0.1	114.4	G477 M478 F479	G477-R481 PolarHBondContact O-N 3.38Å; M478-R481 PolarHBondContact O-N 3.48Å; F479-R481 VanDerWaalsContact C-N 3.3Å; F479-R481 PolarHBondContact O-N 3.25Å
482	T	84.1	Confident	89.9	Confident	42 Å²	42	77.3 Å²	77.3	26%	0.258	38%	0.376	S	S	.	.			trans	-99.3	-17.1	178.2	51.8	0	0	0	0	112.6	I397 G477 S480 R484	I397-T482 HydrophobicContact CG2-CG2 4.22Å; G477-T482 PolarHBondContact O-N 3.28Å; G477-T482 PolarHBondContact O-OG1 3.1Å; S480-T482 PolarHBondContact O-N 3.2Å; S480-T482 VanDerWaalsContact O-N 3.13Å; S480-T482 PolarHBondContact OG-OG1 2.66Å; T482-R484 PolarHBondContact O-N 3.12Å
483	F	86.4	Confident	90	Very high	72 Å²	72	81 Å²	81	32%	0.316	39%	0.385	S	S	.	.			trans	-76.5	116.4	177.6	-159.1	-92.9	0	0	0	110.8	F398 A474 G477 M478 M487	F398-F483 HydrophobicContact CE2-CD2 4.34Å; F398-F483 HydrophobicContact CE2-CE2 4.03Å; A474-F483 HydrophobicContact CB-CE2 4.21Å; A474-F483 HydrophobicContact CB-CZ 4.4Å; G477-F483 VanDerWaalsContact C-CB 3.45Å; G477-F483 PolarHBondContact O-N 3.05Å; M478-F483 HydrophobicContact CG-CB 4.39Å; F483-M487 HydrophobicContact CD2-CB 4.31Å; F483-M487 HydrophobicContact CD2-SD 4.43Å; F483-M487 HydrophobicContact CE1-CB 4.41Å; F483-M487 HydrophobicContact CE2-CB 3.92Å; F483-M487 HydrophobicContact CZ-CB 3.98Å; F483-M487 VanDerWaalsContact CZ-O 3.24Å; F483-M487 WeakPolarHBondContact CZ-O 3.31Å
484	R	87.9	Confident	90.1	Very high	96 Å²	96	81.7 Å²	81.7	36%	0.362	39%	0.389	S	S	.	.			trans	-112.7	162.7	-179.6	-57.8	173.5	177.1	-175.7	1.7	110.8	E393 D394 T482 G486 M487	E393-R484 IonicContact OE1-CZ 2.68Å; E393-R484 IonicContact OE1-NH1 3.91Å; E393-R484 PolarHBondContact OE1-NH1 2.9Å; E393-R484 IonicContact OE1-NH2 3.78Å; E393-R484 PolarHBondContact OE1-NH2 3.1Å; D394-R484 WeakPolarHBondContact OD1-CD 3.49Å; D394-R484 IonicContact OD1-CZ 3.37Å; D394-R484 IonicContact OD1-NE 3.98Å; D394-R484 IonicContact OD1-NH1 2.88Å; D394-R484 PolarHBondContact OD1-NH1 2.92Å; T482-R484 PolarHBondContact O-N 3.12Å; R484-G486 PolarHBondContact O-N 2.98Å; R484-M487 HydrophobicContact CB-CE 3.92Å; R484-M487 HydrophobicContact CB-SD 4.27Å; R484-M487 HydrophobicContact CG-CE 4.08Å; R484-M487 PolarHBondContact N-SD 3.05Å; R484-M487 WeakPolarHBondContact O-CB 3.42Å; R484-M487 WeakPolarHBondContact O-CG 3.46Å; R484-M487 PolarHBondContact O-N 3.11Å
485	V	87	Confident	90.3	Very high	129 Å²	129	85.4 Å²	85.4	78%	0.782	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	137.4	178.2	-179.9	0	0	0	0	110.1	N390 M487	N390-V485 PolarHBondContact ND2-O 3.37Å; N390-V485 VanDerWaalsContact ND2-O 3.14Å; V485-M487 VanDerWaalsContact C-N 3.35Å
486	G	89.8	Confident	90.5	Very high	32 Å²	32	83 Å²	83	33%	0.33	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-11.9	-178.2	0	0	0	0	0	114.7	R484 R488	R484-G486 PolarHBondContact O-N 2.98Å; G486-R488 PolarHBondContact O-N 2.85Å
