A0A5K4EZK0_SCHMA Loading...

RNA exonuclease 4

Exoribonuclease involved in ribosome biosynthesis. Involved in the processing of ITS1, the internal transcribed spacer localized between the 18S and 5.8S rRNAs.

AlphaFold DB , UniProt , Accession A0A5K4EZK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	51.1	Low	238 Å²	238	159.5 Å²	159.5	100%	1.172	80%	0.802	S	S	*	*				0	136.6	0	-74.3	-170.3	156.1	0	0	109.2	N3	M1-N3 PolarHBondContact O-N 3.44Å
2	H	48.4	Very low	51.4	Low	193 Å²	193	150.8 Å²	150.8	89%	0.894	77%	0.767	S	S	*	*			trans	-67.5	119.9	-166.5	-77.8	44	0	0	0	113.5
3	N	49.3	Very low	51.9	Low	166 Å²	166	150.1 Å²	150.1	89%	0.888	76%	0.756	S	S	*	*			trans	-96.1	104.1	164.5	-88.8	-21.1	0	0	0	109.8	M1	M1-N3 PolarHBondContact O-N 3.44Å
4	K	56.1	Low	52.4	Low	193 Å²	193	148.3 Å²	148.3	84%	0.839	74%	0.743	S	S	*	*			trans	-72.1	132.9	168.3	-86.9	178.8	175.9	175.8	0	109.9	K6	K4-K6 PolarHBondContact O-N 3.32Å
5	P	54.2	Low	52.8	Low	118 Å²	118	145.7 Å²	145.7	77%	0.766	73%	0.726	S	S	*	*			trans	-72.8	123.5	174.7	28.2	-30.2	0	0	0	110.5	S7	P5-S7 PolarHBondContact O-N 3.38Å
6	K	51.6	Low	53.2	Low	214 Å²	214	145.1 Å²	145.1	93%	0.93	72%	0.717	S	S	*	*			trans	-80.1	91.7	167.4	-69.3	178.8	-179.4	174.5	0	108.9	K4	K4-K6 PolarHBondContact O-N 3.32Å
7	S	52.1	Low	53.6	Low	91 Å²	91	142.6 Å²	142.6	64%	0.636	71%	0.707	S	S	*	*			trans	-151.9	121.6	163.1	64.4	0	0	0	0	110.3	P5	P5-S7 PolarHBondContact O-N 3.38Å
8	N	52.1	Low	53.9	Low	136 Å²	136	141.2 Å²	141.2	73%	0.727	70%	0.698	S	S	*	*			trans	165.4	3.2	153.2	-87.7	-23.5	0	0	0	115
9	H	52.2	Low	54	Low	157 Å²	157	139.1 Å²	139.1	73%	0.727	69%	0.689	S	S	*	*	H	α-helix	trans	-85.3	-19.8	-178.1	-118	24	0	0	0	116.1
10	N	54.5	Low	54.1	Low	129 Å²	129	136.9 Å²	136.9	69%	0.69	68%	0.679	S	S	*	*	H	α-helix	trans	-82.1	-35.4	179.9	-76.8	-13	0	0	0	113.6	S12 K13 E14	N10-S12 VanDerWaalsContact C-N 3.3Å; N10-S12 PolarHBondContact O-N 2.83Å; N10-K13 PolarHBondContact O-N 3.47Å; N10-E14 PolarHBondContact O-N 3.3Å
11	H	52.9	Low	54.3	Low	120 Å²	120	134.2 Å²	134.2	56%	0.556	67%	0.667	S	S	*	*	H	α-helix	trans	-69.2	-26	-177.7	-117.9	-12.2	0	0	0	114	E14 K15	H11-E14 IonicContact ND1-OE2 3.61Å; H11-K15 WeakPolarHBondContact O-CG 3.49Å; H11-K15 PolarHBondContact O-N 3.29Å
12	S	54.7	Low	55	Low	55 Å²	55	126.4 Å²	126.4	39%	0.385	63%	0.63	S	S	.	*	H	α-helix	trans	-69.6	-35.8	175.2	-176.6	0	0	0	0	112.6	N10 K16	N10-S12 VanDerWaalsContact C-N 3.3Å; N10-S12 PolarHBondContact O-N 2.83Å; S12-K16 WeakPolarHBondContact O-CG 3.35Å; S12-K16 PolarHBondContact O-N 3.42Å
13	K	58.3	Low	55.3	Low	141 Å²	141	123.8 Å²	123.8	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-71.3	-41.9	179.9	-73	-176.6	178.9	176.5	0	111.8	N10 K16 N17	N10-K13 PolarHBondContact O-N 3.47Å; K13-K16 PolarHBondContact O-N 3.37Å; K13-N17 PolarHBondContact O-N 3.37Å
14	E	58.6	Low	55.5	Low	125 Å²	125	122.9 Å²	122.9	58%	0.584	60%	0.604	S	S	*	*	H	α-helix	trans	-64.4	-45.6	176.7	-81.7	-179.8	147.3	0	0	112.9	N10 H11 K16 N17 H18	N10-E14 PolarHBondContact O-N 3.3Å; H11-E14 IonicContact ND1-OE2 3.61Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 3.23Å; E14-N17 PolarHBondContact O-N 3.36Å; E14-N17 VanDerWaalsContact O-N 3.14Å; E14-H18 PolarHBondContact O-N 3.45Å
15	K	58.3	Low	55.4	Low	110 Å²	110	120.5 Å²	120.5	48%	0.478	59%	0.594	S	S	.	*	H	α-helix	trans	-60.8	-40.2	177.6	-75.3	-178.6	176	-176.4	0	112	H11 H18 L19 Y384	H11-K15 WeakPolarHBondContact O-CG 3.49Å; H11-K15 PolarHBondContact O-N 3.29Å; K15-H18 PolarHBondContact O-N 3.3Å; K15-L19 PolarHBondContact O-N 3.47Å; K15-L19 VanDerWaalsContact O-N 3.13Å; K15-Y384 WeakPolarHBondContact CD-OH 3.25Å; K15-Y384 WeakPolarHBondContact CE-OH 3.39Å; K15-Y384 PolarHBondContact NZ-OH 3.32Å
16	K	58.6	Low	55.2	Low	136 Å²	136	122.8 Å²	122.8	59%	0.591	59%	0.592	S	S	*	*	H	α-helix	trans	-63.3	-42.8	174.2	-76.4	179.1	-179	177.4	0	111.7	S12 K13 E14 L19 L20	S12-K16 WeakPolarHBondContact O-CG 3.35Å; S12-K16 PolarHBondContact O-N 3.42Å; K13-K16 PolarHBondContact O-N 3.37Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 3.23Å; K16-L19 PolarHBondContact O-N 3.23Å; K16-L20 WeakPolarHBondContact O-CD1 3.39Å; K16-L20 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-N 3.09Å
17	N	60.5	Low	55.2	Low	102 Å²	102	118.9 Å²	118.9	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-63.4	-44.4	176.6	-84.7	-17.9	0	0	0	112.4	K13 E14 L19 L20 I21	K13-N17 PolarHBondContact O-N 3.37Å; E14-N17 PolarHBondContact O-N 3.36Å; E14-N17 VanDerWaalsContact O-N 3.14Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 3.19Å; N17-L20 PolarHBondContact O-N 3.44Å; N17-I21 VanDerWaalsContact O-CG1 3.3Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.04Å
18	H	59.5	Low	55.5	Low	118 Å²	118	117.9 Å²	117.9	55%	0.546	57%	0.568	S	S	.	*	H	α-helix	trans	-63.7	-39	179.9	-149.2	-79.9	0	0	0	112.2	E14 K15 I21 N22	E14-H18 PolarHBondContact O-N 3.45Å; K15-H18 PolarHBondContact O-N 3.3Å; H18-I21 PolarHBondContact O-N 3.44Å; H18-N22 PolarHBondContact O-N 3.14Å
19	L	54.9	Low	55.7	Low	100 Å²	100	119.2 Å²	119.2	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-66.9	-37.9	175.3	-163.1	74.8	0	0	0	112.2	K15 K16 N17 K23	K15-L19 PolarHBondContact O-N 3.47Å; K15-L19 VanDerWaalsContact O-N 3.13Å; K16-L19 PolarHBondContact O-N 3.23Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 3.19Å; L19-K23 WeakPolarHBondContact O-CB 3.19Å; L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 3.23Å
20	L	56.4	Low	55.9	Low	95 Å²	95	119.2 Å²	119.2	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-42.5	173.6	-98.4	97.6	0	0	0	111.9	K16 N17 K23 K24	K16-L20 WeakPolarHBondContact O-CD1 3.39Å; K16-L20 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-N 3.09Å; N17-L20 PolarHBondContact O-N 3.44Å; L20-K23 PolarHBondContact O-N 3.38Å; L20-K24 WeakPolarHBondContact O-CB 3.33Å; L20-K24 WeakPolarHBondContact O-CG 3.49Å; L20-K24 PolarHBondContact O-N 3.46Å
21	I	57.9	Low	56.5	Low	82 Å²	82	116.8 Å²	116.8	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-45.5	177.9	-67.8	164.3	0	0	0	110.2	N17 H18 K24 K25	N17-I21 VanDerWaalsContact O-CG1 3.3Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.04Å; H18-I21 PolarHBondContact O-N 3.44Å; I21-K24 PolarHBondContact O-N 3.13Å; I21-K25 HydrophobicContact CG2-CD 4.38Å; I21-K25 PolarHBondContact O-N 2.93Å
22	N	55.1	Low	57.2	Low	73 Å²	73	114.5 Å²	114.5	39%	0.39	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-41.2	177.8	-77.6	-14.5	0	0	0	112.4	H18 K24 K25 F26	H18-N22 PolarHBondContact O-N 3.14Å; N22-K24 VanDerWaalsContact C-N 3.35Å; N22-K24 PolarHBondContact O-N 2.9Å; N22-K25 PolarHBondContact O-N 3.2Å; N22-F26 PolarHBondContact O-N 3.5Å
23	K	53.4	Low	58	Low	139 Å²	139	120.7 Å²	120.7	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-62	-40.1	172.9	-77.8	176.2	179.2	171.3	0	112.1	L19 L20 K27	L19-K23 WeakPolarHBondContact O-CB 3.19Å; L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 3.23Å; L20-K23 PolarHBondContact O-N 3.38Å; K23-K27 VanDerWaalsContact O-CB 3.32Å; K23-K27 WeakPolarHBondContact O-CB 3.2Å; K23-K27 PolarHBondContact O-N 3.36Å
24	K	53.4	Low	58.6	Low	147 Å²	147	116.9 Å²	116.9	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-45.7	175.1	-75.7	179.2	-179.8	-178.6	0	111.4	L20 I21 N22 K27 S28	L20-K24 WeakPolarHBondContact O-CB 3.33Å; L20-K24 WeakPolarHBondContact O-CG 3.49Å; L20-K24 PolarHBondContact O-N 3.46Å; I21-K24 PolarHBondContact O-N 3.13Å; N22-K24 VanDerWaalsContact C-N 3.35Å; N22-K24 PolarHBondContact O-N 2.9Å; K24-K27 PolarHBondContact O-N 2.98Å; K24-S28 WeakPolarHBondContact O-CB 3.34Å; K24-S28 PolarHBondContact O-N 2.74Å
25	K	53.8	Low	59.3	Low	142 Å²	142	116.1 Å²	116.1	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-44.1	176	-75.8	-175.5	179	179.9	0	112	I21 N22 S28 K29	I21-K25 HydrophobicContact CG2-CD 4.38Å; I21-K25 PolarHBondContact O-N 2.93Å; N22-K25 PolarHBondContact O-N 3.2Å; K25-S28 PolarHBondContact O-N 3Å; K25-K29 PolarHBondContact O-N 3.33Å
26	F	49.9	Very low	60.3	Low	167 Å²	167	114.8 Å²	114.8	73%	0.732	54%	0.541	S	S	*	.	H	α-helix	trans	-65.4	-41.7	177.4	-115.3	-86.5	0	0	0	112.8	N22 K29 Y30	N22-F26 PolarHBondContact O-N 3.5Å; F26-K29 PolarHBondContact O-N 3.41Å; F26-Y30 WeakPolarHBondContact O-CB 3.46Å; F26-Y30 PolarHBondContact O-N 2.98Å
27	K	52.6	Low	61.1	Low	132 Å²	132	112.8 Å²	112.8	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-44.8	176.5	-170	176.1	-179.9	-177	0	111.3	K23 K24 Y30 D31	K23-K27 VanDerWaalsContact O-CB 3.32Å; K23-K27 WeakPolarHBondContact O-CB 3.2Å; K23-K27 PolarHBondContact O-N 3.36Å; K24-K27 PolarHBondContact O-N 2.98Å; K27-Y30 PolarHBondContact O-N 3.39Å; K27-D31 WeakPolarHBondContact O-CB 3.44Å; K27-D31 PolarHBondContact O-N 2.91Å
28	S	58.1	Low	61.8	Low	69 Å²	69	111.6 Å²	111.6	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-55.4	-51	172.6	157.3	0	0	0	0	111.6	K24 K25 Y30 D31 S32	K24-S28 WeakPolarHBondContact O-CB 3.34Å; K24-S28 PolarHBondContact O-N 2.74Å; K25-S28 PolarHBondContact O-N 3Å; S28-Y30 VanDerWaalsContact C-N 3.33Å; S28-Y30 PolarHBondContact O-N 3.25Å; S28-D31 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-N 3.04Å; S28-S32 PolarHBondContact O-OG 3.49Å; S28-S32 VanDerWaalsContact O-OG 3.05Å
29	K	56.5	Low	62.7	Low	165 Å²	165	110.2 Å²	110.2	72%	0.717	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-36.6	-178.7	-155.8	172.5	-172.1	173.5	0	112.6	K25 F26 R33	K25-K29 PolarHBondContact O-N 3.33Å; F26-K29 PolarHBondContact O-N 3.41Å; K29-R33 PolarHBondContact O-N 2.77Å; K29-R33 VanDerWaalsContact O-N 3.15Å
30	Y	55.9	Low	63.9	Low	156 Å²	156	112.9 Å²	112.9	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-67.7	-45.9	174.9	-175.8	-92.7	0	0	0	111.9	F26 K27 S28 S32 R33 I34	F26-Y30 WeakPolarHBondContact O-CB 3.46Å; F26-Y30 PolarHBondContact O-N 2.98Å; K27-Y30 PolarHBondContact O-N 3.39Å; S28-Y30 VanDerWaalsContact C-N 3.33Å; S28-Y30 PolarHBondContact O-N 3.25Å; Y30-S32 VanDerWaalsContact C-N 3.34Å; Y30-S32 PolarHBondContact O-N 3.33Å; Y30-R33 PolarHBondContact O-N 3.09Å; Y30-I34 HydrophobicContact CD1-CG1 4.06Å; Y30-I34 HydrophobicContact CE1-CD1 4.24Å; Y30-I34 HydrophobicContact CE1-CG1 3.68Å; Y30-I34 WeakPolarHBondContact O-CG1 3.37Å; Y30-I34 PolarHBondContact O-N 3.47Å
31	D	67.3	Low	64.9	Low	79 Å²	79	111.3 Å²	111.3	42%	0.422	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-40.3	178.5	-72.5	-22.6	0	0	0	111	K27 S28 R33 I34 H35	K27-D31 WeakPolarHBondContact O-CB 3.44Å; K27-D31 PolarHBondContact O-N 2.91Å; S28-D31 PolarHBondContact O-N 3.09Å; D31-R33 PolarHBondContact O-N 3.4Å; D31-I34 PolarHBondContact O-N 2.99Å; D31-H35 WeakPolarHBondContact O-CB 3.37Å; D31-H35 PolarHBondContact O-N 3.35Å
32	S	68.3	Low	65.9	Low	71 Å²	71	111.8 Å²	111.8	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-41.1	173.6	-61	0	0	0	0	112.8	S28 Y30 H35 L36	S28-S32 PolarHBondContact O-N 3.04Å; S28-S32 PolarHBondContact O-OG 3.49Å; S28-S32 VanDerWaalsContact O-OG 3.05Å; Y30-S32 VanDerWaalsContact C-N 3.34Å; Y30-S32 PolarHBondContact O-N 3.33Å; S32-H35 WeakPolarHBondContact O-CB 3.48Å; S32-H35 PolarHBondContact O-N 2.86Å; S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 2.91Å
33	R	70.3	Confident	67.1	Low	186 Å²	186	114.3 Å²	114.3	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-68.6	-39.7	178.3	-170.6	174.4	178.4	147.3	1.2	111.9	K29 Y30 D31 H35 L36 I37	K29-R33 PolarHBondContact O-N 2.77Å; K29-R33 VanDerWaalsContact O-N 3.15Å; Y30-R33 PolarHBondContact O-N 3.09Å; D31-R33 PolarHBondContact O-N 3.4Å; R33-H35 VanDerWaalsContact C-N 3.34Å; R33-L36 PolarHBondContact O-N 3.47Å; R33-I37 HydrophobicContact CG-CD1 4.39Å; R33-I37 VanDerWaalsContact O-CG1 3.3Å; R33-I37 WeakPolarHBondContact O-CG1 3.42Å; R33-I37 PolarHBondContact O-N 3.22Å
34	I	72.1	Confident	68.5	Low	60 Å²	60	113.3 Å²	113.3	31%	0.308	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-39.8	174.7	-65.6	-65.8	0	0	0	110.6	Y30 D31 I37 K38	Y30-I34 HydrophobicContact CD1-CG1 4.06Å; Y30-I34 HydrophobicContact CE1-CD1 4.24Å; Y30-I34 HydrophobicContact CE1-CG1 3.68Å; Y30-I34 WeakPolarHBondContact O-CG1 3.37Å; Y30-I34 PolarHBondContact O-N 3.47Å; D31-I34 PolarHBondContact O-N 2.99Å; I34-I37 PolarHBondContact O-N 3.04Å; I34-K38 HydrophobicContact CG2-CD 4.49Å; I34-K38 WeakPolarHBondContact O-CG 3.4Å; I34-K38 PolarHBondContact O-N 2.92Å