487	M	94.3	Very high	90.9	Very high	9 Å²	9	87.3 Å²	87.3	4%	0.044	40%	0.404	C	S	.	.			trans	-70	121.5	172.9	-67.5	-176.4	176.9	0	0	111	Y388 A389 D394 F398 F483 R484 V485	Y388-M487 VanDerWaalsContact O-CA 3.27Å; Y388-M487 WeakPolarHBondContact O-CA 3.26Å; A389-M487 HydrophobicContact CB-CG 4.38Å; D394-M487 HydrophobicContact CB-CE 3.8Å; D394-M487 VanDerWaalsContact O-CE 3.22Å; D394-M487 WeakPolarHBondContact O-CE 3.49Å; F398-M487 HydrophobicContact CB-CE 3.88Å; F398-M487 HydrophobicContact CB-CG 4.26Å; F398-M487 HydrophobicContact CB-SD 3.9Å; F398-M487 HydrophobicContact CD1-CB 4.4Å; F398-M487 HydrophobicContact CD1-CG 4.43Å; F398-M487 HydrophobicContact CD2-CB 4.01Å; F398-M487 HydrophobicContact CD2-CG 4.03Å; F398-M487 HydrophobicContact CD2-SD 3.59Å; F398-M487 VanDerWaalsContact CD2-SD 3.59Å; F398-M487 HydrophobicContact CE1-CB 4.32Å; F398-M487 HydrophobicContact CE2-CB 3.94Å; F398-M487 HydrophobicContact CE2-CG 4.48Å; F398-M487 HydrophobicContact CE2-SD 4.32Å; F398-M487 HydrophobicContact CG-CB 4.24Å; F398-M487 HydrophobicContact CG-CG 4.01Å; F398-M487 HydrophobicContact CG-SD 3.91Å; F398-M487 HydrophobicContact CZ-CB 4.08Å; F483-M487 HydrophobicContact CD2-CB 4.31Å; F483-M487 HydrophobicContact CD2-SD 4.43Å; F483-M487 HydrophobicContact CE1-CB 4.41Å; F483-M487 HydrophobicContact CE2-CB 3.92Å; F483-M487 HydrophobicContact CZ-CB 3.98Å; F483-M487 VanDerWaalsContact CZ-O 3.24Å; F483-M487 WeakPolarHBondContact CZ-O 3.31Å; R484-M487 HydrophobicContact CB-CE 3.92Å; R484-M487 HydrophobicContact CB-SD 4.27Å; R484-M487 HydrophobicContact CG-CE 4.08Å; R484-M487 PolarHBondContact N-SD 3.05Å; R484-M487 WeakPolarHBondContact O-CB 3.42Å; R484-M487 WeakPolarHBondContact O-CG 3.46Å; R484-M487 PolarHBondContact O-N 3.11Å; V485-M487 VanDerWaalsContact C-N 3.35Å
488	R	94.4	Very high	91.3	Very high	131 Å²	131	89.7 Å²	89.7	49%	0.494	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.4	175.8	62.3	177.3	-174.1	114.7	3.4	112.6	Y388 G486	Y388-R488 HydrophobicContact CD2-CG 3.82Å; Y388-R488 HydrophobicContact CG-CG 4.08Å; Y388-R488 PolarHBondContact N-O 3.14Å; Y388-R488 PolarHBondContact O-N 3.45Å; Y388-R488 VanDerWaalsContact O-N 3.16Å; G486-R488 PolarHBondContact O-N 2.85Å
489	L	96.3	Very high	91.6	Very high	19 Å²	19	83.3 Å²	83.3	10%	0.099	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.1	176.1	-75	171.3	0	0	0	110.9	L385 M386 F398 V402 W445 F469 V470 V473	L385-L489 HydrophobicContact CD1-CB 4.37Å; L385-L489 HydrophobicContact CD1-CD2 4.28Å; L385-L489 HydrophobicContact CD2-CD2 4.24Å; L385-L489 HydrophobicContact CG-CD2 4.09Å; M386-L489 CarbonylContact O-C 3.55Å; M386-L489 VanDerWaalsContact O-CA 3.27Å; M386-L489 WeakPolarHBondContact O-CA 3.47Å; F398-L489 HydrophobicContact CE1-CD2 4.18Å; F398-L489 HydrophobicContact CE1-CG 4.22Å; F398-L489 HydrophobicContact CZ-CD1 4.47Å; F398-L489 HydrophobicContact CZ-CD2 4.24Å; F398-L489 HydrophobicContact CZ-CG 3.85Å; V402-L489 HydrophobicContact CG1-CD2 4.23Å; V402-L489 HydrophobicContact CG2-CD1 4.15Å; V402-L489 HydrophobicContact CG2-CD2 3.95Å; V402-L489 HydrophobicContact CG2-CG 4.39Å; W445-L489 HydrophobicContact CZ3-CD2 4.03Å; F469-L489 HydrophobicContact CD1-CD1 4.15Å; F469-L489 HydrophobicContact CE1-CD1 3.76Å; V470-L489 HydrophobicContact CG2-CB 3.72Å; V470-L489 HydrophobicContact CG2-CD1 4.31Å; V473-L489 HydrophobicContact CB-CD1 4.15Å; V473-L489 HydrophobicContact CG1-CD1 4.11Å; V473-L489 HydrophobicContact CG2-CD1 4.09Å
490	Q	94.4	Very high	92	Very high	81 Å²	81	78 Å²	78	38%	0.379	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	125.7	175.1	-177.2	179.3	-2.5	0	0	110.7	M386 Y388	M386-Q490 WeakPolarHBondContact CB-O 3.46Å; M386-Q490 PolarHBondContact N-O 2.99Å; M386-Q490 PolarHBondContact O-N 2.91Å; Y388-Q490 HydrophobicContact CE2-CB 4.22Å
491	A	95.7	Very high	92.6	Very high	34 Å²	34	78.4 Å²	78.4	28%	0.281	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.7	172	0	0	0	0	0	111.7	I383 A384 L385 V466	I383-A491 HydrophobicContact CG2-CB 4.11Å; A384-A491 CarbonylContact O-C 3.52Å; A384-A491 WeakPolarHBondContact O-CA 3.41Å; L385-A491 HydrophobicContact CD1-CB 4.42Å; V466-A491 HydrophobicContact CB-CB 4.31Å; V466-A491 HydrophobicContact CG1-CB 3.68Å; V466-A491 HydrophobicContact CG2-CB 3.71Å
492	K	94.4	Very high	93.2	Very high	74 Å²	74	68.2 Å²	68.2	32%	0.322	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.8	173.9	-66	179.9	-178.2	170.9	0	109.2	I383 A384 M386	I383-K492 CarbonylContact C-O 3.6Å; I383-K492 WeakPolarHBondContact CA-O 3.23Å; A384-K492 PolarHBondContact N-O 3.42Å; A384-K492 PolarHBondContact O-N 3.1Å; M386-K492 HydrophobicContact CG-CD 3.82Å; M386-K492 HydrophobicContact CG-CG 4.18Å; M386-K492 HydrophobicContact SD-CD 4.22Å
493	Y	94.7	Very high	93.7	Very high	131 Å²	131	66.3 Å²	66.3	51%	0.514	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.6	171.2	166.2	-102.5	0	0	0	110.7	H381 K495	H381-Y493 HydrophobicContact CB-CE2 4.11Å; H381-Y493 PolarHBondContact CE1-OH 2.83Å; H381-Y493 AromaticContact ND1-CE2 3.72Å; H381-Y493 AromaticContact ND1-CZ 3.71Å; H381-Y493 PolarHBondContact ND1-OH 3.32Å; Y493-K495 HydrophobicContact CE1-CG 4.14Å; Y493-K495 WeakPolarHBondContact OH-CG 3.24Å
494	L	95.5	Very high	94.1	Very high	16 Å²	16	64.9 Å²	64.9	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.2	179.1	-59.5	170.1	0	0	0	110.1	Y382 A384 L446 D498 L499 L502	Y382-L494 PolarHBondContact N-O 3.42Å; Y382-L494 PolarHBondContact O-N 3.35Å; A384-L494 HydrophobicContact CB-CD1 3.78Å; L446-L494 HydrophobicContact CD1-CD1 4.48Å; L494-D498 HydrophobicContact CB-CB 4.34Å; L494-D498 HydrophobicContact CD2-CB 4.06Å; L494-L499 HydrophobicContact CD1-CD2 4.09Å; L494-L502 HydrophobicContact CD1-CD1 3.59Å
495	K	95.7	Very high	94.3	Very high	104 Å²	104	65.6 Å²	65.6	45%	0.452	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	157.5	159.3	-61	173.8	178.5	174.8	0	107.9	Y493 K497 D498	Y493-K495 HydrophobicContact CE1-CG 4.14Å; Y493-K495 WeakPolarHBondContact OH-CG 3.24Å; K495-K497 HydrophobicContact CB-CG 4.13Å; K495-K497 PolarHBondContact O-N 3.42Å; K495-K497 VanDerWaalsContact O-N 3.07Å; K495-D498 VanDerWaalsContact CB-OD2 3.22Å; K495-D498 WeakPolarHBondContact CB-OD2 3.42Å; K495-D498 PolarHBondContact N-OD2 2.84Å; K495-D498 WeakPolarHBondContact O-CA 3.38Å; K495-D498 WeakPolarHBondContact O-CB 3.46Å; K495-D498 PolarHBondContact O-N 3.47Å