35	H	73.5	Confident	69.8	Low	109 Å²	109	112.6 Å²	112.6	51%	0.505	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-45.7	174.5	-173.4	-99.2	0	0	0	111.8	D31 S32 R33 I37 K38 Q39	D31-H35 WeakPolarHBondContact O-CB 3.37Å; D31-H35 PolarHBondContact O-N 3.35Å; S32-H35 WeakPolarHBondContact O-CB 3.48Å; S32-H35 PolarHBondContact O-N 2.86Å; R33-H35 VanDerWaalsContact C-N 3.34Å; H35-I37 PolarHBondContact O-N 3.37Å; H35-K38 WeakPolarHBondContact O-CB 3.42Å; H35-K38 PolarHBondContact O-N 3.01Å; H35-Q39 PolarHBondContact CE1-NE2 2.99Å; H35-Q39 PolarHBondContact O-N 3.36Å
36	L	77.8	Confident	71.1	Confident	83 Å²	83	114.3 Å²	114.3	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-40.5	177.1	-172	65.4	0	0	0	112.4	S32 R33 Q39 R40	S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 2.91Å; R33-L36 PolarHBondContact O-N 3.47Å; L36-Q39 PolarHBondContact O-N 2.9Å; L36-R40 PolarHBondContact O-N 3.05Å
37	I	77.1	Confident	72.5	Confident	93 Å²	93	109.3 Å²	109.3	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-45.5	174.7	-69.2	165.6	0	0	0	110.2	R33 I34 H35 R40 T41	R33-I37 HydrophobicContact CG-CD1 4.39Å; R33-I37 VanDerWaalsContact O-CG1 3.3Å; R33-I37 WeakPolarHBondContact O-CG1 3.42Å; R33-I37 PolarHBondContact O-N 3.22Å; I34-I37 PolarHBondContact O-N 3.04Å; H35-I37 PolarHBondContact O-N 3.37Å; I37-R40 PolarHBondContact O-N 3.44Å; I37-T41 PolarHBondContact O-N 2.84Å; I37-T41 PolarHBondContact O-OG1 3.43Å
38	K	74.9	Confident	73.9	Confident	78 Å²	78	108.3 Å²	108.3	34%	0.339	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-46.3	177.2	-76.3	-179.7	176.2	-174.8	0	111.7	I34 H35 R40 T41 I42	I34-K38 HydrophobicContact CG2-CD 4.49Å; I34-K38 WeakPolarHBondContact O-CG 3.4Å; I34-K38 PolarHBondContact O-N 2.92Å; H35-K38 WeakPolarHBondContact O-CB 3.42Å; H35-K38 PolarHBondContact O-N 3.01Å; K38-R40 PolarHBondContact O-N 3.37Å; K38-T41 WeakPolarHBondContact CA-OG1 3.46Å; K38-T41 PolarHBondContact O-N 3.38Å; K38-T41 PolarHBondContact O-OG1 2.96Å; K38-I42 VanDerWaalsContact O-CG1 3.3Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3.25Å
39	Q	77.1	Confident	74.9	Confident	88 Å²	88	111.6 Å²	111.6	41%	0.411	52%	0.515	S	S	.	.	H	α-helix	trans	-59.8	-45.6	177.4	-76	-168.4	-18.4	0	0	111.9	H35 L36 T41 I42 Q43	H35-Q39 PolarHBondContact CE1-NE2 2.99Å; H35-Q39 PolarHBondContact O-N 3.36Å; L36-Q39 PolarHBondContact O-N 2.9Å; Q39-T41 VanDerWaalsContact C-N 3.31Å; Q39-T41 PolarHBondContact O-N 3.05Å; Q39-I42 PolarHBondContact O-N 3.24Å; Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 3.07Å
40	R	80.8	Confident	76.1	Confident	157 Å²	157	107.3 Å²	107.3	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-60.5	-39.6	174.6	-75.4	-177.9	177.2	176	-0.9	112.5	L36 I37 K38 Q43 Q44	L36-R40 PolarHBondContact O-N 3.05Å; I37-R40 PolarHBondContact O-N 3.44Å; K38-R40 PolarHBondContact O-N 3.37Å; R40-Q43 PolarHBondContact O-N 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.38Å; R40-Q44 PolarHBondContact O-N 3.1Å
41	T	78	Confident	77.2	Confident	62 Å²	62	102.5 Å²	102.5	38%	0.38	49%	0.491	S	S	.	.	H	α-helix	trans	-67.9	-36.8	177.6	-2.2	0	0	0	0	112	I37 K38 Q39 R45	I37-T41 PolarHBondContact O-N 2.84Å; I37-T41 PolarHBondContact O-OG1 3.43Å; K38-T41 WeakPolarHBondContact CA-OG1 3.46Å; K38-T41 PolarHBondContact O-N 3.38Å; K38-T41 PolarHBondContact O-OG1 2.96Å; Q39-T41 VanDerWaalsContact C-N 3.31Å; Q39-T41 PolarHBondContact O-N 3.05Å; T41-R45 WeakPolarHBondContact O-CG 3.18Å; T41-R45 PolarHBondContact O-N 3.48Å
42	I	77.3	Confident	77.7	Confident	91 Å²	91	107.2 Å²	107.2	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-44.2	175.3	-68.2	164.5	0	0	0	110.4	K38 Q39 R45 R46	K38-I42 VanDerWaalsContact O-CG1 3.3Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3.25Å; Q39-I42 PolarHBondContact O-N 3.24Å; I42-R45 PolarHBondContact O-N 2.85Å; I42-R46 WeakPolarHBondContact O-CG 3.5Å; I42-R46 PolarHBondContact O-N 3.31Å
43	Q	80.6	Confident	78	Confident	127 Å²	127	106.2 Å²	106.2	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-61	-44.8	176.3	-74.5	175.1	-13.8	0	0	112	Q39 R40 R45 R46 A47	Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 3.07Å; R40-Q43 PolarHBondContact O-N 3.29Å; Q43-R45 PolarHBondContact O-N 3.2Å; Q43-R46 PolarHBondContact O-N 2.76Å; Q43-A47 PolarHBondContact O-N 3.3Å
44	Q	82.4	Confident	78	Confident	118 Å²	118	103.1 Å²	103.1	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-59.1	-46.7	175.4	-76.2	175.9	-17.8	0	0	111.9	R40 R46 A47 E48	R40-Q44 WeakPolarHBondContact O-CG 3.38Å; R40-Q44 PolarHBondContact O-N 3.1Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.47Å; Q44-A47 PolarHBondContact O-N 3.33Å; Q44-E48 WeakPolarHBondContact O-CG 3.33Å; Q44-E48 PolarHBondContact O-N 3.34Å
45	R	81.6	Confident	77.9	Confident	132 Å²	132	107.2 Å²	107.2	50%	0.498	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-36.7	177	-74.6	-176.8	176.7	-164.8	-0.9	113	T41 I42 Q43 E48 F49 V322	T41-R45 WeakPolarHBondContact O-CG 3.18Å; T41-R45 PolarHBondContact O-N 3.48Å; I42-R45 PolarHBondContact O-N 2.85Å; Q43-R45 PolarHBondContact O-N 3.2Å; R45-E48 PolarHBondContact O-N 3.46Å; R45-F49 WeakPolarHBondContact O-CB 3.46Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-V322 PolarHBondContact NH1-O 2.79Å
46	R	81	Confident	77.4	Confident	178 Å²	178	108.4 Å²	108.4	67%	0.672	51%	0.509	S	S	*	.	H	α-helix	trans	-64.3	-44.4	174.1	-78.1	-178.6	170.9	176.4	-3.9	111.3	I42 Q43 Q44 F49 V50	I42-R46 WeakPolarHBondContact O-CG 3.5Å; I42-R46 PolarHBondContact O-N 3.31Å; Q43-R46 PolarHBondContact O-N 2.76Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.47Å; R46-F49 PolarHBondContact O-N 3.01Å; R46-V50 WeakPolarHBondContact O-CG2 3.31Å; R46-V50 PolarHBondContact O-N 3.22Å
47	A	79.6	Confident	76.5	Confident	62 Å²	62	112 Å²	112	51%	0.512	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176	0	0	0	0	0	112.2	Q43 Q44 F49 V50 S51	Q43-A47 PolarHBondContact O-N 3.3Å; Q44-A47 PolarHBondContact O-N 3.33Å; A47-F49 VanDerWaalsContact C-N 3.32Å; A47-F49 PolarHBondContact O-N 3.15Å; A47-V50 PolarHBondContact O-N 3.36Å; A47-S51 WeakPolarHBondContact O-CB 3.22Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 2.86Å
48	E	80.9	Confident	75.6	Confident	111 Å²	111	111.1 Å²	111.1	52%	0.519	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-36.6	173.2	-73.2	172.8	-172.2	0	0	112.4	Q44 R45 S51 R52	Q44-E48 WeakPolarHBondContact O-CG 3.33Å; Q44-E48 PolarHBondContact O-N 3.34Å; R45-E48 PolarHBondContact O-N 3.46Å; E48-S51 WeakPolarHBondContact CA-OG 3.34Å; E48-S51 PolarHBondContact O-OG 3.13Å; E48-R52 WeakPolarHBondContact O-CG 3.36Å; E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.14Å
49	F	80.6	Confident	74.7	Confident	138 Å²	138	112.6 Å²	112.6	61%	0.605	53%	0.532	S	S	*	.	H	α-helix	trans	-68.9	-48.2	176	-176	-96.2	0	0	0	111.9	R45 R46 A47 S51 R52 T53	R45-F49 WeakPolarHBondContact O-CB 3.46Å; R45-F49 PolarHBondContact O-N 2.91Å; R46-F49 PolarHBondContact O-N 3.01Å; A47-F49 VanDerWaalsContact C-N 3.32Å; A47-F49 PolarHBondContact O-N 3.15Å; F49-S51 PolarHBondContact O-N 3.48Å; F49-R52 PolarHBondContact O-N 2.95Å; F49-R52 VanDerWaalsContact O-N 3.16Å; F49-T53 HydrophobicContact CD1-CG2 4.18Å; F49-T53 HydrophobicContact CE1-CG2 3.75Å; F49-T53 HydrophobicContact CE2-CG2 4.49Å; F49-T53 HydrophobicContact CZ-CG2 3.93Å; F49-T53 PolarHBondContact O-N 3.17Å; F49-T53 PolarHBondContact O-OG1 2.92Å
50	V	81.2	Confident	73.6	Confident	74 Å²	74	112.5 Å²	112.5	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-58.8	-47.1	178.4	173.1	0	0	0	0	110.8	R46 A47 R52 T53 Q54	R46-V50 WeakPolarHBondContact O-CG2 3.31Å; R46-V50 PolarHBondContact O-N 3.22Å; A47-V50 PolarHBondContact O-N 3.36Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 2.8Å; V50-T53 WeakPolarHBondContact CA-OG1 3.34Å; V50-T53 PolarHBondContact O-N 3.35Å; V50-T53 VanDerWaalsContact O-N 3.16Å; V50-T53 PolarHBondContact O-OG1 2.89Å; V50-Q54 PolarHBondContact O-N 3Å
51	S	79.1	Confident	72.3	Confident	55 Å²	55	108.7 Å²	108.7	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-34.1	177.4	54.3	0	0	0	0	113.4	A47 E48 F49 K55	A47-S51 WeakPolarHBondContact O-CB 3.22Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 2.86Å; E48-S51 WeakPolarHBondContact CA-OG 3.34Å; E48-S51 PolarHBondContact O-OG 3.13Å; F49-S51 PolarHBondContact O-N 3.48Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 3.37Å; S51-K55 VanDerWaalsContact O-N 3.12Å
52	R	77.7	Confident	71	Confident	179 Å²	179	110.5 Å²	110.5	68%	0.675	54%	0.539	S	S	*	.	H	α-helix	trans	-67.3	-42.9	171.7	-79.2	177.9	-179.5	-165.3	-0.1	112.4	E48 F49 V50 K55 Q56	E48-R52 WeakPolarHBondContact O-CG 3.36Å; E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.14Å; F49-R52 PolarHBondContact O-N 2.95Å; F49-R52 VanDerWaalsContact O-N 3.16Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 2.8Å; R52-K55 PolarHBondContact O-N 3.05Å; R52-Q56 PolarHBondContact O-N 3.45Å
53	T	74.2	Confident	69.5	Low	49 Å²	49	115.5 Å²	115.5	30%	0.301	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-36.7	178.3	54.9	0	0	0	0	112.5	F49 V50 Q56 K57	F49-T53 HydrophobicContact CD1-CG2 4.18Å; F49-T53 HydrophobicContact CE1-CG2 3.75Å; F49-T53 HydrophobicContact CE2-CG2 4.49Å; F49-T53 HydrophobicContact CZ-CG2 3.93Å; F49-T53 PolarHBondContact O-N 3.17Å; F49-T53 PolarHBondContact O-OG1 2.92Å; V50-T53 WeakPolarHBondContact CA-OG1 3.34Å; V50-T53 PolarHBondContact O-N 3.35Å; V50-T53 VanDerWaalsContact O-N 3.16Å; V50-T53 PolarHBondContact O-OG1 2.89Å; T53-Q56 PolarHBondContact O-N 2.83Å; T53-K57 PolarHBondContact O-N 3.13Å
54	Q	71.4	Confident	68	Low	121 Å²	121	113.5 Å²	113.5	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-44.2	173.7	-74.8	176	-14.5	0	0	111.6	V50 Q56 K57 T58	V50-Q54 PolarHBondContact O-N 3Å; Q54-Q56 VanDerWaalsContact C-N 3.29Å; Q54-Q56 PolarHBondContact O-N 3.46Å; Q54-K57 PolarHBondContact O-N 3.34Å; Q54-T58 PolarHBondContact O-N 2.84Å; Q54-T58 PolarHBondContact O-OG1 2.97Å
55	K	69.1	Low	66.3	Low	147 Å²	147	114.2 Å²	114.2	64%	0.639	55%	0.552	S	S	*	*	H	α-helix	trans	-61.8	-33.6	175	-78.8	-174.5	177.2	-171.9	0	113.5	S51 R52 T58 N59	S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 3.37Å; S51-K55 VanDerWaalsContact O-N 3.12Å; R52-K55 PolarHBondContact O-N 3.05Å; K55-T58 PolarHBondContact O-OG1 3.42Å; K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 VanDerWaalsContact O-CG 3.25Å; K55-N59 PolarHBondContact O-N 3.18Å
56	Q	62.3	Low	64.5	Low	134 Å²	134	113.4 Å²	113.4	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-70.2	-41.7	174.7	-75.2	179.7	-13.9	0	0	111.4	R52 T53 Q54 N59 T60	R52-Q56 PolarHBondContact O-N 3.45Å; T53-Q56 PolarHBondContact O-N 2.83Å; Q54-Q56 VanDerWaalsContact C-N 3.29Å; Q54-Q56 PolarHBondContact O-N 3.46Å; Q56-N59 PolarHBondContact O-N 2.93Å; Q56-T60 PolarHBondContact O-N 3.12Å; Q56-T60 VanDerWaalsContact O-N 3.1Å; Q56-T60 PolarHBondContact O-OG1 2.98Å
57	K	60.6	Low	62.7	Low	158 Å²	158	111.7 Å²	111.7	69%	0.687	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-47.2	175	-75.9	-174.3	175.6	-171.8	0	112.1	T53 Q54 N59 T60 T61	T53-K57 PolarHBondContact O-N 3.13Å; Q54-K57 PolarHBondContact O-N 3.34Å; K57-N59 VanDerWaalsContact C-N 3.33Å; K57-N59 PolarHBondContact O-N 3.43Å; K57-T60 PolarHBondContact O-N 3.39Å; K57-T61 PolarHBondContact O-N 3.05Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.05Å
58	T	57.8	Low	60.9	Low	74 Å²	74	116.6 Å²	116.6	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-63.4	-36.3	178.7	57.6	0	0	0	0	112.9	Q54 K55 T60 N62	Q54-T58 PolarHBondContact O-N 2.84Å; Q54-T58 PolarHBondContact O-OG1 2.97Å; K55-T58 PolarHBondContact O-OG1 3.42Å; T58-T60 VanDerWaalsContact C-N 3.26Å; T58-T60 PolarHBondContact O-N 3.44Å; T58-N62 VanDerWaalsContact O-CG 3.26Å; T58-N62 PolarHBondContact O-N 2.88Å; T58-N62 VanDerWaalsContact O-N 3.16Å; T58-N62 PolarHBondContact O-OD1 3.42Å
59	N	55.5	Low	58.9	Low	109 Å²	109	118.5 Å²	118.5	58%	0.583	59%	0.59	S	S	*	*	H	α-helix	trans	-72.7	-19.6	175.8	-73.1	-0.8	0	0	0	113.3	K55 Q56 K57	K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 VanDerWaalsContact O-CG 3.25Å; K55-N59 PolarHBondContact O-N 3.18Å; Q56-N59 PolarHBondContact O-N 2.93Å; K57-N59 VanDerWaalsContact C-N 3.33Å; K57-N59 PolarHBondContact O-N 3.43Å
60	T	53.9	Low	56.8	Low	87 Å²	87	118.8 Å²	118.8	53%	0.534	60%	0.603	S	S	.	*	H	α-helix	trans	-83.1	-42.2	176.4	-39.4	0	0	0	0	109.8	Q56 K57 T58 N62 R63 T64	Q56-T60 PolarHBondContact O-N 3.12Å; Q56-T60 VanDerWaalsContact O-N 3.1Å; Q56-T60 PolarHBondContact O-OG1 2.98Å; K57-T60 PolarHBondContact O-N 3.39Å; T58-T60 VanDerWaalsContact C-N 3.26Å; T58-T60 PolarHBondContact O-N 3.44Å; T60-N62 PolarHBondContact O-N 3.02Å; T60-R63 PolarHBondContact O-N 3.36Å; T60-R63 VanDerWaalsContact O-N 3.14Å; T60-T64 PolarHBondContact O-N 3.47Å; T60-T64 PolarHBondContact O-OG1 3.43Å