496	R	95.4	Very high	94.6	Very high	113 Å²	113	63.4 Å²	63.4	43%	0.426	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-48.4	-41.3	176.9	-174.1	175.8	60.2	-168.1	1.5	113.7	F376 W377 Y379 K380 Y382 D498 L499	F376-R496 WeakPolarHBondContact O-CD 3.45Å; F376-R496 WeakPolarHBondContact O-CG 3.45Å; W377-R496 PolarHBondContact O-NH1 3.48Å; Y379-R496 WeakPolarHBondContact O-CD 3.19Å; K380-R496 PolarHBondContact O-N 2.94Å; Y382-R496 HydrophobicContact CD2-CB 4.46Å; Y382-R496 HydrophobicContact CE2-CB 3.89Å; Y382-R496 HydrophobicContact CE2-CG 4.04Å; R496-D498 PolarHBondContact O-N 3.29Å; R496-L499 HydrophobicContact CG-CD1 4.39Å; R496-L499 WeakPolarHBondContact O-CB 3.15Å; R496-L499 WeakPolarHBondContact O-CG 3.38Å; R496-L499 PolarHBondContact O-N 3.05Å
497	K	95	Very high	94.7	Very high	153 Å²	153	63.6 Å²	63.6	67%	0.665	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.1	178.9	64.4	168.6	-169.6	167.5	0	113.8	K495 S500	K495-K497 HydrophobicContact CB-CG 4.13Å; K495-K497 PolarHBondContact O-N 3.42Å; K495-K497 VanDerWaalsContact O-N 3.07Å; K497-S500 PolarHBondContact O-OG 3.32Å; K497-S500 VanDerWaalsContact O-OG 3.14Å
498	D	96	Very high	94.6	Very high	50 Å²	50	63.8 Å²	63.8	27%	0.267	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-87.7	-8.4	-178.7	-49	-38.8	0	0	0	111	L494 K495 R496 S500 T501	L494-D498 HydrophobicContact CB-CB 4.34Å; L494-D498 HydrophobicContact CD2-CB 4.06Å; K495-D498 VanDerWaalsContact CB-OD2 3.22Å; K495-D498 WeakPolarHBondContact CB-OD2 3.42Å; K495-D498 PolarHBondContact N-OD2 2.84Å; K495-D498 WeakPolarHBondContact O-CA 3.38Å; K495-D498 WeakPolarHBondContact O-CB 3.46Å; K495-D498 PolarHBondContact O-N 3.47Å; R496-D498 PolarHBondContact O-N 3.29Å; D498-S500 PolarHBondContact O-N 2.86Å; D498-T501 WeakPolarHBondContact O-CB 3.5Å; D498-T501 WeakPolarHBondContact O-CG2 3.37Å; D498-T501 PolarHBondContact O-N 2.7Å; D498-T501 PolarHBondContact O-OG1 3.38Å
499	L	96.3	Very high	94.5	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-60.7	-31.5	176.6	-68.7	179	0	0	0	112.8	F376 Y382 L446 L494 R496 T501 L502 L503 L508	F376-L499 HydrophobicContact CB-CD1 4.41Å; F376-L499 HydrophobicContact CD1-CD1 4.4Å; Y382-L499 HydrophobicContact CD1-CD1 4.42Å; Y382-L499 HydrophobicContact CD1-CD2 4.36Å; Y382-L499 HydrophobicContact CD2-CD1 3.9Å; Y382-L499 HydrophobicContact CD2-CD2 4.12Å; Y382-L499 HydrophobicContact CD2-CG 4.14Å; Y382-L499 HydrophobicContact CE1-CD1 4.2Å; Y382-L499 HydrophobicContact CE2-CD1 3.66Å; Y382-L499 HydrophobicContact CE2-CG 4.36Å; Y382-L499 HydrophobicContact CG-CD1 4.3Å; Y382-L499 HydrophobicContact CG-CD2 3.96Å; Y382-L499 HydrophobicContact CG-CG 4.46Å; L446-L499 HydrophobicContact CD1-CD2 3.97Å; L446-L499 HydrophobicContact CD2-CD2 3.88Å; L494-L499 HydrophobicContact CD1-CD2 4.09Å; R496-L499 HydrophobicContact CG-CD1 4.39Å; R496-L499 WeakPolarHBondContact O-CB 3.15Å; R496-L499 WeakPolarHBondContact O-CG 3.38Å; R496-L499 PolarHBondContact O-N 3.05Å; L499-T501 PolarHBondContact O-N 3.13Å; L499-T501 VanDerWaalsContact O-N 3.11Å; L499-L502 PolarHBondContact O-N 3.03Å; L499-L503 PolarHBondContact O-N 2.92Å; L499-L508 HydrophobicContact CB-CD2 3.87Å; L499-L508 HydrophobicContact CD1-CD2 4.33Å
500	S	94.9	Very high	94.2	Very high	65 Å²	65	62.3 Å²	62.3	46%	0.455	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-64	-10.6	174.9	56.9	0	0	0	0	113.8	K497 D498	K497-S500 PolarHBondContact O-OG 3.32Å; K497-S500 VanDerWaalsContact O-OG 3.14Å; D498-S500 PolarHBondContact O-N 2.86Å
501	T	94.5	Very high	93.8	Very high	60 Å²	60	59.4 Å²	59.4	37%	0.368	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-81.3	-14.9	172.1	70.9	0	0	0	0	113.2	N433 D498 L499	N433-T501 VanDerWaalsContact CG-O 3.3Å; N433-T501 PolarHBondContact ND2-O 3.05Å; D498-T501 WeakPolarHBondContact O-CB 3.5Å; D498-T501 WeakPolarHBondContact O-CG2 3.37Å; D498-T501 PolarHBondContact O-N 2.7Å; D498-T501 PolarHBondContact O-OG1 3.38Å; L499-T501 PolarHBondContact O-N 3.13Å; L499-T501 VanDerWaalsContact O-N 3.11Å
502	L	94.4	Very high	93.1	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-29.6	-179.1	-63.8	-178.3	0	0	0	113.1	A384 M386 P431 I432 F444 L494 L499	A384-L502 HydrophobicContact CB-CD1 3.9Å; M386-L502 HydrophobicContact SD-CD1 4.44Å; P431-L502 WeakPolarHBondContact CA-O 3.42Å; P431-L502 HydrophobicContact CB-CD2 4.02Å; I432-L502 PolarHBondContact N-O 2.97Å; F444-L502 HydrophobicContact CE1-CB 4.11Å; F444-L502 HydrophobicContact CE2-CB 4.4Å; F444-L502 HydrophobicContact CE2-CD1 4.31Å; F444-L502 HydrophobicContact CZ-CB 3.76Å; F444-L502 HydrophobicContact CZ-CD1 4.35Å; L494-L502 HydrophobicContact CD1-CD1 3.59Å; L499-L502 PolarHBondContact O-N 3.03Å
503	L	95.2	Very high	91.8	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	-114.3	142.7	-173.9	-69.5	171	0	0	0	111.9	F376 F429 F444 L446 L499 I507 L508	F376-L503 HydrophobicContact CD1-CD1 3.95Å; F376-L503 HydrophobicContact CE1-CD1 3.56Å; F376-L503 HydrophobicContact CZ-CD1 4.29Å; F429-L503 HydrophobicContact CB-CD2 3.87Å; F429-L503 HydrophobicContact CD1-CD2 3.63Å; F429-L503 HydrophobicContact CD2-CD2 4.21Å; F429-L503 HydrophobicContact CE1-CD2 4.23Å; F429-L503 HydrophobicContact CG-CD2 3.63Å; F444-L503 HydrophobicContact CE1-CD2 4.5Å; F444-L503 HydrophobicContact CE2-CD2 4.3Å; F444-L503 HydrophobicContact CE2-CG 4.44Å; F444-L503 HydrophobicContact CZ-CD2 3.59Å; F444-L503 HydrophobicContact CZ-CG 3.89Å; L446-L503 HydrophobicContact CD2-CD1 4Å; L499-L503 PolarHBondContact O-N 2.92Å; L503-I507 HydrophobicContact CD1-CG2 4.45Å; L503-I507 HydrophobicContact CD2-CD1 4.33Å; L503-I507 HydrophobicContact CD2-CG2 4.31Å; L503-L508 HydrophobicContact CB-CD1 4.37Å; L503-L508 HydrophobicContact CB-CD2 3.98Å; L503-L508 HydrophobicContact CB-CG 4.02Å; L503-L508 HydrophobicContact CD1-CD2 4Å
504	P	94	Very high	89.6	Confident	42 Å²	42	63.7 Å²	63.7	27%	0.273	34%	0.341	S	S	.	.			trans	-71.9	155.8	174.2	32.1	-34.8	0	0	0	111.8	I432 S506 I507 L508	I432-P504 HydrophobicContact CG2-CB 4.04Å; I432-P504 HydrophobicContact CG2-CG 4.22Å; P504-S506 PolarHBondContact O-N 3Å; P504-I507 HydrophobicContact CG-CB 4.25Å; P504-I507 HydrophobicContact CG-CD1 3.84Å; P504-I507 HydrophobicContact CG-CG1 3.91Å; P504-I507 PolarHBondContact O-N 2.96Å; P504-L508 PolarHBondContact O-N 3Å; P504-L508 VanDerWaalsContact O-N 3.12Å