61	T	52.7	Low	54.8	Low	76 Å²	76	121 Å²	121	47%	0.466	62%	0.622	S	S	.	*	H	α-helix	trans	-60.8	-44.9	175.6	-42.9	0	0	0	0	112	K57 R63 T64 E65	K57-T61 PolarHBondContact O-N 3.05Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.05Å; T61-R63 PolarHBondContact O-N 3.07Å; T61-T64 PolarHBondContact O-N 3.5Å; T61-E65 PolarHBondContact O-N 3.04Å
62	N	51.4	Low	53.1	Low	101 Å²	101	126 Å²	126	54%	0.54	64%	0.644	S	S	.	*	H	α-helix	trans	-66.9	-18.7	178	-65.6	0.9	0	0	0	113.5	T58 T60 T66	T58-N62 VanDerWaalsContact O-CG 3.26Å; T58-N62 PolarHBondContact O-N 2.88Å; T58-N62 VanDerWaalsContact O-N 3.16Å; T58-N62 PolarHBondContact O-OD1 3.42Å; T60-N62 PolarHBondContact O-N 3.02Å; N62-T66 PolarHBondContact O-OG1 2.93Å; N62-T66 VanDerWaalsContact O-OG1 3.06Å
63	R	46.5	Very low	51.5	Low	195 Å²	195	127 Å²	127	74%	0.736	65%	0.653	S	S	*	*	H	α-helix	trans	-91.6	-22	179.1	-151.1	175.2	-173.7	169.8	1.2	112.3	T60 T61	T60-R63 PolarHBondContact O-N 3.36Å; T60-R63 VanDerWaalsContact O-N 3.14Å; T61-R63 PolarHBondContact O-N 3.07Å
64	T	48.6	Very low	49.9	Very low	86 Å²	86	130.6 Å²	130.6	53%	0.528	68%	0.678	S	S	.	*	H	α-helix	trans	-80.8	-29	174.8	-45.5	0	0	0	0	111.7	T60 T61	T60-T64 PolarHBondContact O-N 3.47Å; T60-T64 PolarHBondContact O-OG1 3.43Å; T61-T64 PolarHBondContact O-N 3.5Å
65	E	46.4	Very low	48.6	Very low	132 Å²	132	135.2 Å²	135.2	62%	0.617	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-18.3	177.2	-70.6	175.5	-177	0	0	113.9	T61	T61-E65 PolarHBondContact O-N 3.04Å
66	T	43.7	Very low	47.1	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-5.2	178.3	-45.1	0	0	0	0	113.8	N62	N62-T66 PolarHBondContact O-OG1 2.93Å; N62-T66 VanDerWaalsContact O-OG1 3.06Å
67	I	43.9	Very low	46.3	Very low	141 Å²	141	134.5 Å²	134.5	72%	0.723	72%	0.715	S	S	*	*	S	Bend	trans	-106.7	0.9	-176.8	-60.6	176	0	0	0	112.6
68	Q	41.3	Very low	45.3	Very low	166 Å²	166	132.7 Å²	132.7	78%	0.776	72%	0.719	S	S	*	*	S	Bend	trans	-104	18.4	-177.3	-72.2	-163.9	-28.1	0	0	116
69	L	38.9	Very low	44.3	Very low	150 Å²	150	136.9 Å²	136.9	79%	0.785	74%	0.739	S	S	*	*	S	Bend	trans	-130.2	74.1	179.8	-80.5	151.7	0	0	0	110.7
70	T	35.8	Very low	43.6	Very low	145 Å²	145	135.9 Å²	135.9	89%	0.89	75%	0.746	S	S	*	*			trans	178	94.7	149	50	0	0	0	0	108.9
71	S	40	Very low	43	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	76%	0.763	S	S	*	*			trans	-147.2	94.2	161.6	63.2	0	0	0	0	109.2
72	D	43.3	Very low	42.2	Very low	160 Å²	160	144 Å²	144	86%	0.856	78%	0.779	S	S	*	*			trans	-92.6	134	172	-83.3	-36.5	0	0	0	110.9
73	K	43.8	Very low	41.6	Very low	199 Å²	199	142.6 Å²	142.6	87%	0.865	79%	0.788	S	S	*	*			trans	84.5	121.4	157.1	-67.5	176.7	-179.6	175.1	0	120.7
74	P	40.1	Very low	41.3	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	79%	0.794	S	S	*	*			trans	-106	151.3	156.6	36.5	-25.4	0	0	0	112.2
75	K	44.6	Very low	40.9	Very low	218 Å²	218	139.4 Å²	139.4	95%	0.948	80%	0.799	S	S	*	*			trans	-142.4	137.1	157.7	-93.9	-172.8	179.1	-178.3	0	110.6
76	A	37.3	Very low	40.6	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	81%	0.805	S	S	*	*			trans	-81.1	161.8	-166.3	0	0	0	0	0	115.6
77	I	45.9	Very low	40.5	Very low	171 Å²	171	141.9 Å²	141.9	88%	0.877	81%	0.812	S	S	*	*			trans	-147	140.9	144.3	-57.2	-174	0	0	0	108.9
78	P	40.3	Very low	40.1	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	82%	0.815	S	S	*	*			trans	-109.1	175.7	-159.7	39.6	-28.3	0	0	0	117.2
79	N	37.5	Very low	39.7	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	82%	0.82	S	S	*	*			trans	-51.3	151.5	-175.7	-65.1	-20.3	0	0	0	119.6
80	A	40.4	Very low	39.6	Very low	88 Å²	88	139 Å²	139	73%	0.727	82%	0.817	S	S	*	*				-170.1	149.7	126.9	0	0	0	0	0	107.3
81	F	40.3	Very low	39.9	Very low	203 Å²	203	139.2 Å²	139.2	89%	0.89	81%	0.808	S	S	*	*			cis	-161.5	162.8	32.8	-132.8	-86.6	0	0	0	109.7
82	T	36.4	Very low	40	Very low	131 Å²	131	138 Å²	138	80%	0.804	80%	0.797	S	S	*	*			trans	-98.7	163.8	-166.6	48.8	0	0	0	0	115.7
83	G	38.9	Very low	39.7	Very low	70 Å²	70	140 Å²	140	72%	0.722	80%	0.798	S	S	*	*			trans	136.1	97.7	153.2	0	0	0	0	0	113.8
84	S	39.6	Very low	39.4	Very low	125 Å²	125	135 Å²	135	87%	0.874	79%	0.789	S	S	*	*				62.9	133.9	93.4	-139.3	0	0	0	0	113.2
85	S	41.3	Very low	39.3	Very low	90 Å²	90	138.4 Å²	138.4	63%	0.629	79%	0.791	S	S	*	*			cis	-166.2	150	19.6	42.1	0	0	0	0	110.8
86	D	38.8	Very low	39.1	Very low	139 Å²	139	136 Å²	136	74%	0.743	79%	0.787	S	S	*	*			trans	40.3	118.9	137.9	-46.8	-25.8	0	0	0	122.2
87	N	42.1	Very low	38.9	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	79%	0.787	S	S	*	*				171.8	140.4	100.8	-91.7	-37.5	0	0	0	113.4
88	S	35.7	Very low	39.1	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	79%	0.789	S	S	*	*			trans	-74	151.9	173.3	51.5	0	0	0	0	114
89	C	33.1	Very low	38.8	Very low	130 Å²	130	143.5 Å²	143.5	88%	0.878	79%	0.791	S	S	*	*				177.2	152.7	123.5	-158.2	0	0	0	0	112.1
90	E	35.5	Very low	39.1	Very low	155 Å²	155	142.9 Å²	142.9	72%	0.724	79%	0.793	S	S	*	*			trans	-79.6	160.9	-173.5	-59.7	-176.4	138.2	0	0	116.4
91	Q	43.3	Very low	38.9	Very low	149 Å²	149	143.2 Å²	143.2	70%	0.696	79%	0.79	S	S	*	*				144.4	149.5	119.1	-76.9	-60.7	-36.7	0	0	114
92	P	42.7	Very low	38.8	Very low	94 Å²	94	139.6 Å²	139.6	61%	0.61	78%	0.784	S	S	*	*			trans	-116	151.6	-170.8	39.7	-27	0	0	0	115.3
93	F	35.7	Very low	38.9	Very low	203 Å²	203	142.6 Å²	142.6	89%	0.89	79%	0.789	S	S	*	*			trans	-169.4	158.2	165.1	-82.8	-81.3	0	0	0	107.9
94	S	38.9	Very low	38.6	Very low	95 Å²	95	148.5 Å²	148.5	66%	0.664	80%	0.795	S	S	*	*			cis	-174.3	146.2	-20.9	48.9	0	0	0	0	107.8
95	K	37	Very low	38.7	Very low	196 Å²	196	150.8 Å²	150.8	85%	0.852	80%	0.796	S	S	*	*			trans	23.4	139.6	149.1	-66.3	178.3	177.8	177	0	121.7
96	L	39.9	Very low	38.6	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	80%	0.797	S	S	*	*			trans	-159	115	136.9	-103.5	160.5	0	0	0	111.4
97	D	34.8	Very low	38.4	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	80%	0.798	S	S	*	*			trans	-89.4	149.4	163.1	-74.9	-51.5	0	0	0	109.7
98	R	48.1	Very low	38.5	Very low	242 Å²	242	149 Å²	149	91%	0.913	80%	0.8	S	S	*	*			trans	-156.4	119.1	145.5	-80.7	-154.7	175.3	159.8	-1.3	112.3
99	D	35.1	Very low	38.5	Very low	154 Å²	154	152.7 Å²	152.7	82%	0.824	80%	0.802	S	S	*	*			trans	-78.8	147.3	161	-69.2	-49	0	0	0	111.5
100	V	43.5	Very low	39	Very low	149 Å²	149	151.4 Å²	151.4	90%	0.903	79%	0.794	S	S	*	*			trans	-150	139.6	145.1	-179.3	0	0	0	0	110
101	S	35.8	Very low	39.4	Very low	96 Å²	96	152.9 Å²	152.9	67%	0.671	80%	0.801	S	S	*	*			trans	-104.4	168.5	-168.2	-53.3	0	0	0	0	114.6
102	V	38.6	Very low	39	Very low	127 Å²	127	150.3 Å²	150.3	77%	0.77	80%	0.799	S	S	*	*			trans	71.8	118.8	151.1	-136	0	0	0	0	120.1
103	E	38.4	Very low	38.9	Very low	193 Å²	193	154 Å²	154	90%	0.902	81%	0.812	S	S	*	*				166.2	164.6	101.4	-93.9	-159.3	169.8	0	0	113.5
104	K	33.7	Very low	39.1	Very low	195 Å²	195	155.2 Å²	155.2	85%	0.848	81%	0.811	S	S	*	*			trans	-122.5	122.3	-149	172.5	-167.5	-169.8	-176	0	108.4
105	I	41.3	Very low	39.3	Very low	172 Å²	172	155.9 Å²	155.9	88%	0.882	81%	0.813	S	S	*	*			trans	-139.1	140.5	163.3	-54.3	-179.5	0	0	0	111.6
106	S	38.3	Very low	39.3	Very low	93 Å²	93	153.9 Å²	153.9	65%	0.65	81%	0.812	S	S	*	*			trans	-85.7	157.2	-163.7	52.2	0	0	0	0	116.6
107	S	35.9	Very low	39.4	Very low	111 Å²	111	155.9 Å²	155.9	78%	0.776	81%	0.813	S	S	*	*			trans	56.8	116.8	133.9	-57	0	0	0	0	121.1
108	V	43.1	Very low	39.7	Very low	147 Å²	147	158.2 Å²	158.2	89%	0.891	82%	0.816	S	S	*	*				-149.2	129.1	129.8	-156.6	0	0	0	0	110.8
109	K	36.8	Very low	39.7	Very low	191 Å²	191	152 Å²	152	83%	0.83	81%	0.807	S	S	*	*			trans	-71.5	161.9	168	-80.1	167.8	171.9	170.2	0	110.3
110	S	43.6	Very low	39.9	Very low	102 Å²	102	154.7 Å²	154.7	71%	0.713	81%	0.812	S	S	*	*				136.5	145.6	110.8	6	0	0	0	0	106.4
111	H	42.2	Very low	39.6	Very low	186 Å²	186	152.1 Å²	152.1	86%	0.861	80%	0.8	S	S	*	*			cis	-156.5	155.8	16.4	-112.1	24	0	0	0	109.9
112	S	34.7	Very low	39.9	Very low	95 Å²	95	157.7 Å²	157.7	66%	0.664	81%	0.813	S	S	*	*			trans	-71.3	154.2	170.3	173.6	0	0	0	0	112.2
113	I	41.7	Very low	39.7	Very low	171 Å²	171	157.2 Å²	157.2	88%	0.877	81%	0.81	S	S	*	*			trans	-167.2	149.7	132.7	-87.8	145.9	0	0	0	110
114	R	40.3	Very low	39.8	Very low	229 Å²	229	153.4 Å²	153.4	86%	0.864	80%	0.8	S	S	*	*			trans	-87.7	174.5	-153.6	-81.8	175.7	176.6	-143.6	2.6	117.2
115	P	42.4	Very low	40.1	Very low	110 Å²	110	150 Å²	150	71%	0.714	79%	0.791	S	S	*	*			trans	-104.2	164.8	-171.8	39.8	-31.4	0	0	0	114.6
116	N	37.8	Very low	39.9	Very low	154 Å²	154	148.5 Å²	148.5	82%	0.824	79%	0.785	S	S	*	*			trans	157.6	128.9	137.6	-102.4	-26.9	0	0	0	113.8
117	K	41.8	Very low	39.9	Very low	208 Å²	208	152.9 Å²	152.9	90%	0.904	79%	0.792	S	S	*	*				161.2	131.1	117.4	-96.7	167.9	179	175.6	0	112.8
118	K	41.6	Very low	39.9	Very low	198 Å²	198	152.1 Å²	152.1	86%	0.861	79%	0.787	S	S	*	*			trans	-82.1	-166.6	168.3	-61.2	178	171.2	178.2	0	111
119	P	46.6	Very low	39.6	Very low	111 Å²	111	153.1 Å²	153.1	72%	0.721	78%	0.782	S	S	*	*				-128.2	-174.5	-76.6	39.2	-21.4	0	0	0	110.7
120	K	40.6	Very low	39.5	Very low	211 Å²	211	150.5 Å²	150.5	92%	0.917	78%	0.777	S	S	*	*			trans	-170.7	142.6	146.2	-102.7	159.9	-168.1	-172.6	0	112.5
121	S	36.2	Very low	39.4	Very low	95 Å²	95	153.2 Å²	153.2	66%	0.664	78%	0.783	S	S	*	*			trans	-72	157.8	-175.7	49.7	0	0	0	0	115.3
122	F	42.1	Very low	39.1	Very low	212 Å²	212	153.3 Å²	153.3	93%	0.93	78%	0.781	S	S	*	*			trans	-160.7	149.8	131.6	-110.5	-81.2	0	0	0	110.8
123	T	34.6	Very low	39.3	Very low	117 Å²	117	154.3 Å²	154.3	72%	0.718	79%	0.788	S	S	*	*			trans	-112.9	168.9	-161.9	-45.4	0	0	0	0	110.5
124	V	41.5	Very low	38.8	Very low	114 Å²	114	153.7 Å²	153.7	69%	0.691	79%	0.787	S	S	*	*			trans	115.6	100.3	146.1	-176.5	0	0	0	0	117.6
125	D	39.2	Very low	38.9	Very low	124 Å²	124	151.3 Å²	151.3	66%	0.663	79%	0.785	S	S	*	*				73	122	120.2	-57.4	-7	0	0	0	126.7
126	N	36.7	Very low	38.5	Very low	139 Å²	139	152.5 Å²	152.5	74%	0.743	78%	0.781	S	S	*	*				87.8	132.5	122.3	-70.8	-25.2	0	0	0	124.8
127	K	37.9	Very low	38.3	Very low	186 Å²	186	153.4 Å²	153.4	81%	0.809	78%	0.775	S	S	*	*			trans	86.2	111.3	140.5	-92.4	177.3	173.4	178.9	0	119.7
128	S	35.8	Very low	37.9	Very low	95 Å²	95	150.1 Å²	150.1	66%	0.664	77%	0.767	S	S	*	*				79.1	139.7	95.8	68.8	0	0	0	0	112.1
129	E	38.5	Very low	37.7	Very low	167 Å²	167	147.1 Å²	147.1	78%	0.78	76%	0.759	S	S	*	*			cis	-173.3	155.8	14.6	-121	170.4	177	0	0	107.9
130	N	33.8	Very low	37.1	Very low	137 Å²	137	149 Å²	149	73%	0.733	76%	0.759	S	S	*	*			trans	27.2	133.1	148.9	-63.2	-29.1	0	0	0	123.5
131	D	41.1	Very low	36.7	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	75%	0.75	S	S	*	*				-173.4	160.6	106.9	-101.6	-26.4	0	0	0	117
132	K	36.9	Very low	36.6	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	75%	0.749	S	S	*	*			trans	-96	155	-160.7	-61.6	157.3	172.4	163.7	0	115.1
133	S	37.8	Very low	36	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	75%	0.749	S	S	*	*			trans	154.1	115.2	131.2	61	0	0	0	0	111.1
134	N	32.5	Very low	35.8	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	75%	0.746	S	S	*	*				89.6	136.7	67.7	-112.7	10	0	0	0	116.7
135	Q	40.9	Very low	35.3	Very low	179 Å²	179	142.1 Å²	142.1	84%	0.836	75%	0.746	S	S	*	*			trans	95.8	144.3	165.3	-56.2	178	19.8	0	0	118.2
136	Q	34.7	Very low	34.9	Very low	134 Å²	134	144.5 Å²	144.5	63%	0.626	76%	0.758	S	S	*	*			cis	-176	160.9	-37.5	179.6	169.6	-26.8	0	0	106.6
137	Y	33.6	Very low	34.6	Very low	174 Å²	174	148.1 Å²	148.1	68%	0.682	76%	0.763	S	S	*	*			trans	96.9	101.5	163.6	-51.8	-74.1	0	0	0	116.9
138	N	34.1	Very low	34.3	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	76%	0.755	S	S	*	*				74.4	135.5	88.3	-74.9	-0.1	0	0	0	112.6
139	L	36.5	Very low	34.1	Very low	134 Å²	134	143.6 Å²	143.6	70%	0.702	76%	0.755	S	S	*	*			cis	-166.2	159.5	19.6	-150.8	74.9	0	0	0	108.6
140	E	34.7	Very low	33.9	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	76%	0.758	S	S	*	*			trans	94.7	120.2	152	-63.2	-174.4	-176.2	0	0	123.1
141	N	32.7	Very low	33.8	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	77%	0.766	S	S	*	*			trans	111.8	110.9	138.6	-67	-22.8	0	0	0	120.2