505	E	92.3	Very high	86.7	Confident	112 Å²	112	75 Å²	75	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-27.6	179.8	-170.6	61.7	-160.4	0	0	112.9	I507 L508 S509	E505-I507 VanDerWaalsContact C-N 3.25Å; E505-I507 PolarHBondContact O-N 3.33Å; E505-L508 PolarHBondContact O-N 3.24Å; E505-S509 VanDerWaalsContact O-CB 3.25Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.01Å; E505-S509 PolarHBondContact O-OG 2.67Å
506	S	92.6	Very high	83.6	Confident	83 Å²	83	75.7 Å²	75.7	58%	0.58	40%	0.396	S	S	*	.	H	α-helix	trans	-61.8	-32.1	175	56.7	0	0	0	0	113.2	P504 S509	P504-S506 PolarHBondContact O-N 3Å; S506-S509 PolarHBondContact O-OG 2.81Å
507	I	92.9	Very high	80.2	Confident	35 Å²	35	76.1 Å²	76.1	18%	0.179	42%	0.415	C	S	.	.	H	α-helix	trans	-84.1	-44.1	175.2	-66.8	-179.5	0	0	0	109.7	F376 F429 L503 P504 E505 S509 Q510	F376-I507 HydrophobicContact CD2-CG2 4.27Å; F376-I507 WeakPolarHBondContact CD2-O 3.49Å; F376-I507 HydrophobicContact CE1-CG2 4.12Å; F376-I507 HydrophobicContact CE2-CG2 3.31Å; F376-I507 VanDerWaalsContact CE2-O 3.31Å; F376-I507 WeakPolarHBondContact CE2-O 3.04Å; F376-I507 HydrophobicContact CZ-CG2 3.24Å; F429-I507 HydrophobicContact CD1-CD1 3.95Å; F429-I507 HydrophobicContact CE1-CD1 4.04Å; F429-I507 HydrophobicContact CE1-CG2 4.15Å; L503-I507 HydrophobicContact CD1-CG2 4.45Å; L503-I507 HydrophobicContact CD2-CD1 4.33Å; L503-I507 HydrophobicContact CD2-CG2 4.31Å; P504-I507 HydrophobicContact CG-CB 4.25Å; P504-I507 HydrophobicContact CG-CD1 3.84Å; P504-I507 HydrophobicContact CG-CG1 3.91Å; P504-I507 PolarHBondContact O-N 2.96Å; E505-I507 VanDerWaalsContact C-N 3.25Å; E505-I507 PolarHBondContact O-N 3.33Å; I507-S509 VanDerWaalsContact C-N 3.3Å; I507-S509 PolarHBondContact O-N 3.33Å; I507-Q510 VanDerWaalsContact O-CB 3.3Å; I507-Q510 WeakPolarHBondContact O-CB 3.36Å; I507-Q510 VanDerWaalsContact O-CG 3.29Å; I507-Q510 WeakPolarHBondContact O-CG 3.4Å; I507-Q510 PolarHBondContact O-N 3.1Å
508	L	93	Very high	77.2	Confident	13 Å²	13	74.9 Å²	74.9	7%	0.068	42%	0.423	C	S	.	.	H	α-helix	trans	-65	-32.3	-178	-65.4	174.8	0	0	0	112.9	F376 W377 L499 L503 P504 E505 Q510	F376-L508 HydrophobicContact CB-CD2 4.16Å; F376-L508 HydrophobicContact CD1-CD2 4.3Å; F376-L508 HydrophobicContact CG-CD2 4.22Å; W377-L508 WeakPolarHBondContact CZ2-O 3.43Å; W377-L508 PolarHBondContact NE1-O 3.43Å; L499-L508 HydrophobicContact CB-CD2 3.87Å; L499-L508 HydrophobicContact CD1-CD2 4.33Å; L503-L508 HydrophobicContact CB-CD1 4.37Å; L503-L508 HydrophobicContact CB-CD2 3.98Å; L503-L508 HydrophobicContact CB-CG 4.02Å; L503-L508 HydrophobicContact CD1-CD2 4Å; P504-L508 PolarHBondContact O-N 3Å; P504-L508 VanDerWaalsContact O-N 3.12Å; E505-L508 PolarHBondContact O-N 3.24Å; L508-Q510 PolarHBondContact O-N 3.11Å
509	S	91.2	Very high	74.1	Confident	55 Å²	55	77.1 Å²	77.1	39%	0.385	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.6	178.3	55.9	0	0	0	0	114.3	E505 S506 I507 K512	E505-S509 VanDerWaalsContact O-CB 3.25Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.01Å; E505-S509 PolarHBondContact O-OG 2.67Å; S506-S509 PolarHBondContact O-OG 2.81Å; I507-S509 VanDerWaalsContact C-N 3.3Å; I507-S509 PolarHBondContact O-N 3.33Å; S509-K512 VanDerWaalsContact O-CB 3.26Å; S509-K512 WeakPolarHBondContact O-CB 3.41Å; S509-K512 PolarHBondContact O-N 3.24Å
510	Q	90	Very high	70.9	Confident	64 Å²	64	86.9 Å²	86.9	30%	0.299	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	134.8	178.4	-64.3	175	-0.2	0	0	111.9	P372 W377 I507 L508 K512	P372-Q510 HydrophobicContact CB-CB 4.17Å; W377-Q510 PolarHBondContact NE1-O 3.33Å; I507-Q510 VanDerWaalsContact O-CB 3.3Å; I507-Q510 WeakPolarHBondContact O-CB 3.36Å; I507-Q510 VanDerWaalsContact O-CG 3.29Å; I507-Q510 WeakPolarHBondContact O-CG 3.4Å; I507-Q510 PolarHBondContact O-N 3.1Å; L508-Q510 PolarHBondContact O-N 3.11Å; Q510-K512 PolarHBondContact O-N 3.42Å; Q510-K512 VanDerWaalsContact O-N 3.09Å
511	G	86.1	Confident	68.1	Low	20 Å²	20	87.5 Å²	87.5	21%	0.206	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	9.9	178.2	0	0	0	0	0	114.5	P372 N374 T513	P372-G511 WeakPolarHBondContact O-CA 3.19Å; N374-G511 WeakPolarHBondContact CB-O 3.47Å; G511-T513 PolarHBondContact O-N 2.88Å
512	K	82	Confident	65.2	Low	114 Å²	114	90.1 Å²	90.1	50%	0.496	51%	0.509	S	S	.	.			trans	-69.1	97.8	176	-168.9	-178.4	-169.5	172.9	0	109	W377 S509 Q510 T514	W377-K512 HydrophobicContact CD2-CG 4.24Å; W377-K512 HydrophobicContact CH2-CD 3.81Å; W377-K512 VanDerWaalsContact CH2-CE 3.47Å; W377-K512 HydrophobicContact CH2-CG 4.24Å; W377-K512 HydrophobicContact CZ2-CB 4.12Å; W377-K512 HydrophobicContact CZ2-CD 3.52Å; W377-K512 HydrophobicContact CZ2-CG 3.8Å; S509-K512 VanDerWaalsContact O-CB 3.26Å; S509-K512 WeakPolarHBondContact O-CB 3.41Å; S509-K512 PolarHBondContact O-N 3.24Å; Q510-K512 PolarHBondContact O-N 3.42Å; Q510-K512 VanDerWaalsContact O-N 3.09Å; K512-T514 PolarHBondContact O-N 3.49Å
513	T	66	Low	62.3	Low	96 Å²	96	94.5 Å²	94.5	59%	0.589	54%	0.541	S	S	*	.			trans	-67.3	122	170.7	-6.2	0	0	0	0	108	G511 R515	G511-T513 PolarHBondContact O-N 2.88Å; T513-R515 PolarHBondContact O-N 3.44Å
514	T	48	Very low	59.7	Low	119 Å²	119	101.3 Å²	101.3	73%	0.73	57%	0.567	S	S	*	*			trans	-56.8	128.9	156.7	40.3	0	0	0	0	106	K512 T516	K512-T514 PolarHBondContact O-N 3.49Å; T514-T516 VanDerWaalsContact C-N 3.29Å; T514-T516 PolarHBondContact O-N 2.76Å
515	R	34.3	Very low	57.1	Low	255 Å²	255	109.3 Å²	109.3	96%	0.962	59%	0.592	S	S	*	*			trans	-53.8	94.9	175.8	-87.4	174.5	142.5	-176.9	-5.9	109.1	T513	T513-R515 PolarHBondContact O-N 3.44Å
516	T	30.6	Very low	54.2	Low	117 Å²	117	114.2 Å²	114.2	72%	0.718	61%	0.606	S	S	*	*			trans	-98.1	127.8	156.2	45.2	0	0	0	0	106.4	T514	T514-T516 VanDerWaalsContact C-N 3.29Å; T514-T516 PolarHBondContact O-N 2.76Å
517	C	25.9	Very low	51.3	Low	122 Å²	122	117.1 Å²	117.1	82%	0.824	61%	0.613	S	S	*	*			trans	-52.2	145.6	-169.8	-72	0	0	0	0	112.9	S519	C517-S519 PolarHBondContact O-N 2.78Å; C517-S519 VanDerWaalsContact O-N 3.11Å