142	S	33	Very low	33.6	Very low	93 Å²	93	141.6 Å²	141.6	65%	0.65	75%	0.753	S	S	*	*			trans	85.4	83.1	141.6	-55.3	0	0	0	0	118.9	S144	S142-S144 PolarHBondContact O-N 3.08Å
143	T	30.1	Very low	33.8	Very low	149 Å²	149	141.7 Å²	141.7	91%	0.914	75%	0.748	S	S	*	*			trans	36.2	72.4	132.3	59.6	0	0	0	0	116.8
144	S	29.8	Very low	33.7	Very low	95 Å²	95	145.9 Å²	145.9	66%	0.664	76%	0.755	S	S	*	*			trans	-150.8	142.3	155.2	56.7	0	0	0	0	109.5	S142	S142-S144 PolarHBondContact O-N 3.08Å
145	N	31.4	Very low	34.4	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	74%	0.74	S	S	*	*			trans	83.1	96.5	171.7	-53.8	-37.2	0	0	0	118.7	Y147	N145-Y147 HydrophobicContact CB-CD2 4.49Å
146	L	30.5	Very low	34.5	Very low	175 Å²	175	145.5 Å²	145.5	92%	0.916	74%	0.744	S	S	*	*			trans	-113.1	78.3	143.9	-111.3	140.4	0	0	0	107.8	S148	L146-S148 PolarHBondContact O-N 3.14Å
147	Y	29.7	Very low	34.7	Very low	214 Å²	214	146.9 Å²	146.9	84%	0.839	75%	0.748	S	S	*	*			trans	-81.7	105.1	157.7	-84.5	-84.9	0	0	0	107.2	N145	N145-Y147 HydrophobicContact CB-CD2 4.49Å
148	S	31.8	Very low	35.5	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	75%	0.753	S	S	*	*			trans	-140.6	111.5	158.1	-155.5	0	0	0	0	109.2	L146	L146-S148 PolarHBondContact O-N 3.14Å
149	S	31.5	Very low	36.5	Very low	94 Å²	94	146.3 Å²	146.3	66%	0.657	76%	0.756	S	S	*	*			trans	56.5	92.6	138.9	-40.9	0	0	0	0	116.3
150	N	35	Very low	37.4	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	74%	0.741	S	S	*	*			trans	-173.3	112.4	133.3	-86.7	-32.3	0	0	0	111.5	T152	N150-T152 PolarHBondContact O-N 3.43Å
151	N	31.8	Very low	39	Very low	169 Å²	169	139.3 Å²	139.3	90%	0.904	73%	0.731	S	S	*	*			trans	-69.4	90.2	178.7	-170.4	-0.8	0	0	0	110.4
152	T	36.7	Very low	40.7	Very low	93 Å²	93	139.3 Å²	139.3	57%	0.571	73%	0.727	S	S	*	*			trans	-135	116	167.3	57.4	0	0	0	0	111.9	N150	N150-T152 PolarHBondContact O-N 3.43Å
153	R	41.1	Very low	42.3	Very low	191 Å²	191	137.8 Å²	137.8	72%	0.721	72%	0.72	S	S	*	*			trans	77	99.4	139.3	-62.6	174.1	-170.9	125.9	2.3	118.1	V155	R153-V155 HydrophobicContact CB-CG2 3.9Å; R153-V155 HydrophobicContact CG-CG2 4.04Å; R153-V155 PolarHBondContact O-N 2.92Å
154	E	36.4	Very low	43.7	Very low	203 Å²	203	135.6 Å²	135.6	95%	0.949	70%	0.702	S	S	*	*			trans	-81.5	94.9	139.2	-159.8	175.6	-156.4	0	0	107.1
155	V	45.5	Very low	45.3	Very low	89 Å²	89	134.6 Å²	134.6	54%	0.539	69%	0.688	S	S	.	*			trans	-118.7	108.9	170.9	173.2	0	0	0	0	106.6	R153 F157	R153-V155 HydrophobicContact CB-CG2 3.9Å; R153-V155 HydrophobicContact CG-CG2 4.04Å; R153-V155 PolarHBondContact O-N 2.92Å; V155-F157 VanDerWaalsContact C-N 3.34Å; V155-F157 PolarHBondContact O-N 3.28Å
156	W	44.8	Very low	46.9	Very low	241 Å²	241	130.9 Å²	130.9	91%	0.913	68%	0.675	S	S	*	*	S	Bend	trans	-70.3	80.2	-175.2	-169	49.1	0	0	0	111.9
157	F	37.3	Very low	48.3	Very low	164 Å²	164	126.5 Å²	126.5	72%	0.719	65%	0.653	S	S	*	*			trans	-168.5	89.7	161.7	-115	-81.2	0	0	0	107.7	V155 D159 V160	V155-F157 VanDerWaalsContact C-N 3.34Å; V155-F157 PolarHBondContact O-N 3.28Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.43Å; F157-V160 HydrophobicContact CD1-CG2 3.83Å; F157-V160 HydrophobicContact CG-CG2 4.46Å
158	D	50.3	Low	49.8	Very low	147 Å²	147	118.4 Å²	118.4	79%	0.786	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-3.2	-168.8	-68.7	-34.8	0	0	0	115.1
159	D	55.3	Low	51.4	Low	153 Å²	153	118.9 Å²	118.9	82%	0.818	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	20.6	-174	-63.5	-47	0	0	0	115.6	F157 P161	F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.43Å; D159-P161 WeakPolarHBondContact O-CD 3.27Å
160	V	56.5	Low	53	Low	61 Å²	61	120.8 Å²	120.8	37%	0.37	62%	0.621	S	S	.	*	S	Bend	trans	-97.7	113.1	172.1	-176	0	0	0	0	109.8	F157 Q162 L164 I165	F157-V160 HydrophobicContact CD1-CG2 3.83Å; F157-V160 HydrophobicContact CG-CG2 4.46Å; V160-Q162 PolarHBondContact O-N 2.87Å; V160-L164 HydrophobicContact CG1-CB 4.31Å; V160-L164 HydrophobicContact CG1-CD1 4.47Å; V160-I165 HydrophobicContact CG1-CD1 4.31Å; V160-I165 HydrophobicContact CG1-CG1 4.04Å
161	P	67	Low	54.3	Low	79 Å²	79	118.1 Å²	118.1	51%	0.513	61%	0.607	S	S	.	*			trans	-52.4	127.3	175.9	-26.6	32.5	0	0	0	111.3	D159 A163 L164	D159-P161 WeakPolarHBondContact O-CD 3.27Å; P161-A163 PolarHBondContact O-N 2.72Å; P161-L164 HydrophobicContact CB-CG 4.43Å; P161-L164 HydrophobicContact CG-CD1 4.36Å; P161-L164 WeakPolarHBondContact O-CB 3.27Å; P161-L164 PolarHBondContact O-N 3.39Å
162	Q	69.5	Low	55.9	Low	136 Å²	136	112.5 Å²	112.5	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-51.1	-30.1	179.6	-164	69.4	20.7	0	0	112.6	V160 L164 I165 A166	V160-Q162 PolarHBondContact O-N 2.87Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.38Å; Q162-I165 PolarHBondContact O-N 3.08Å; Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.13Å
163	A	66.2	Low	57.4	Low	61 Å²	61	110.6 Å²	110.6	50%	0.504	57%	0.565	S	S	.	*	H	α-helix	trans	-59.7	-37	174.9	0	0	0	0	0	113.5	P161 A166 N167	P161-A163 PolarHBondContact O-N 2.72Å; A163-A166 PolarHBondContact O-N 3.27Å; A163-N167 WeakPolarHBondContact O-CB 3.3Å; A163-N167 PolarHBondContact O-N 3.19Å; A163-N167 PolarHBondContact O-ND2 2.86Å; A163-N167 PolarHBondContact O-OD1 3.13Å
164	L	60.2	Low	58.9	Low	104 Å²	104	104.3 Å²	104.3	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-39.7	178.6	-66.2	-179.8	0	0	0	111.7	V160 P161 Q162 N167 S168	V160-L164 HydrophobicContact CG1-CB 4.31Å; V160-L164 HydrophobicContact CG1-CD1 4.47Å; P161-L164 HydrophobicContact CB-CG 4.43Å; P161-L164 HydrophobicContact CG-CD1 4.36Å; P161-L164 WeakPolarHBondContact O-CB 3.27Å; P161-L164 PolarHBondContact O-N 3.39Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.38Å; L164-N167 PolarHBondContact O-N 3.36Å; L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 2.95Å
165	I	63.1	Low	60.6	Low	74 Å²	74	95.9 Å²	95.9	38%	0.379	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-46.1	174.9	-59.4	170.8	0	0	0	109.6	V160 Q162 N167 S168 L169	V160-I165 HydrophobicContact CG1-CD1 4.31Å; V160-I165 HydrophobicContact CG1-CG1 4.04Å; Q162-I165 PolarHBondContact O-N 3.08Å; I165-N167 PolarHBondContact O-N 3.17Å; I165-S168 PolarHBondContact O-N 3.33Å; I165-L169 HydrophobicContact CG2-CD1 4.08Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CG 3.42Å; I165-L169 PolarHBondContact O-N 3.15Å
166	A	63.8	Low	62	Low	50 Å²	50	92.8 Å²	92.8	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-44.6	178	0	0	0	0	0	112.1	Q162 A163 L169 Q170	Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.13Å; A163-A166 PolarHBondContact O-N 3.27Å; A166-L169 PolarHBondContact O-N 2.85Å; A166-Q170 WeakPolarHBondContact O-CB 3.39Å; A166-Q170 PolarHBondContact O-N 3.37Å
167	N	61.6	Low	63.5	Low	84 Å²	84	87.5 Å²	87.5	45%	0.449	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.3	-71.5	-14.2	0	0	0	111.6	A163 L164 I165 L169 Q170 D171	A163-N167 WeakPolarHBondContact O-CB 3.3Å; A163-N167 PolarHBondContact O-N 3.19Å; A163-N167 PolarHBondContact O-ND2 2.86Å; A163-N167 PolarHBondContact O-OD1 3.13Å; L164-N167 PolarHBondContact O-N 3.36Å; I165-N167 PolarHBondContact O-N 3.17Å; N167-L169 PolarHBondContact O-N 2.67Å; N167-Q170 PolarHBondContact O-N 2.94Å; N167-D171 WeakPolarHBondContact O-CB 3.34Å; N167-D171 PolarHBondContact O-N 3.07Å
168	S	60.2	Low	65.8	Low	44 Å²	44	83.2 Å²	83.2	31%	0.308	47%	0.472	S	S	.	.	H	α-helix	trans	-60.2	-45	177	-171.3	0	0	0	0	112.2	L164 I165 Q170 D171 Q172	L164-S168 WeakPolarHBondContact O-CB 3.45Å; L164-S168 PolarHBondContact O-N 2.95Å; I165-S168 PolarHBondContact O-N 3.33Å; S168-Q170 VanDerWaalsContact C-N 3.35Å; S168-Q170 PolarHBondContact O-N 3.35Å; S168-D171 PolarHBondContact O-N 2.91Å; S168-Q172 WeakPolarHBondContact O-CG 3.46Å; S168-Q172 PolarHBondContact O-N 3.37Å
169	L	65.6	Low	67.7	Low	103 Å²	103	76.4 Å²	76.4	54%	0.539	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-38.2	176.5	-69.7	173.8	0	0	0	112.1	I165 A166 N167 S173	I165-L169 HydrophobicContact CG2-CD1 4.08Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CG 3.42Å; I165-L169 PolarHBondContact O-N 3.15Å; A166-L169 PolarHBondContact O-N 2.85Å; N167-L169 PolarHBondContact O-N 2.67Å; L169-S173 WeakPolarHBondContact O-CB 3.5Å; L169-S173 PolarHBondContact O-N 2.87Å
170	Q	64.5	Low	69.5	Low	133 Å²	133	69.7 Å²	69.7	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-66.5	-40.8	177.1	-169.7	167.1	7.5	0	0	111.6	A166 N167 S168 S173 A174	A166-Q170 WeakPolarHBondContact O-CB 3.39Å; A166-Q170 PolarHBondContact O-N 3.37Å; N167-Q170 PolarHBondContact O-N 2.94Å; S168-Q170 VanDerWaalsContact C-N 3.35Å; S168-Q170 PolarHBondContact O-N 3.35Å; Q170-S173 PolarHBondContact O-N 3.2Å; Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 2.98Å
171	D	64	Low	71.2	Confident	101 Å²	101	71.5 Å²	71.5	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-42.6	175.9	-78.3	-16.7	0	0	0	112.2	N167 S168 A174 T175	N167-D171 WeakPolarHBondContact O-CB 3.34Å; N167-D171 PolarHBondContact O-N 3.07Å; S168-D171 PolarHBondContact O-N 2.91Å; D171-A174 PolarHBondContact O-N 3.31Å; D171-T175 VanDerWaalsContact O-CB 3.3Å; D171-T175 WeakPolarHBondContact O-CB 3.44Å; D171-T175 PolarHBondContact O-N 2.92Å; D171-T175 PolarHBondContact O-OG1 2.96Å
172	Q	63.6	Low	72.3	Confident	51 Å²	51	73.6 Å²	73.6	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-63.1	-42.9	173.1	-71.1	-179.7	8.2	0	0	111.2	S168 A174 T175 T176	S168-Q172 WeakPolarHBondContact O-CG 3.46Å; S168-Q172 PolarHBondContact O-N 3.37Å; Q172-A174 PolarHBondContact O-N 2.71Å; Q172-T175 PolarHBondContact O-N 3.32Å; Q172-T176 WeakPolarHBondContact O-CB 3.5Å; Q172-T176 VanDerWaalsContact O-CG2 3.22Å; Q172-T176 WeakPolarHBondContact O-CG2 3.48Å; Q172-T176 PolarHBondContact O-N 3.39Å; Q172-T176 PolarHBondContact O-OG1 3.42Å
173	S	68.9	Low	73.3	Confident	53 Å²	53	74 Å²	74	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177	-173.9	0	0	0	0	112.6	L169 Q170 T176 K177	L169-S173 WeakPolarHBondContact O-CB 3.5Å; L169-S173 PolarHBondContact O-N 2.87Å; Q170-S173 PolarHBondContact O-N 3.2Å; S173-T176 WeakPolarHBondContact CA-OG1 3.3Å; S173-T176 PolarHBondContact O-OG1 2.9Å; S173-K177 VanDerWaalsContact O-CG 3.29Å; S173-K177 WeakPolarHBondContact O-CG 3.37Å; S173-K177 PolarHBondContact O-N 3.34Å; S173-K177 VanDerWaalsContact O-N 3.17Å
174	A	73.1	Confident	74.6	Confident	60 Å²	60	72.8 Å²	72.8	50%	0.496	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-42.8	176.2	0	0	0	0	0	111.8	Q170 D171 Q172 K177 S178	Q170-A174 WeakPolarHBondContact O-CB 3.29Å; Q170-A174 PolarHBondContact O-N 2.98Å; D171-A174 PolarHBondContact O-N 3.31Å; Q172-A174 PolarHBondContact O-N 2.71Å; A174-K177 PolarHBondContact O-N 2.93Å; A174-S178 PolarHBondContact O-N 3.2Å
175	T	72.6	Confident	76.2	Confident	25 Å²	25	74 Å²	74	15%	0.153	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-50.8	178	-64.5	0	0	0	0	111.4	D171 Q172 K177 S178 L179 V325 N326 V327 E336	D171-T175 VanDerWaalsContact O-CB 3.3Å; D171-T175 WeakPolarHBondContact O-CB 3.44Å; D171-T175 PolarHBondContact O-N 2.92Å; D171-T175 PolarHBondContact O-OG1 2.96Å; Q172-T175 PolarHBondContact O-N 3.32Å; T175-K177 VanDerWaalsContact C-N 3.3Å; T175-K177 PolarHBondContact O-N 3.17Å; T175-S178 WeakPolarHBondContact O-CB 3.49Å; T175-S178 PolarHBondContact O-N 2.65Å; T175-L179 HydrophobicContact CG2-CD1 4.15Å; T175-L179 WeakPolarHBondContact O-CG 3.33Å; T175-L179 PolarHBondContact O-N 3.24Å; T175-V325 HydrophobicContact CG2-CG1 3.51Å; T175-N326 WeakPolarHBondContact CG2-O 3.43Å; T175-V327 HydrophobicContact CG2-CG1 4.05Å; T175-E336 WeakPolarHBondContact CG2-OE1 3.38Å
176	T	73.3	Confident	77.7	Confident	25 Å²	25	73.2 Å²	73.2	15%	0.153	42%	0.415	C	S	.	.	H	α-helix	trans	-60.2	-38.5	179.8	53.1	0	0	0	0	112.2	Q172 S173 S178 L179 V180 E336	Q172-T176 WeakPolarHBondContact O-CB 3.5Å; Q172-T176 VanDerWaalsContact O-CG2 3.22Å; Q172-T176 WeakPolarHBondContact O-CG2 3.48Å; Q172-T176 PolarHBondContact O-N 3.39Å; Q172-T176 PolarHBondContact O-OG1 3.42Å; S173-T176 WeakPolarHBondContact CA-OG1 3.3Å; S173-T176 PolarHBondContact O-OG1 2.9Å; T176-S178 PolarHBondContact O-N 2.97Å; T176-L179 PolarHBondContact O-N 3.41Å; T176-V180 WeakPolarHBondContact O-CG2 3.42Å; T176-V180 PolarHBondContact O-N 3.17Å; T176-E336 HydrophobicContact CG2-CB 4.21Å; T176-E336 HydrophobicContact CG2-CG 4.45Å
177	K	76.5	Confident	79.1	Confident	130 Å²	130	71.8 Å²	71.8	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-62.4	-39.9	174.1	-75	173.6	-175.4	176.5	0	112.6	S173 A174 T175 L179 V180	S173-K177 VanDerWaalsContact O-CG 3.29Å; S173-K177 WeakPolarHBondContact O-CG 3.37Å; S173-K177 PolarHBondContact O-N 3.34Å; S173-K177 VanDerWaalsContact O-N 3.17Å; A174-K177 PolarHBondContact O-N 2.93Å; T175-K177 VanDerWaalsContact C-N 3.3Å; T175-K177 PolarHBondContact O-N 3.17Å; K177-L179 VanDerWaalsContact C-N 3.28Å; K177-L179 PolarHBondContact O-N 3.33Å; K177-V180 PolarHBondContact O-N 3.46Å
178	S	85.4	Confident	80.7	Confident	74 Å²	74	71.6 Å²	71.6	52%	0.517	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-33.3	176.9	-174.9	0	0	0	0	112.6	A174 T175 T176 V180 R343	A174-S178 PolarHBondContact O-N 3.2Å; T175-S178 WeakPolarHBondContact O-CB 3.49Å; T175-S178 PolarHBondContact O-N 2.65Å; T176-S178 PolarHBondContact O-N 2.97Å; S178-V180 VanDerWaalsContact C-N 3.33Å; S178-V180 PolarHBondContact O-N 3.26Å; S178-R343 PolarHBondContact O-NH2 2.95Å
179	L	90.7	Very high	82.4	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-78.9	-10.1	-178.5	-60.6	174	0	0	0	113.9	T175 T176 K177 L323 V325 V327 E336 R339 A340 R343	T175-L179 HydrophobicContact CG2-CD1 4.15Å; T175-L179 WeakPolarHBondContact O-CG 3.33Å; T175-L179 PolarHBondContact O-N 3.24Å; T176-L179 PolarHBondContact O-N 3.41Å; K177-L179 VanDerWaalsContact C-N 3.28Å; K177-L179 PolarHBondContact O-N 3.33Å; L179-L323 HydrophobicContact CD2-CD1 4.47Å; L179-V325 HydrophobicContact CD2-CG1 4.32Å; L179-V327 HydrophobicContact CD1-CG1 4.18Å; L179-E336 HydrophobicContact CD1-CG 4.12Å; L179-R339 HydrophobicContact CB-CB 3.78Å; L179-R339 HydrophobicContact CD1-CB 4.19Å; L179-A340 HydrophobicContact CD1-CB 4.08Å; L179-R343 HydrophobicContact CB-CG 4.37Å; L179-R343 HydrophobicContact CD2-CB 4.24Å; L179-R343 HydrophobicContact CD2-CG 3.97Å; L179-R343 WeakPolarHBondContact O-CG 3.3Å; L179-R343 VanDerWaalsContact O-CZ 3.31Å; L179-R343 PolarHBondContact O-NE 2.96Å; L179-R343 PolarHBondContact O-NH2 3.37Å
180	V	93.1	Very high	83.9	Confident	13 Å²	13	71.3 Å²	71.3	8%	0.079	40%	0.395	C	S	.	.	S	Bend	trans	-110	142.9	179.2	-174.1	0	0	0	0	111.9	T176 K177 S178 L182 G220 R339 R343	T176-V180 WeakPolarHBondContact O-CG2 3.42Å; T176-V180 PolarHBondContact O-N 3.17Å; K177-V180 PolarHBondContact O-N 3.46Å; S178-V180 VanDerWaalsContact C-N 3.33Å; S178-V180 PolarHBondContact O-N 3.26Å; V180-L182 HydrophobicContact CB-CD2 4.32Å; V180-L182 HydrophobicContact CG1-CD2 4.08Å; V180-L182 PolarHBondContact O-N 2.98Å; V180-G220 WeakPolarHBondContact CG2-O 3.43Å; V180-R339 HydrophobicContact CG2-CG 4.35Å; V180-R339 VanDerWaalsContact CG2-CZ 3.43Å; V180-R343 PolarHBondContact O-NH2 3.44Å; V180-R343 VanDerWaalsContact O-NH2 3.08Å
181	K	91.5	Very high	85.5	Confident	99 Å²	99	67 Å²	67	43%	0.43	37%	0.373	S	S	.	.			trans	-95.1	84.3	169.8	-62.5	-168.2	-177.7	-177.3	0	109	T183 S184 F219 H221 R343	K181-T183 PolarHBondContact O-N 3.26Å; K181-S184 VanDerWaalsContact CB-OG 3.23Å; K181-S184 WeakPolarHBondContact CB-OG 3.48Å; K181-S184 VanDerWaalsContact O-CB 3.22Å; K181-S184 WeakPolarHBondContact O-CB 3.3Å; K181-S184 PolarHBondContact O-N 3.04Å; K181-S184 PolarHBondContact O-OG 3.22Å; K181-F219 HydrophobicContact CB-CB 4.32Å; K181-F219 HydrophobicContact CD-CD1 4.22Å; K181-F219 PolarHBondContact N-O 3.04Å; K181-H221 PolarHBondContact O-NE2 2.99Å; K181-H221 VanDerWaalsContact O-NE2 3.09Å; K181-R343 VanDerWaalsContact CG-NH2 3.28Å
182	L	90.2	Very high	87.2	Confident	123 Å²	123	62.2 Å²	62.2	64%	0.644	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-35.3	-168.3	-63.9	172.1	0	0	0	114.9	V180 S184	V180-L182 HydrophobicContact CB-CD2 4.32Å; V180-L182 HydrophobicContact CG1-CD2 4.08Å; V180-L182 PolarHBondContact O-N 2.98Å; L182-S184 VanDerWaalsContact C-N 3.32Å; L182-S184 PolarHBondContact O-N 3.42Å
183	T	91.4	Very high	88.8	Confident	145 Å²	145	59.8 Å²	59.8	89%	0.89	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	8.1	-179	58.5	0	0	0	0	114.5	K181	K181-T183 PolarHBondContact O-N 3.26Å
184	S	93	Very high	90.2	Very high	35 Å²	35	57.2 Å²	57.2	25%	0.245	32%	0.318	C	S	.	.	S	Bend	trans	-92.1	169.4	-178	-62.3	0	0	0	0	112.4	K181 L182 A186 F219 H221	K181-S184 VanDerWaalsContact CB-OG 3.23Å; K181-S184 WeakPolarHBondContact CB-OG 3.48Å; K181-S184 VanDerWaalsContact O-CB 3.22Å; K181-S184 WeakPolarHBondContact O-CB 3.3Å; K181-S184 PolarHBondContact O-N 3.04Å; K181-S184 PolarHBondContact O-OG 3.22Å; L182-S184 VanDerWaalsContact C-N 3.32Å; L182-S184 PolarHBondContact O-N 3.42Å; S184-A186 PolarHBondContact O-N 3.36Å; S184-F219 VanDerWaalsContact CB-CG 3.5Å; S184-H221 PolarHBondContact O-NE2 3.22Å
185	F	94.1	Very high	91.5	Very high	129 Å²	129	55 Å²	55	57%	0.566	30%	0.298	S	S	*	.			trans	-56.9	123.9	175.4	176.3	-106.2	0	0	0	111.5	G187 T189 N217 F219 H221	F185-G187 WeakPolarHBondContact CE1-O 3.48Å; F185-T189 HydrophobicContact CD1-CG2 3.89Å; F185-T189 HydrophobicContact CE1-CG2 4.24Å; F185-N217 PolarHBondContact O-ND2 3.48Å; F185-F219 HydrophobicContact CB-CD2 4.41Å; F185-F219 HydrophobicContact CB-CE2 3.97Å; F185-F219 VanDerWaalsContact O-CD2 3.29Å; F185-F219 WeakPolarHBondContact O-CD2 3.38Å; F185-H221 PolarHBondContact O-CD2 2.91Å
186	A	94.1	Very high	92.7	Very high	58 Å²	58	54.1 Å²	54.1	48%	0.479	29%	0.293	S	S	.	.			trans	-82.7	-22.4	-176.5	0	0	0	0	0	114	S184 N217 H221	S184-A186 PolarHBondContact O-N 3.36Å; A186-N217 PolarHBondContact O-ND2 3.36Å; A186-N217 VanDerWaalsContact O-ND2 3.17Å; A186-H221 HydrophobicContact CB-CB 4.38Å
187	G	94.6	Very high	93.9	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	29%	0.288	C	S	.	.	S	Bend	trans	-75.5	-177.5	-174.7	0	0	0	0	0	115.6	F185 T189 N217	F185-G187 WeakPolarHBondContact CE1-O 3.48Å; G187-T189 PolarHBondContact O-N 2.68Å; G187-N217 PolarHBondContact O-ND2 3.18Å
188	P	94.2	Very high	94.9	Very high	81 Å²	81	48.2 Å²	48.2	53%	0.526	27%	0.265	S	S	.	.			trans	-62.3	134.8	-179.6	-23.4	33.9	0	0	0	112.8	L223	P188-L223 HydrophobicContact CB-CD1 4.33Å; P188-L223 HydrophobicContact CG-CD2 4.18Å
189	T	96.6	Very high	95.5	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.086	24%	0.24	C	C	.	.			trans	-119.8	168.8	177.2	71.9	0	0	0	0	111.4	F185 G187 R191 N217 Q218 F219 K272	F185-T189 HydrophobicContact CD1-CG2 3.89Å; F185-T189 HydrophobicContact CE1-CG2 4.24Å; G187-T189 PolarHBondContact O-N 2.68Å; T189-R191 PolarHBondContact O-N 3.27Å; T189-R191 PolarHBondContact OG1-O 2.93Å; T189-N217 HydrophobicContact CG2-CB 4.13Å; T189-Q218 HydrophobicContact CG2-CG 3.99Å; T189-Q218 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q218 WeakPolarHBondContact OG1-CG 3.36Å; T189-Q218 PolarHBondContact OG1-N 3.37Å; T189-Q218 VanDerWaalsContact OG1-N 3.15Å; T189-F219 HydrophobicContact CG2-CD2 4.24Å; T189-F219 HydrophobicContact CG2-CE2 4.02Å; T189-K272 WeakPolarHBondContact O-CD 3.46Å
190	R	96.6	Very high	95.8	Very high	126 Å²	126	44.6 Å²	44.6	48%	0.475	24%	0.24	S	C	.	.	S	Bend	trans	-60.1	-18.8	178.8	-163.9	179.1	76.3	91.9	-1.8	114	I273	R190-I273 VanDerWaalsContact NH1-CD1 3.32Å; R190-I273 PolarHBondContact O-N 3.29Å
191	R	98	Very high	96.1	Very high	43 Å²	43	44.1 Å²	44.1	16%	0.162	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.9	-180	-62.7	147.1	-172	117.5	-4	107.6	T189 Q218 I273 M342 Y345 K349	T189-R191 PolarHBondContact O-N 3.27Å; T189-R191 PolarHBondContact OG1-O 2.93Å; R191-Q218 HydrophobicContact CB-CB 4.19Å; R191-Q218 PolarHBondContact O-N 3Å; R191-I273 WeakPolarHBondContact CA-O 3.41Å; R191-I273 HydrophobicContact CB-CB 4.35Å; R191-I273 HydrophobicContact CG-CB 3.79Å; R191-I273 HydrophobicContact CG-CD1 4.01Å; R191-I273 HydrophobicContact CG-CG1 4.39Å; R191-I273 HydrophobicContact CG-CG2 4.08Å; R191-M342 HydrophobicContact CB-CE 4.48Å; R191-Y345 HydrophobicContact CB-CE1 4.34Å; R191-Y345 HydrophobicContact CG-CE1 4.15Å; R191-K349 VanDerWaalsContact NE-CE 3.32Å
192	I	98.5	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153	179	57.1	167	0	0	0	108.2	I215 V216 L223 L268 I269 K272 I273 L274 V275	I192-I215 HydrophobicContact CB-CG2 4.05Å; I192-I215 HydrophobicContact CD1-CG2 4.08Å; I192-V216 CarbonylContact C-O 3.52Å; I192-V216 WeakPolarHBondContact CA-O 3.45Å; I192-L223 HydrophobicContact CG2-CD1 3.83Å; I192-L268 HydrophobicContact CD1-CD2 3.75Å; I192-L268 HydrophobicContact CG2-CD2 4.46Å; I192-I269 HydrophobicContact CD1-CB 4.03Å; I192-I269 HydrophobicContact CD1-CG2 3.67Å; I192-K272 HydrophobicContact CD1-CB 4.36Å; I192-K272 HydrophobicContact CD1-CD 4.19Å; I192-K272 HydrophobicContact CG1-CB 4.22Å; I192-K272 HydrophobicContact CG1-CD 4.42Å; I192-K272 HydrophobicContact CG2-CD 3.91Å; I192-I273 PolarHBondContact N-O 3.03Å; I192-L274 HydrophobicContact CD1-CD1 4.13Å; I192-L274 HydrophobicContact CG1-CD1 4.13Å; I192-V275 WeakPolarHBondContact O-CB 3.45Å; I192-V275 WeakPolarHBondContact O-CG2 3.46Å; I192-V275 PolarHBondContact O-N 3.43Å
193	A	98.7	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.5	169.8	0	0	0	0	0	109	I215 V216 V275 A338 M342	A193-I215 CarbonylContact O-C 3.51Å; A193-I215 VanDerWaalsContact O-CA 3.3Å; A193-I215 WeakPolarHBondContact O-CA 3.23Å; A193-I215 WeakPolarHBondContact O-CG2 3.41Å; A193-V216 HydrophobicContact CB-CG2 3.87Å; A193-V216 PolarHBondContact N-O 2.67Å; A193-V216 PolarHBondContact O-N 3.3Å; A193-V275 WeakPolarHBondContact CA-O 3.36Å; A193-V275 HydrophobicContact CB-CB 4.08Å; A193-A338 VanDerWaalsContact CB-O 3.29Å; A193-A338 WeakPolarHBondContact CB-O 3.36Å; A193-M342 HydrophobicContact CB-CB 3.78Å; A193-M342 HydrophobicContact CB-CE 3.61Å
194	M	98.7	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.1	-178.4	-179.3	175.7	81.2	0	0	108.8	V213 S214 I215 V265 I269 L274 V275 I279 D282 L283 L286	M194-V213 HydrophobicContact CG-CG2 4.17Å; M194-V213 HydrophobicContact SD-CG2 4.32Å; M194-S214 WeakPolarHBondContact CA-O 3.41Å; M194-I215 HydrophobicContact CB-CG1 4.17Å; M194-I215 HydrophobicContact CG-CD1 4.45Å; M194-I215 HydrophobicContact CG-CG1 3.9Å; M194-I215 HydrophobicContact SD-CD1 4.22Å; M194-I215 HydrophobicContact SD-CG1 4.32Å; M194-V265 HydrophobicContact SD-CG1 3.98Å; M194-I269 HydrophobicContact SD-CG2 4.48Å; M194-L274 HydrophobicContact CB-CD1 3.83Å; M194-L274 HydrophobicContact CE-CD2 4.37Å; M194-V275 PolarHBondContact N-O 3.27Å; M194-V275 VanDerWaalsContact N-O 3.16Å; M194-I279 HydrophobicContact CB-CD1 4.35Å; M194-I279 HydrophobicContact CE-CD1 3.68Å; M194-D282 HydrophobicContact CE-CB 4.15Å; M194-L283 HydrophobicContact CE-CD2 4.09Å; M194-L286 HydrophobicContact CE-CD1 3.52Å; M194-L286 HydrophobicContact SD-CD1 3.77Å
195	D	98.6	Very high	96.6	Very high	14 Å²	14	39.8 Å²	39.8	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	147.1	173.1	-166	75.2	0	0	0	109.1	S214 D337 A338	D195-S214 PolarHBondContact N-O 3.31Å; D195-S214 VanDerWaalsContact N-O 3.09Å; D195-S214 PolarHBondContact O-N 2.94Å; D195-D337 HydrophobicContact CB-CB 4.28Å; D195-A338 HydrophobicContact CB-CB 3.94Å
196	C	98.4	Very high	96.6	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.1	-174.5	-59.2	0	0	0	0	111.4	F198 L210 R212 D282	C196-F198 HydrophobicContact CB-CD1 4.36Å; C196-F198 HydrophobicContact CB-CE1 3.42Å; C196-F198 VanDerWaalsContact CB-CE1 3.42Å; C196-F198 HydrophobicContact CB-CZ 3.6Å; C196-L210 HydrophobicContact CB-CD1 3.75Å; C196-R212 CarbonylContact C-O 3.56Å; C196-R212 VanDerWaalsContact CA-O 3.31Å; C196-R212 WeakPolarHBondContact CA-O 3.43Å; C196-D282 HydrophobicContact CB-CB 4.4Å; C196-D282 WeakPolarHBondContact CB-OD1 3.23Å; C196-D282 PolarHBondContact N-OD1 2.75Å
197	E	98.1	Very high	96.8	Very high	11 Å²	11	42.1 Å²	42.1	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.4	168.4	-58.2	-57	157.3	0	0	110.8	A211 R212 S242 I244 H332	E197-A211 PolarHBondContact O-N 2.95Å; E197-R212 HydrophobicContact CB-CB 4.07Å; E197-R212 HydrophobicContact CG-CB 4.35Å; E197-R212 PolarHBondContact N-O 3.43Å; E197-R212 PolarHBondContact O-N 3.32Å; E197-S242 WeakPolarHBondContact OE2-CA 3.42Å; E197-I244 HydrophobicContact CB-CD1 4.2Å; E197-I244 HydrophobicContact CB-CG1 4.2Å; E197-H332 WeakPolarHBondContact OE1-CB 3.49Å