518	P	31.9	Very low	48.7	Very low	128 Å²	128	121.7 Å²	121.7	83%	0.831	63%	0.628	S	S	*	*			trans	-66.6	114.2	-177.1	25.9	-30.7	0	0	0	110.2	K520	P518-K520 PolarHBondContact O-N 3.28Å
519	S	30.8	Very low	46.1	Very low	96 Å²	96	127.5 Å²	127.5	67%	0.671	66%	0.655	S	S	*	*			trans	-72.3	122	167.8	55.3	0	0	0	0	108.8	C517 S521	C517-S519 PolarHBondContact O-N 2.78Å; C517-S519 VanDerWaalsContact O-N 3.11Å; S519-S521 PolarHBondContact O-N 3.06Å; S519-S521 VanDerWaalsContact O-N 3.14Å
520	K	29.1	Very low	43.4	Very low	208 Å²	208	133.7 Å²	133.7	90%	0.904	68%	0.678	S	S	*	*			trans	-63.5	108.4	175.2	-67.8	175.3	176.7	177.1	0	109.1	P518	P518-K520 PolarHBondContact O-N 3.28Å
521	S	34.7	Very low	40.7	Very low	78 Å²	78	137.7 Å²	137.7	55%	0.545	70%	0.696	S	S	.	*			trans	-115	58	177.1	62.7	0	0	0	0	112.8	S519	S519-S521 PolarHBondContact O-N 3.06Å; S519-S521 VanDerWaalsContact O-N 3.14Å
522	S	33.7	Very low	38.2	Very low	115 Å²	115	148.3 Å²	148.3	80%	0.804	74%	0.737	S	S	*	*	S	Bend	trans	-92.4	7.9	174.7	48.9	0	0	0	0	115.6
523	S	34.7	Very low	36	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	75%	0.749	S	S	*	*	S	Bend	trans	-128.1	7.3	-173.3	-47.1	0	0	0	0	116.8	R525	S523-R525 PolarHBondContact O-N 3.27Å
524	R	40.6	Very low	34.5	Very low	146 Å²	146	152.9 Å²	152.9	55%	0.551	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-84	-5.9	-170.2	-74.1	-173.1	-172.6	-179.6	6.1	116.7	D358 R526	D358-R524 IonicContact OD1-NH1 3.53Å; D358-R524 PolarHBondContact OD1-NH1 3.15Å; D358-R524 IonicContact OD2-NH1 3.88Å; D358-R524 PolarHBondContact OD2-NH1 3.16Å; R524-R526 PolarHBondContact O-N 3.1Å
525	R	38	Very low	33.7	Very low	209 Å²	209	154.8 Å²	154.8	79%	0.789	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-79.3	2.1	-167.6	-72.9	-174.3	-176.5	-172.1	0.1	117.1	S523	S523-R525 PolarHBondContact O-N 3.27Å
526	R	32.1	Very low	33.7	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-92.2	-17.5	-174.9	-96.3	-173.9	179.8	-173.2	-0.1	116.9	R524 W528	R524-R526 PolarHBondContact O-N 3.1Å; R526-W528 PolarHBondContact O-N 3.31Å
527	I	32.6	Very low	33.9	Very low	143 Å²	143	150.9 Å²	150.9	73%	0.733	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-17.9	-167.9	-62.6	173.4	0	0	0	113.7
528	W	37.8	Very low	34.4	Very low	132 Å²	132	152.8 Å²	152.8	50%	0.5	74%	0.744	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.9	19.5	-176.9	-73.9	101.6	0	0	0	114.9	R526	R526-W528 PolarHBondContact O-N 3.31Å
529	Q	38.8	Very low	34.6	Very low	135 Å²	135	154.6 Å²	154.6	63%	0.631	74%	0.738	S	S	*	*	S	Bend	trans	-85.7	-8.8	170.5	-81.3	-174.7	-24.3	0	0	113.9
530	E	33.4	Very low	34.9	Very low	184 Å²	184	159.1 Å²	159.1	86%	0.86	74%	0.743	S	S	*	*	S	Bend	trans	-103.1	7.5	-174.7	-74.9	-179	170.9	0	0	115.5
531	Q	32.8	Very low	35.3	Very low	149 Å²	149	155 Å²	155	70%	0.696	73%	0.729	S	S	*	*			trans	-115.7	77.6	163.9	-72.3	-171.6	-7.7	0	0	108.8
532	K	34.8	Very low	35.4	Very low	243 Å²	243	162 Å²	162	100%	1.057	75%	0.746	S	S	*	*			trans	-86.3	0	161	-96.5	-172	176.3	-177.4	0	109.5

Retrieved 532 of 532 residues in 439.9 ms (Link to these results)

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