198	F	98.1	Very high	96.9	Very high	20 Å²	20	44 Å²	44	9%	0.088	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.2	-177.1	-48.3	-51.1	0	0	0	112.4	C196 D208 A209 L210 K281 D282 V285	C196-F198 HydrophobicContact CB-CD1 4.36Å; C196-F198 HydrophobicContact CB-CE1 3.42Å; C196-F198 VanDerWaalsContact CB-CE1 3.42Å; C196-F198 HydrophobicContact CB-CZ 3.6Å; F198-D208 HydrophobicContact CB-CB 4.27Å; F198-D208 HydrophobicContact CG-CB 4.32Å; F198-A209 CarbonylContact C-O 3.55Å; F198-A209 WeakPolarHBondContact CA-O 3.47Å; F198-L210 HydrophobicContact CD1-CD1 4.3Å; F198-L210 HydrophobicContact CE1-CD1 4.03Å; F198-K281 HydrophobicContact CD2-CD 4.28Å; F198-K281 HydrophobicContact CE2-CD 3.82Å; F198-K281 HydrophobicContact CE2-CG 3.95Å; F198-D282 HydrophobicContact CZ-CB 4.4Å; F198-V285 HydrophobicContact CD1-CB 4.28Å; F198-V285 HydrophobicContact CD1-CG1 3.86Å; F198-V285 HydrophobicContact CD1-CG2 4.26Å; F198-V285 HydrophobicContact CE1-CB 3.85Å; F198-V285 HydrophobicContact CE1-CG1 3.83Å; F198-V285 HydrophobicContact CE1-CG2 4.01Å; F198-V285 HydrophobicContact CZ-CB 4.35Å; F198-V285 HydrophobicContact CZ-CG2 4.19Å
199	V	98.1	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	160.8	167.9	-66	0	0	0	0	109.9	A209 A211 P230 V234 Y237 I244 L249	V199-A209 HydrophobicContact CG2-CB 4.17Å; V199-A209 PolarHBondContact N-O 3.25Å; V199-A209 PolarHBondContact O-N 2.87Å; V199-A211 HydrophobicContact CB-CB 4.37Å; V199-A211 HydrophobicContact CG1-CB 3.61Å; V199-A211 HydrophobicContact CG2-CB 4.1Å; V199-P230 HydrophobicContact CG2-CG 3.75Å; V199-V234 HydrophobicContact CB-CG1 3.92Å; V199-V234 HydrophobicContact CB-CG2 4.45Å; V199-V234 HydrophobicContact CG1-CG1 4.43Å; V199-V234 HydrophobicContact CG2-CG1 4.13Å; V199-V234 HydrophobicContact CG2-CG2 3.77Å; V199-Y237 HydrophobicContact CG1-CD1 4.31Å; V199-I244 HydrophobicContact CG1-CB 4.23Å; V199-I244 HydrophobicContact CG1-CG2 4.08Å; V199-L249 HydrophobicContact CG1-CD1 4.17Å; V199-L249 HydrophobicContact CG2-CD1 4.42Å
200	G	98.2	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125	176.1	0	0	0	0	0	112.4	G205 D207 V235 D236 R238	G200-G205 WeakPolarHBondContact CA-O 3.45Å; G200-D207 WeakPolarHBondContact CA-O 3.46Å; G200-V235 PolarHBondContact O-N 3.16Å; G200-D236 WeakPolarHBondContact CA-O 3.32Å; G200-D236 PolarHBondContact N-O 3.47Å; G200-D236 PolarHBondContact O-N 3Å; G200-R238 VanDerWaalsContact CA-NH2 3.34Å
201	V	97.5	Very high	97.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	178.6	172.6	-59.2	0	0	0	0	110.1	G205 K206 D207 A209 P230 E232	V201-G205 CarbonylContact O-C 3.42Å; V201-G205 VanDerWaalsContact O-C 3.29Å; V201-G205 WeakPolarHBondContact O-CA 3.42Å; V201-K206 PolarHBondContact O-N 3.06Å; V201-D207 HydrophobicContact CG2-CB 3.91Å; V201-D207 PolarHBondContact N-O 2.93Å; V201-D207 PolarHBondContact O-N 3.47Å; V201-D207 VanDerWaalsContact O-N 3.14Å; V201-A209 HydrophobicContact CB-CB 4.33Å; V201-A209 HydrophobicContact CG1-CB 3.53Å; V201-A209 HydrophobicContact CG2-CB 3.79Å; V201-P230 HydrophobicContact CG1-CB 4.46Å; V201-E232 HydrophobicContact CB-CB 3.9Å; V201-E232 HydrophobicContact CG1-CB 4.08Å; V201-E232 HydrophobicContact CG2-CB 4.26Å
202	G	95.1	Very high	97.2	Very high	26 Å²	26	33.4 Å²	33.4	27%	0.268	17%	0.168	S	C	.	.	S	Bend	trans	71.6	-163.5	179.1	0	0	0	0	0	114.1	E204 G205	G202-E204 PolarHBondContact O-N 2.89Å; G202-G205 PolarHBondContact O-N 3.36Å
203	F	94.3	Very high	97.2	Very high	159 Å²	159	33.4 Å²	33.4	70%	0.697	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-62.6	121.2	-179	-173.8	-101.8	0	0	0	110.4	G205 K206	F203-G205 PolarHBondContact O-N 2.75Å; F203-G205 VanDerWaalsContact O-N 3.1Å; F203-K206 PolarHBondContact O-N 3.1Å
204	E	93.9	Very high	97.2	Very high	123 Å²	123	33.4 Å²	33.4	58%	0.575	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	57.6	17.8	-177.3	-60.1	174.9	173	0	0	115.1	G202 K206	G202-E204 PolarHBondContact O-N 2.89Å; E204-K206 HydrophobicContact CB-CG 4.3Å; E204-K206 PolarHBondContact O-N 3.07Å; E204-K206 WeakPolarHBondContact OE2-CE 3.36Å; E204-K206 IonicContact OE2-NZ 3.7Å; E204-K206 PolarHBondContact OE2-NZ 3.47Å
205	G	94.1	Very high	97.2	Very high	4 Å²	4	33.4 Å²	33.4	4%	0.041	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	69.6	19.8	179	0	0	0	0	0	114.5	G200 V201 G202 F203 R238	G200-G205 WeakPolarHBondContact CA-O 3.45Å; V201-G205 CarbonylContact O-C 3.42Å; V201-G205 VanDerWaalsContact O-C 3.29Å; V201-G205 WeakPolarHBondContact O-CA 3.42Å; G202-G205 PolarHBondContact O-N 3.36Å; F203-G205 PolarHBondContact O-N 2.75Å; F203-G205 VanDerWaalsContact O-N 3.1Å; G205-R238 PolarHBondContact O-NH2 2.94Å
206	K	94.9	Very high	97.2	Very high	139 Å²	139	32.8 Å²	32.8	60%	0.604	16%	0.164	S	C	*	.			trans	-74.2	-28.2	-176.2	-71.6	179.6	-179.2	163.4	0	113.3	V201 F203 E204	V201-K206 PolarHBondContact O-N 3.06Å; F203-K206 PolarHBondContact O-N 3.1Å; E204-K206 HydrophobicContact CB-CG 4.3Å; E204-K206 PolarHBondContact O-N 3.07Å; E204-K206 WeakPolarHBondContact OE2-CE 3.36Å; E204-K206 IonicContact OE2-NZ 3.7Å; E204-K206 PolarHBondContact OE2-NZ 3.47Å
207	D	96.7	Very high	97.2	Very high	96 Å²	96	32.5 Å²	32.5	51%	0.513	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.2	-179.3	-65.9	-46.6	0	0	0	111	G200 V201 R238	G200-D207 WeakPolarHBondContact CA-O 3.46Å; V201-D207 HydrophobicContact CG2-CB 3.91Å; V201-D207 PolarHBondContact N-O 2.93Å; V201-D207 PolarHBondContact O-N 3.47Å; V201-D207 VanDerWaalsContact O-N 3.14Å; D207-R238 PolarHBondContact O-NH2 2.91Å
208	D	97.4	Very high	97.1	Very high	59 Å²	59	33.8 Å²	33.8	32%	0.316	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.2	178.8	-64.9	-64.7	0	0	0	110.5	F198 R238 K281 V285	F198-D208 HydrophobicContact CB-CB 4.27Å; F198-D208 HydrophobicContact CG-CB 4.32Å; D208-R238 IonicContact OD1-CZ 2.88Å; D208-R238 IonicContact OD1-NH1 3.83Å; D208-R238 PolarHBondContact OD1-NH1 3.47Å; D208-R238 IonicContact OD1-NH2 2.89Å; D208-K281 VanDerWaalsContact CG-NZ 3.28Å; D208-K281 IonicContact OD1-NZ 3.47Å; D208-K281 PolarHBondContact OD1-NZ 3.02Å; D208-K281 WeakPolarHBondContact OD2-CE 3.23Å; D208-K281 IonicContact OD2-NZ 3.35Å; D208-K281 PolarHBondContact OD2-NZ 3.47Å; D208-V285 HydrophobicContact CB-CG2 3.72Å
209	A	97.8	Very high	97.1	Very high	15 Å²	15	35 Å²	35	12%	0.124	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145	167.3	0	0	0	0	0	111.7	F198 V199 V201 A211 P230	F198-A209 CarbonylContact C-O 3.55Å; F198-A209 WeakPolarHBondContact CA-O 3.47Å; V199-A209 HydrophobicContact CG2-CB 4.17Å; V199-A209 PolarHBondContact N-O 3.25Å; V199-A209 PolarHBondContact O-N 2.87Å; V201-A209 HydrophobicContact CB-CB 4.33Å; V201-A209 HydrophobicContact CG1-CB 3.53Å; V201-A209 HydrophobicContact CG2-CB 3.79Å; A209-A211 PolarHBondContact O-N 3.2Å; A209-P230 HydrophobicContact CB-CB 3.92Å; A209-P230 HydrophobicContact CB-CG 4.25Å
210	L	98.2	Very high	97	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.1	179.1	-174.4	65.4	0	0	0	111.3	C196 F198 R212 V213 V228 F258 V285 L286	C196-L210 HydrophobicContact CB-CD1 3.75Å; F198-L210 HydrophobicContact CD1-CD1 4.3Å; F198-L210 HydrophobicContact CE1-CD1 4.03Å; L210-R212 WeakPolarHBondContact CD1-O 3.41Å; L210-V213 HydrophobicContact CD1-CB 4.38Å; L210-V228 HydrophobicContact CD2-CB 4.17Å; L210-V228 HydrophobicContact CD2-CG1 4.09Å; L210-V228 HydrophobicContact CD2-CG2 3.75Å; L210-V228 HydrophobicContact CG-CB 4.01Å; L210-V228 HydrophobicContact CG-CG1 4.28Å; L210-V228 HydrophobicContact CG-CG2 3.86Å; L210-F258 HydrophobicContact CB-CD2 4.27Å; L210-F258 HydrophobicContact CB-CE2 4.17Å; L210-F258 HydrophobicContact CD2-CD2 4.21Å; L210-F258 HydrophobicContact CD2-CE2 4.04Å; L210-V285 HydrophobicContact CB-CG1 4.03Å; L210-L286 HydrophobicContact CD2-CD2 3.45Å; L210-L286 VanDerWaalsContact CD2-CD2 3.45Å; L210-L286 HydrophobicContact CD2-CG 4.21Å
211	A	98.2	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-30.7	178.8	0	0	0	0	0	113.7	E197 V199 A209 Y227 V228 I244 L249	E197-A211 PolarHBondContact O-N 2.95Å; V199-A211 HydrophobicContact CB-CB 4.37Å; V199-A211 HydrophobicContact CG1-CB 3.61Å; V199-A211 HydrophobicContact CG2-CB 4.1Å; A209-A211 PolarHBondContact O-N 3.2Å; A211-Y227 CarbonylContact O-C 3.53Å; A211-Y227 VanDerWaalsContact O-CA 3.32Å; A211-Y227 WeakPolarHBondContact O-CA 3.47Å; A211-V228 PolarHBondContact O-N 3.05Å; A211-I244 HydrophobicContact CB-CD1 4.25Å; A211-I244 HydrophobicContact CB-CG1 3.87Å; A211-I244 HydrophobicContact CB-CG2 4.22Å; A211-L249 HydrophobicContact CB-CD1 4.24Å; A211-L249 HydrophobicContact CB-CD2 4.31Å
212	R	98.3	Very high	96.9	Very high	23 Å²	23	38.8 Å²	38.8	9%	0.087	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.6	171.3	-170.9	178.4	178.2	-162.9	-3.6	109.7	C196 E197 L210 D225 T226 Y227 I244 D333 S334	C196-R212 CarbonylContact C-O 3.56Å; C196-R212 VanDerWaalsContact CA-O 3.31Å; C196-R212 WeakPolarHBondContact CA-O 3.43Å; E197-R212 HydrophobicContact CB-CB 4.07Å; E197-R212 HydrophobicContact CG-CB 4.35Å; E197-R212 PolarHBondContact N-O 3.43Å; E197-R212 PolarHBondContact O-N 3.32Å; L210-R212 WeakPolarHBondContact CD1-O 3.41Å; R212-D225 IonicContact CZ-OD1 3.22Å; R212-D225 IonicContact CZ-OD2 2.85Å; R212-D225 IonicContact NE-OD1 3.32Å; R212-D225 PolarHBondContact NE-OD1 3.16Å; R212-D225 IonicContact NE-OD2 3.51Å; R212-D225 IonicContact NH2-OD1 2.92Å; R212-D225 PolarHBondContact NH2-OD1 3.05Å; R212-D225 IonicContact NH2-OD2 3.68Å; R212-D225 PolarHBondContact NH2-OD2 3.46Å; R212-T226 WeakPolarHBondContact CA-O 3.34Å; R212-Y227 HydrophobicContact CB-CD1 4.15Å; R212-Y227 HydrophobicContact CB-CE1 4.41Å; R212-Y227 HydrophobicContact CG-CD1 4.24Å; R212-Y227 HydrophobicContact CG-CE1 4.33Å; R212-I244 HydrophobicContact CB-CD1 3.9Å; R212-D333 IonicContact CZ-OD1 3.09Å; R212-D333 VanDerWaalsContact CZ-OD1 3.32Å; R212-D333 IonicContact NH1-OD1 3.68Å; R212-D333 PolarHBondContact NH1-OD1 3.43Å; R212-D333 IonicContact NH2-OD1 2.78Å; R212-D333 PolarHBondContact NH2-OD1 3.19Å; R212-D333 VanDerWaalsContact NH2-OD1 3.09Å; R212-S334 VanDerWaalsContact CD-OG 3.31Å; R212-S334 WeakPolarHBondContact CD-OG 3.14Å; R212-S334 PolarHBondContact NE-OG 3.01Å
213	V	98.5	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.5	171.5	59.1	0	0	0	0	109.4	M194 L210 I215 L224 D225 T226 V228 V261 V265	M194-V213 HydrophobicContact CG-CG2 4.17Å; M194-V213 HydrophobicContact SD-CG2 4.32Å; L210-V213 HydrophobicContact CD1-CB 4.38Å; V213-I215 HydrophobicContact CG2-CG1 4.32Å; V213-L224 HydrophobicContact CG1-CD2 4.15Å; V213-D225 WeakPolarHBondContact O-CA 3.26Å; V213-T226 HydrophobicContact CG1-CG2 3.79Å; V213-T226 PolarHBondContact N-O 2.93Å; V213-T226 PolarHBondContact O-N 3.03Å; V213-T226 VanDerWaalsContact O-N 3.11Å; V213-V228 HydrophobicContact CG1-CG2 4.15Å; V213-V261 HydrophobicContact CG1-CG1 3.55Å; V213-V265 HydrophobicContact CG1-CG2 4.15Å; V213-V265 HydrophobicContact CG2-CG2 4.18Å
214	S	98.7	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	173.9	-50.3	0	0	0	0	110.6	M194 D195 L224 D225 S334 I335	M194-S214 WeakPolarHBondContact CA-O 3.41Å; D195-S214 PolarHBondContact N-O 3.31Å; D195-S214 VanDerWaalsContact N-O 3.09Å; D195-S214 PolarHBondContact O-N 2.94Å; S214-L224 CarbonylContact C-O 3.59Å; S214-L224 VanDerWaalsContact CA-O 3.29Å; S214-L224 WeakPolarHBondContact CA-O 3.38Å; S214-D225 PolarHBondContact OG-OD1 3.22Å; S214-S334 VanDerWaalsContact OG-CB 3.31Å; S214-S334 WeakPolarHBondContact OG-CB 3.47Å; S214-S334 PolarHBondContact OG-OG 3.48Å; S214-I335 PolarHBondContact OG-N 3.29Å
215	I	98.7	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	177.2	-54.3	178.8	0	0	0	109.5	I192 A193 M194 V213 L223 L224 V265 L268 I269	I192-I215 HydrophobicContact CB-CG2 4.05Å; I192-I215 HydrophobicContact CD1-CG2 4.08Å; A193-I215 CarbonylContact O-C 3.51Å; A193-I215 VanDerWaalsContact O-CA 3.3Å; A193-I215 WeakPolarHBondContact O-CA 3.23Å; A193-I215 WeakPolarHBondContact O-CG2 3.41Å; M194-I215 HydrophobicContact CB-CG1 4.17Å; M194-I215 HydrophobicContact CG-CD1 4.45Å; M194-I215 HydrophobicContact CG-CG1 3.9Å; M194-I215 HydrophobicContact SD-CD1 4.22Å; M194-I215 HydrophobicContact SD-CG1 4.32Å; V213-I215 HydrophobicContact CG2-CG1 4.32Å; I215-L223 HydrophobicContact CG2-CD1 4.48Å; I215-L223 PolarHBondContact O-N 3.1Å; I215-L224 HydrophobicContact CB-CB 4.21Å; I215-L224 HydrophobicContact CD1-CB 4.49Å; I215-L224 HydrophobicContact CD1-CD2 4.1Å; I215-L224 HydrophobicContact CG1-CB 4.38Å; I215-L224 PolarHBondContact N-O 3.35Å; I215-L224 PolarHBondContact O-N 2.96Å; I215-V265 HydrophobicContact CD1-CG1 4.13Å; I215-V265 HydrophobicContact CD1-CG2 4.24Å; I215-L268 HydrophobicContact CB-CD2 4.34Å; I215-L268 HydrophobicContact CD1-CD1 4.37Å; I215-L268 HydrophobicContact CD1-CD2 3.95Å; I215-L268 HydrophobicContact CG2-CD2 3.57Å; I215-I269 HydrophobicContact CD1-CG2 4.35Å
216	V	98.6	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.2	178.5	-54.9	0	0	0	0	112.2	I192 A193 H221 A338 R339 M342	I192-V216 CarbonylContact C-O 3.52Å; I192-V216 WeakPolarHBondContact CA-O 3.45Å; A193-V216 HydrophobicContact CB-CG2 3.87Å; A193-V216 PolarHBondContact N-O 2.67Å; A193-V216 PolarHBondContact O-N 3.3Å; V216-H221 CarbonylContact C-O 3.56Å; V216-H221 VanDerWaalsContact CA-O 3.23Å; V216-H221 WeakPolarHBondContact CA-O 3.35Å; V216-H221 WeakPolarHBondContact CB-O 3.42Å; V216-A338 HydrophobicContact CG1-CB 4.11Å; V216-A338 HydrophobicContact CG2-CB 3.98Å; V216-R339 HydrophobicContact CB-CG 4.5Å; V216-R339 HydrophobicContact CG1-CG 3.94Å; V216-R339 HydrophobicContact CG2-CG 4.39Å; V216-M342 HydrophobicContact CG2-CB 4.28Å
217	N	98	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	177.9	175.1	81.6	6.5	0	0	0	112.2	F185 A186 G187 T189 F219 G220 H221 L223	F185-N217 PolarHBondContact O-ND2 3.48Å; A186-N217 PolarHBondContact O-ND2 3.36Å; A186-N217 VanDerWaalsContact O-ND2 3.17Å; G187-N217 PolarHBondContact O-ND2 3.18Å; T189-N217 HydrophobicContact CG2-CB 4.13Å; N217-F219 PolarHBondContact O-N 3.11Å; N217-F219 WeakPolarHBondContact OD1-CA 3.39Å; N217-F219 WeakPolarHBondContact OD1-CB 3.46Å; N217-F219 PolarHBondContact OD1-N 3.07Å; N217-G220 PolarHBondContact O-N 3.49Å; N217-G220 PolarHBondContact OD1-N 3.49Å; N217-G220 VanDerWaalsContact OD1-N 3.11Å; N217-H221 PolarHBondContact N-O 3.34Å; N217-H221 PolarHBondContact OD1-N 3.4Å; N217-L223 HydrophobicContact CB-CD1 4Å; N217-L223 HydrophobicContact CB-CD2 4.13Å; N217-L223 HydrophobicContact CB-CG 4.1Å
218	Q	96.8	Very high	97.9	Very high	39 Å²	39	21.5 Å²	21.5	18%	0.182	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.4	-177.4	76.8	-175.4	-13.3	0	0	115.5	T189 R191 M342	T189-Q218 HydrophobicContact CG2-CG 3.99Å; T189-Q218 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q218 WeakPolarHBondContact OG1-CG 3.36Å; T189-Q218 PolarHBondContact OG1-N 3.37Å; T189-Q218 VanDerWaalsContact OG1-N 3.15Å; R191-Q218 HydrophobicContact CB-CB 4.19Å; R191-Q218 PolarHBondContact O-N 3Å; Q218-M342 HydrophobicContact CB-SD 4.34Å
219	F	96.3	Very high	97.9	Very high	45 Å²	45	22.6 Å²	22.6	20%	0.197	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-7	-179.4	-55.1	-66.8	0	0	0	112.5	K181 S184 F185 T189 N217	K181-F219 HydrophobicContact CB-CB 4.32Å; K181-F219 HydrophobicContact CD-CD1 4.22Å; K181-F219 PolarHBondContact N-O 3.04Å; S184-F219 VanDerWaalsContact CB-CG 3.5Å; F185-F219 HydrophobicContact CB-CD2 4.41Å; F185-F219 HydrophobicContact CB-CE2 3.97Å; F185-F219 VanDerWaalsContact O-CD2 3.29Å; F185-F219 WeakPolarHBondContact O-CD2 3.38Å; T189-F219 HydrophobicContact CG2-CD2 4.24Å; T189-F219 HydrophobicContact CG2-CE2 4.02Å; N217-F219 PolarHBondContact O-N 3.11Å; N217-F219 WeakPolarHBondContact OD1-CA 3.39Å; N217-F219 WeakPolarHBondContact OD1-CB 3.46Å; N217-F219 PolarHBondContact OD1-N 3.07Å
220	G	96.1	Very high	97.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	96.4	1.5	-179.8	0	0	0	0	0	114.7	V180 N217 R339	V180-G220 WeakPolarHBondContact CG2-O 3.43Å; N217-G220 PolarHBondContact O-N 3.49Å; N217-G220 PolarHBondContact OD1-N 3.49Å; N217-G220 VanDerWaalsContact OD1-N 3.11Å; G220-R339 PolarHBondContact O-NE 3.4Å
221	H	97.2	Very high	97.5	Very high	30 Å²	30	27.7 Å²	27.7	14%	0.139	13%	0.132	C	C	.	.			trans	-72.4	135.9	174	-60.8	-78.9	0	0	0	110.4	K181 S184 F185 A186 V216 N217	K181-H221 PolarHBondContact O-NE2 2.99Å; K181-H221 VanDerWaalsContact O-NE2 3.09Å; S184-H221 PolarHBondContact O-NE2 3.22Å; F185-H221 PolarHBondContact O-CD2 2.91Å; A186-H221 HydrophobicContact CB-CB 4.38Å; V216-H221 CarbonylContact C-O 3.56Å; V216-H221 VanDerWaalsContact CA-O 3.23Å; V216-H221 WeakPolarHBondContact CA-O 3.35Å; V216-H221 WeakPolarHBondContact CB-O 3.42Å; N217-H221 PolarHBondContact N-O 3.34Å; N217-H221 PolarHBondContact OD1-N 3.4Å
222	T	98.1	Very high	97.4	Very high	52 Å²	52	32.6 Å²	32.6	32%	0.319	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.3	-179.7	-51.9	0	0	0	0	110	L224 D225 R339	T222-L224 WeakPolarHBondContact CG2-O 3.3Å; T222-D225 HydrophobicContact CG2-CB 3.79Å; T222-R339 PolarHBondContact OG1-NH2 3.26Å; T222-R339 VanDerWaalsContact OG1-NH2 3.07Å
223	L	98.2	Very high	97.2	Very high	41 Å²	41	42 Å²	42	22%	0.215	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-35	175.2	-59.9	178.5	0	0	0	111.5	P188 I192 I215 N217 L268	P188-L223 HydrophobicContact CB-CD1 4.33Å; P188-L223 HydrophobicContact CG-CD2 4.18Å; I192-L223 HydrophobicContact CG2-CD1 3.83Å; I215-L223 HydrophobicContact CG2-CD1 4.48Å; I215-L223 PolarHBondContact O-N 3.1Å; N217-L223 HydrophobicContact CB-CD1 4Å; N217-L223 HydrophobicContact CB-CD2 4.13Å; N217-L223 HydrophobicContact CB-CG 4.1Å; L223-L268 HydrophobicContact CB-CD1 4.06Å; L223-L268 HydrophobicContact CD1-CD2 4.11Å
224	L	98.4	Very high	97.1	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.7	175.8	178.5	64	0	0	0	107.6	V213 S214 I215 T222 T226 V265 L268	V213-L224 HydrophobicContact CG1-CD2 4.15Å; S214-L224 CarbonylContact C-O 3.59Å; S214-L224 VanDerWaalsContact CA-O 3.29Å; S214-L224 WeakPolarHBondContact CA-O 3.38Å; I215-L224 HydrophobicContact CB-CB 4.21Å; I215-L224 HydrophobicContact CD1-CB 4.49Å; I215-L224 HydrophobicContact CD1-CD2 4.1Å; I215-L224 HydrophobicContact CG1-CB 4.38Å; I215-L224 PolarHBondContact N-O 3.35Å; I215-L224 PolarHBondContact O-N 2.96Å; T222-L224 WeakPolarHBondContact CG2-O 3.3Å; L224-T226 HydrophobicContact CD1-CG2 3.96Å; L224-T226 HydrophobicContact CG-CG2 4.27Å; L224-V265 HydrophobicContact CD2-CG2 3.59Å; L224-L268 HydrophobicContact CB-CD1 4.2Å
225	D	98.3	Very high	97.1	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	113.4	164.1	-179.5	42.9	0	0	0	107.5	R212 V213 S214 T222 I335	R212-D225 IonicContact CZ-OD1 3.22Å; R212-D225 IonicContact CZ-OD2 2.85Å; R212-D225 IonicContact NE-OD1 3.32Å; R212-D225 PolarHBondContact NE-OD1 3.16Å; R212-D225 IonicContact NE-OD2 3.51Å; R212-D225 IonicContact NH2-OD1 2.92Å; R212-D225 PolarHBondContact NH2-OD1 3.05Å; R212-D225 IonicContact NH2-OD2 3.68Å; R212-D225 PolarHBondContact NH2-OD2 3.46Å; V213-D225 WeakPolarHBondContact O-CA 3.26Å; S214-D225 PolarHBondContact OG-OD1 3.22Å; T222-D225 HydrophobicContact CG2-CB 3.79Å; D225-I335 HydrophobicContact CB-CD1 3.94Å; D225-I335 HydrophobicContact CB-CG1 4.17Å; D225-I335 VanDerWaalsContact CG-CD1 3.49Å; D225-I335 WeakPolarHBondContact OD2-CD1 3.22Å
226	T	97.9	Very high	97	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139	-175	-166.4	0	0	0	0	111.6	R212 V213 L224 V228 R256 V261	R212-T226 WeakPolarHBondContact CA-O 3.34Å; V213-T226 HydrophobicContact CG1-CG2 3.79Å; V213-T226 PolarHBondContact N-O 2.93Å; V213-T226 PolarHBondContact O-N 3.03Å; V213-T226 VanDerWaalsContact O-N 3.11Å; L224-T226 HydrophobicContact CD1-CG2 3.96Å; L224-T226 HydrophobicContact CG-CG2 4.27Å; T226-V228 HydrophobicContact CG2-CG2 4.39Å; T226-R256 WeakPolarHBondContact OG1-CD 3.36Å; T226-V261 HydrophobicContact CG2-CB 4.47Å; T226-V261 HydrophobicContact CG2-CG1 3.72Å; T226-V261 HydrophobicContact CG2-CG2 3.86Å
227	Y	98.4	Very high	97	Very high	54 Å²	54	53.9 Å²	53.9	21%	0.212	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.4	166	-67.9	-80	0	0	0	109.6	A211 R212 I244 D248 L249 A255 R256	A211-Y227 CarbonylContact O-C 3.53Å; A211-Y227 VanDerWaalsContact O-CA 3.32Å; A211-Y227 WeakPolarHBondContact O-CA 3.47Å; R212-Y227 HydrophobicContact CB-CD1 4.15Å; R212-Y227 HydrophobicContact CB-CE1 4.41Å; R212-Y227 HydrophobicContact CG-CD1 4.24Å; R212-Y227 HydrophobicContact CG-CE1 4.33Å; Y227-I244 HydrophobicContact CD1-CD1 3.94Å; Y227-I244 HydrophobicContact CE1-CD1 3.59Å; Y227-D248 HydrophobicContact CD1-CB 3.76Å; Y227-D248 HydrophobicContact CE1-CB 3.71Å; Y227-D248 HydrophobicContact CG-CB 4.22Å; Y227-L249 HydrophobicContact CD1-CD2 4.46Å; Y227-A255 WeakPolarHBondContact O-CA 3Å; Y227-R256 PolarHBondContact O-N 2.79Å
228	V	98	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.5	-175.3	-170.6	0	0	0	0	108.6	L210 A211 V213 T226 P230 L249 R256 F258 V261	L210-V228 HydrophobicContact CD2-CB 4.17Å; L210-V228 HydrophobicContact CD2-CG1 4.09Å; L210-V228 HydrophobicContact CD2-CG2 3.75Å; L210-V228 HydrophobicContact CG-CB 4.01Å; L210-V228 HydrophobicContact CG-CG1 4.28Å; L210-V228 HydrophobicContact CG-CG2 3.86Å; A211-V228 PolarHBondContact O-N 3.05Å; V213-V228 HydrophobicContact CG1-CG2 4.15Å; T226-V228 HydrophobicContact CG2-CG2 4.39Å; V228-P230 VanDerWaalsContact O-CD 3.24Å; V228-P230 WeakPolarHBondContact O-CD 3.41Å; V228-L249 WeakPolarHBondContact O-CD2 3.47Å; V228-R256 CarbonylContact C-O 3.39Å; V228-R256 WeakPolarHBondContact CA-O 3.43Å; V228-F258 HydrophobicContact CG1-CB 4.09Å; V228-F258 HydrophobicContact CG1-CD2 4.05Å; V228-V261 HydrophobicContact CG1-CB 4.5Å; V228-V261 HydrophobicContact CG1-CG2 4.48Å; V228-V261 HydrophobicContact CG2-CB 4.23Å; V228-V261 HydrophobicContact CG2-CG1 3.83Å; V228-V261 HydrophobicContact CG2-CG2 4.13Å
229	R	96.9	Very high	96.9	Very high	83 Å²	83	56.2 Å²	56.2	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.3	175	-171.2	175.5	71.1	-152.7	3.1	109.1	A255 R256	R229-A255 HydrophobicContact CB-CB 4.24Å; R229-R256 PolarHBondContact N-O 2.78Å
230	P	95.5	Very high	96.8	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.104	30%	0.295	C	S	.	.			trans	-59.1	149.3	174	-25.3	37.6	0	0	0	111.8	V199 V201 A209 V228 E232 V234 L249	V199-P230 HydrophobicContact CG2-CG 3.75Å; V201-P230 HydrophobicContact CG1-CB 4.46Å; A209-P230 HydrophobicContact CB-CB 3.92Å; A209-P230 HydrophobicContact CB-CG 4.25Å; V228-P230 VanDerWaalsContact O-CD 3.24Å; V228-P230 WeakPolarHBondContact O-CD 3.41Å; P230-E232 VanDerWaalsContact C-N 3.35Å; P230-V234 HydrophobicContact CB-CG2 4.37Å; P230-V234 HydrophobicContact CG-CG2 3.85Å; P230-L249 HydrophobicContact CG-CD1 4.2Å
231	E	93.2	Very high	96.7	Very high	109 Å²	109	67 Å²	67	51%	0.509	32%	0.318	S	S	.	.	S	Bend	trans	-72	-33.7	174.8	-61.8	-179.1	140.4	0	0	111.1	F258 R287	E231-F258 HydrophobicContact CG-CB 4.19Å; E231-R287 IonicContact OE1-NH1 2.92Å; E231-R287 IonicContact OE2-CZ 3.59Å; E231-R287 IonicContact OE2-NH1 2.64Å; E231-R287 PolarHBondContact OE2-NH1 3.14Å; E231-R287 IonicContact OE2-NH2 3.7Å; E231-R287 PolarHBondContact OE2-NH2 2.78Å
232	E	94.5	Very high	96.6	Very high	103 Å²	103	65.8 Å²	65.8	48%	0.481	31%	0.312	S	S	.	.	S	Bend	trans	-96.7	161.9	179.8	-66.6	177.5	-124.6	0	0	112.5	V201 P230 V234	V201-E232 HydrophobicContact CB-CB 3.9Å; V201-E232 HydrophobicContact CG1-CB 4.08Å; V201-E232 HydrophobicContact CG2-CB 4.26Å; P230-E232 VanDerWaalsContact C-N 3.35Å; E232-V234 PolarHBondContact O-N 2.9Å
233	R	95	Very high	96.5	Very high	221 Å²	221	64 Å²	64	83%	0.834	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-66.2	127.1	174.9	-179.2	-179.7	175.6	-171.4	-0.5	110.1	V235	R233-V235 PolarHBondContact O-N 3.01Å
234	V	97.2	Very high	96.4	Very high	24 Å²	24	62.1 Å²	62.1	15%	0.145	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69	125	172.2	-177	0	0	0	0	109.9	V199 P230 E232 Y237 L249	V199-V234 HydrophobicContact CB-CG1 3.92Å; V199-V234 HydrophobicContact CB-CG2 4.45Å; V199-V234 HydrophobicContact CG1-CG1 4.43Å; V199-V234 HydrophobicContact CG2-CG1 4.13Å; V199-V234 HydrophobicContact CG2-CG2 3.77Å; P230-V234 HydrophobicContact CB-CG2 4.37Å; P230-V234 HydrophobicContact CG-CG2 3.85Å; E232-V234 PolarHBondContact O-N 2.9Å; V234-Y237 HydrophobicContact CB-CE1 4.42Å; V234-Y237 HydrophobicContact CB-CE2 4.27Å; V234-Y237 HydrophobicContact CG1-CD1 4.06Å; V234-Y237 HydrophobicContact CG1-CD2 3.84Å; V234-Y237 HydrophobicContact CG1-CE1 3.97Å; V234-Y237 HydrophobicContact CG1-CE2 3.74Å; V234-Y237 HydrophobicContact CG1-CG 4Å; V234-L249 HydrophobicContact CG2-CD1 4.19Å
235	V	97.5	Very high	96.4	Very high	84 Å²	84	64.6 Å²	64.6	51%	0.509	30%	0.304	S	S	.	.	S	Bend	trans	-98.2	-40.8	175.1	177.3	0	0	0	0	110.4	G200 R233	G200-V235 PolarHBondContact O-N 3.16Å; R233-V235 PolarHBondContact O-N 3.01Å
236	D	97.7	Very high	96.3	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-134.4	123.7	178.3	178.6	13.3	0	0	0	110.4	G200 R238	G200-D236 WeakPolarHBondContact CA-O 3.32Å; G200-D236 PolarHBondContact N-O 3.47Å; G200-D236 PolarHBondContact O-N 3Å; D236-R238 VanDerWaalsContact C-N 3.28Å; D236-R238 HydrophobicContact CB-CG 4.41Å; D236-R238 PolarHBondContact O-N 3.44Å; D236-R238 PolarHBondContact OD1-N 3.27Å; D236-R238 VanDerWaalsContact OD2-CG 3.29Å; D236-R238 WeakPolarHBondContact OD2-CG 3.49Å
237	Y	97.5	Very high	96.2	Very high	62 Å²	62	71.5 Å²	71.5	24%	0.243	33%	0.332	C	S	.	.			trans	-76.7	-16.9	178.4	-76	-92	0	0	0	113.1	V199 V234 T239 S242 I244 P246 L249	V199-Y237 HydrophobicContact CG1-CD1 4.31Å; V234-Y237 HydrophobicContact CB-CE1 4.42Å; V234-Y237 HydrophobicContact CB-CE2 4.27Å; V234-Y237 HydrophobicContact CG1-CD1 4.06Å; V234-Y237 HydrophobicContact CG1-CD2 3.84Å; V234-Y237 HydrophobicContact CG1-CE1 3.97Å; V234-Y237 HydrophobicContact CG1-CE2 3.74Å; V234-Y237 HydrophobicContact CG1-CG 4Å; Y237-T239 WeakPolarHBondContact CB-OG1 3.27Å; Y237-T239 PolarHBondContact O-N 2.99Å; Y237-T239 VanDerWaalsContact O-N 3.12Å; Y237-S242 PolarHBondContact O-OG 3.32Å; Y237-I244 HydrophobicContact CD1-CG2 4.14Å; Y237-P246 HydrophobicContact CD1-CG 4.39Å; Y237-P246 HydrophobicContact CD2-CG 4.06Å; Y237-P246 HydrophobicContact CE1-CB 4.1Å; Y237-P246 HydrophobicContact CE1-CG 4.03Å; Y237-P246 HydrophobicContact CE2-CB 4.23Å; Y237-P246 HydrophobicContact CE2-CG 3.67Å; Y237-P246 HydrophobicContact CG-CG 4.4Å; Y237-L249 HydrophobicContact CD1-CD1 4.38Å; Y237-L249 HydrophobicContact CE1-CD1 3.94Å; Y237-L249 HydrophobicContact CE1-CG 4.43Å
238	R	96.6	Very high	96.1	Very high	52 Å²	52	70 Å²	70	20%	0.196	33%	0.328	C	S	.	.			trans	54.8	30.7	-178.5	-57	172.7	-177.1	172.2	-2.6	112.6	G200 G205 D207 D208 D236 K240 V241 S242	G200-R238 VanDerWaalsContact CA-NH2 3.34Å; G205-R238 PolarHBondContact O-NH2 2.94Å; D207-R238 PolarHBondContact O-NH2 2.91Å; D208-R238 IonicContact OD1-CZ 2.88Å; D208-R238 IonicContact OD1-NH1 3.83Å; D208-R238 PolarHBondContact OD1-NH1 3.47Å; D208-R238 IonicContact OD1-NH2 2.89Å; D236-R238 VanDerWaalsContact C-N 3.28Å; D236-R238 HydrophobicContact CB-CG 4.41Å; D236-R238 PolarHBondContact O-N 3.44Å; D236-R238 PolarHBondContact OD1-N 3.27Å; D236-R238 VanDerWaalsContact OD2-CG 3.29Å; D236-R238 WeakPolarHBondContact OD2-CG 3.49Å; R238-K240 PolarHBondContact O-N 3.22Å; R238-K240 VanDerWaalsContact O-N 3.09Å; R238-V241 PolarHBondContact O-N 3.47Å; R238-S242 PolarHBondContact O-N 2.8Å; R238-S242 PolarHBondContact O-OG 2.89Å; R238-S242 VanDerWaalsContact O-OG 3.13Å
239	T	96.5	Very high	96	Very high	36 Å²	36	70.7 Å²	70.7	22%	0.221	33%	0.331	C	S	.	.	H	α-helix	trans	-51.4	-39.9	-167.5	-60.9	0	0	0	0	114	Y237 V241 G243 I244 R245	Y237-T239 WeakPolarHBondContact CB-OG1 3.27Å; Y237-T239 PolarHBondContact O-N 2.99Å; Y237-T239 VanDerWaalsContact O-N 3.12Å; T239-V241 PolarHBondContact O-N 3.36Å; T239-V241 VanDerWaalsContact O-N 3.12Å; T239-G243 WeakPolarHBondContact O-CA 3.24Å; T239-G243 PolarHBondContact O-N 3.4Å; T239-I244 WeakPolarHBondContact CB-O 3.42Å; T239-I244 PolarHBondContact OG1-O 3.3Å; T239-R245 VanDerWaalsContact CG2-CD 3.48Å; T239-R245 VanDerWaalsContact CG2-NE 3.25Å
240	K	94.1	Very high	95.8	Very high	191 Å²	191	74.6 Å²	74.6	83%	0.83	35%	0.346	S	S	*	.	H	α-helix	trans	-57.7	-27.2	178.2	-65	-178.2	178.7	179.7	0	113.2	R238	R238-K240 PolarHBondContact O-N 3.22Å; R238-K240 VanDerWaalsContact O-N 3.09Å
241	V	93.7	Very high	95.4	Very high	82 Å²	82	81.5 Å²	81.5	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-104.4	-51.7	178.9	-175.4	0	0	0	0	109.8	R238 T239 H332	R238-V241 PolarHBondContact O-N 3.47Å; T239-V241 PolarHBondContact O-N 3.36Å; T239-V241 VanDerWaalsContact O-N 3.12Å; V241-H332 WeakPolarHBondContact O-CB 3.47Å; V241-H332 PolarHBondContact O-N 2.84Å
242	S	95.5	Very high	95.2	Very high	4 Å²	4	84 Å²	84	3%	0.028	39%	0.391	C	S	.	.	H	α-helix	trans	-80.7	-17.6	-169.4	69.5	0	0	0	0	115.2	E197 Y237 R238 I244	E197-S242 WeakPolarHBondContact OE2-CA 3.42Å; Y237-S242 PolarHBondContact O-OG 3.32Å; R238-S242 PolarHBondContact O-N 2.8Å; R238-S242 PolarHBondContact O-OG 2.89Å; R238-S242 VanDerWaalsContact O-OG 3.13Å; S242-I244 PolarHBondContact O-N 3.19Å; S242-I244 VanDerWaalsContact O-N 3.1Å; S242-I244 PolarHBondContact OG-N 2.79Å; S242-I244 VanDerWaalsContact OG-N 3.16Å
243	G	95.5	Very high	95	Very high	16 Å²	16	81 Å²	81	17%	0.165	39%	0.388	C	S	.	.			trans	68.4	-2.8	-169	0	0	0	0	0	114.9	T239 R245 E331	T239-G243 WeakPolarHBondContact O-CA 3.24Å; T239-G243 PolarHBondContact O-N 3.4Å; G243-R245 PolarHBondContact O-NH1 3.48Å; G243-E331 WeakPolarHBondContact CA-OE2 3.37Å
244	I	97.4	Very high	94.8	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	38%	0.375	C	S	.	.			trans	-79.4	137	-173.2	-51.8	-59.8	0	0	0	111.4	E197 V199 A211 R212 Y227 Y237 T239 S242 L249	E197-I244 HydrophobicContact CB-CD1 4.2Å; E197-I244 HydrophobicContact CB-CG1 4.2Å; V199-I244 HydrophobicContact CG1-CB 4.23Å; V199-I244 HydrophobicContact CG1-CG2 4.08Å; A211-I244 HydrophobicContact CB-CD1 4.25Å; A211-I244 HydrophobicContact CB-CG1 3.87Å; A211-I244 HydrophobicContact CB-CG2 4.22Å; R212-I244 HydrophobicContact CB-CD1 3.9Å; Y227-I244 HydrophobicContact CD1-CD1 3.94Å; Y227-I244 HydrophobicContact CE1-CD1 3.59Å; Y237-I244 HydrophobicContact CD1-CG2 4.14Å; T239-I244 WeakPolarHBondContact CB-O 3.42Å; T239-I244 PolarHBondContact OG1-O 3.3Å; S242-I244 PolarHBondContact O-N 3.19Å; S242-I244 VanDerWaalsContact O-N 3.1Å; S242-I244 PolarHBondContact OG-N 2.79Å; S242-I244 VanDerWaalsContact OG-N 3.16Å; I244-L249 HydrophobicContact CG2-CD1 3.87Å; I244-L249 HydrophobicContact CG2-CD2 4.09Å; I244-L249 HydrophobicContact CG2-CG 3.82Å
245	R	96.7	Very high	94.8	Very high	63 Å²	63	73.5 Å²	73.5	24%	0.238	37%	0.371	C	S	.	.			trans	-116.9	158.7	174	-57.3	-58.4	-166.1	-74	11.3	111.8	T239 G243 R247 D248 E331	T239-R245 VanDerWaalsContact CG2-CD 3.48Å; T239-R245 VanDerWaalsContact CG2-NE 3.25Å; G243-R245 PolarHBondContact O-NH1 3.48Å; R245-R247 HydrophobicContact CB-CG 3.87Å; R245-R247 PolarHBondContact O-N 3.04Å; R245-R247 VanDerWaalsContact O-N 3.15Å; R245-D248 WeakPolarHBondContact CA-OD2 3.33Å; R245-D248 VanDerWaalsContact CB-OD2 3.3Å; R245-D248 WeakPolarHBondContact CB-OD2 3.22Å; R245-D248 PolarHBondContact N-OD2 3.42Å; R245-D248 WeakPolarHBondContact O-CB 3.43Å; R245-D248 PolarHBondContact O-N 3.45Å; R245-E331 IonicContact CZ-OE1 2.62Å; R245-E331 IonicContact CZ-OE2 3.33Å; R245-E331 VanDerWaalsContact NH1-CD 3.35Å; R245-E331 IonicContact NH1-OE1 2.73Å; R245-E331 PolarHBondContact NH1-OE1 3.34Å; R245-E331 IonicContact NH1-OE2 3.37Å; R245-E331 PolarHBondContact NH1-OE2 3.42Å; R245-E331 IonicContact NH2-OE1 3.3Å; R245-E331 PolarHBondContact NH2-OE1 2.99Å; R245-E331 IonicContact NH2-OE2 2.75Å; R245-E331 PolarHBondContact NH2-OE2 3.4Å
246	P	96.2	Very high	94.8	Very high	67 Å²	67	73.4 Å²	73.4	44%	0.435	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.3	173.8	-26.1	31.9	0	0	0	114.7	Y237 D248 L249	Y237-P246 HydrophobicContact CD1-CG 4.39Å; Y237-P246 HydrophobicContact CD2-CG 4.06Å; Y237-P246 HydrophobicContact CE1-CB 4.1Å; Y237-P246 HydrophobicContact CE1-CG 4.03Å; Y237-P246 HydrophobicContact CE2-CB 4.23Å; Y237-P246 HydrophobicContact CE2-CG 3.67Å; Y237-P246 HydrophobicContact CG-CG 4.4Å; P246-D248 VanDerWaalsContact C-N 3.27Å; P246-D248 PolarHBondContact O-N 2.93Å; P246-L249 PolarHBondContact O-N 3.28Å
247	R	95.9	Very high	94.8	Very high	154 Å²	154	71.8 Å²	71.8	58%	0.581	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-31	178.1	64	-178.7	178.2	-129	-0.2	113.3	R245 L249	R245-R247 HydrophobicContact CB-CG 3.87Å; R245-R247 PolarHBondContact O-N 3.04Å; R245-R247 VanDerWaalsContact O-N 3.15Å; R247-L249 VanDerWaalsContact C-N 3.29Å; R247-L249 PolarHBondContact O-N 2.67Å
248	D	96.5	Very high	94.7	Very high	23 Å²	23	69.6 Å²	69.6	12%	0.123	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27	-176.1	-51.7	-37	0	0	0	111.1	Y227 R245 P246 A255	Y227-D248 HydrophobicContact CD1-CB 3.76Å; Y227-D248 HydrophobicContact CE1-CB 3.71Å; Y227-D248 HydrophobicContact CG-CB 4.22Å; R245-D248 WeakPolarHBondContact CA-OD2 3.33Å; R245-D248 VanDerWaalsContact CB-OD2 3.3Å; R245-D248 WeakPolarHBondContact CB-OD2 3.22Å; R245-D248 PolarHBondContact N-OD2 3.42Å; R245-D248 WeakPolarHBondContact O-CB 3.43Å; R245-D248 PolarHBondContact O-N 3.45Å; P246-D248 VanDerWaalsContact C-N 3.27Å; P246-D248 PolarHBondContact O-N 2.93Å; D248-A255 VanDerWaalsContact O-CB 3.27Å; D248-A255 WeakPolarHBondContact O-CB 3.32Å
249	L	96.5	Very high	94.7	Very high	14 Å²	14	71.3 Å²	71.3	7%	0.073	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.7	-175.9	-53.5	-171.2	0	0	0	114.1	V199 A211 Y227 V228 P230 V234 Y237 I244 P246 R247 A255	V199-L249 HydrophobicContact CG1-CD1 4.17Å; V199-L249 HydrophobicContact CG2-CD1 4.42Å; A211-L249 HydrophobicContact CB-CD1 4.24Å; A211-L249 HydrophobicContact CB-CD2 4.31Å; Y227-L249 HydrophobicContact CD1-CD2 4.46Å; V228-L249 WeakPolarHBondContact O-CD2 3.47Å; P230-L249 HydrophobicContact CG-CD1 4.2Å; V234-L249 HydrophobicContact CG2-CD1 4.19Å; Y237-L249 HydrophobicContact CD1-CD1 4.38Å; Y237-L249 HydrophobicContact CE1-CD1 3.94Å; Y237-L249 HydrophobicContact CE1-CG 4.43Å; I244-L249 HydrophobicContact CG2-CD1 3.87Å; I244-L249 HydrophobicContact CG2-CD2 4.09Å; I244-L249 HydrophobicContact CG2-CG 3.82Å; P246-L249 PolarHBondContact O-N 3.28Å; R247-L249 VanDerWaalsContact C-N 3.29Å; R247-L249 PolarHBondContact O-N 2.67Å; L249-A255 HydrophobicContact CD2-CB 4.41Å
250	R	92.1	Very high	94.8	Very high	165 Å²	165	73.3 Å²	73.3	62%	0.623	37%	0.37	S	S	*	.			trans	-62.2	142.5	-179	-73.3	179.6	178.5	-162.5	2.1	111.3	N252 G253	R250-N252 PolarHBondContact O-N 3.33Å; R250-G253 PolarHBondContact O-N 2.96Å
251	K	87.8	Confident	95	Very high	162 Å²	162	64.2 Å²	64.2	70%	0.704	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.8	179.1	174.7	163.1	-177.5	-174	0	113.7
252	N	88.5	Confident	95.2	Very high	160 Å²	160	62.5 Å²	62.5	86%	0.856	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	17.1	177.2	-57.3	-8.7	0	0	0	112	R250	R250-N252 PolarHBondContact O-N 3.33Å
253	G	90.1	Very high	95.3	Very high	40 Å²	40	69.1 Å²	69.1	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	-96.5	-159.3	179.9	0	0	0	0	0	112.7	R250 A255	R250-G253 PolarHBondContact O-N 2.96Å; G253-A255 VanDerWaalsContact C-N 3.29Å; G253-A255 PolarHBondContact O-N 3.21Å
254	S	91.9	Very high	95.4	Very high	81 Å²	81	71.7 Å²	71.7	57%	0.566	35%	0.353	S	S	*	.	S	Bend	trans	-76.6	-11.9	177.6	54	0	0	0	0	114	R256	S254-R256 PolarHBondContact O-N 3.37Å
255	A	96.7	Very high	95.5	Very high	8 Å²	8	71.7 Å²	71.7	7%	0.066	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-71.4	127.7	-179.5	0	0	0	0	0	112.8	Y227 R229 D248 L249 G253	Y227-A255 WeakPolarHBondContact O-CA 3Å; R229-A255 HydrophobicContact CB-CB 4.24Å; D248-A255 VanDerWaalsContact O-CB 3.27Å; D248-A255 WeakPolarHBondContact O-CB 3.32Å; L249-A255 HydrophobicContact CD2-CB 4.41Å; G253-A255 VanDerWaalsContact C-N 3.29Å; G253-A255 PolarHBondContact O-N 3.21Å
256	R	97.2	Very high	95.5	Very high	81 Å²	81	70.1 Å²	70.1	31%	0.306	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	151.1	177.7	-70.1	172.2	61.6	-157.4	-0.9	111.1	T226 Y227 V228 R229 S254 V261 E264	T226-R256 WeakPolarHBondContact OG1-CD 3.36Å; Y227-R256 PolarHBondContact O-N 2.79Å; V228-R256 CarbonylContact C-O 3.39Å; V228-R256 WeakPolarHBondContact CA-O 3.43Å; R229-R256 PolarHBondContact N-O 2.78Å; S254-R256 PolarHBondContact O-N 3.37Å; R256-V261 HydrophobicContact CB-CG2 3.58Å; R256-E264 IonicContact CZ-OE2 3.15Å; R256-E264 IonicContact NH1-OE2 2.66Å; R256-E264 PolarHBondContact NH1-OE2 3Å; R256-E264 IonicContact NH2-OE2 2.99Å; R256-E264 PolarHBondContact NH2-OE2 2.84Å
257	P	96.9	Very high	95.6	Very high	45 Å²	45	72.4 Å²	72.4	29%	0.292	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	143.1	176.6	28.9	-35.5	0	0	0	111	N259 D260 V261	P257-N259 VanDerWaalsContact C-N 3.27Å; P257-N259 PolarHBondContact O-N 3Å; P257-D260 HydrophobicContact CG-CB 4.13Å; P257-D260 WeakPolarHBondContact CG-OD2 3.3Å; P257-D260 PolarHBondContact O-N 2.84Å; P257-D260 VanDerWaalsContact O-N 3.15Å; P257-V261 PolarHBondContact O-N 3.4Å
258	F	97.1	Very high	95.7	Very high	17 Å²	17	66.4 Å²	66.4	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-49	-45.5	-177.3	178.5	-96.7	0	0	0	113.5	L210 V228 E231 D260 V261 H262 R287	L210-F258 HydrophobicContact CB-CD2 4.27Å; L210-F258 HydrophobicContact CB-CE2 4.17Å; L210-F258 HydrophobicContact CD2-CD2 4.21Å; L210-F258 HydrophobicContact CD2-CE2 4.04Å; V228-F258 HydrophobicContact CG1-CB 4.09Å; V228-F258 HydrophobicContact CG1-CD2 4.05Å; E231-F258 HydrophobicContact CG-CB 4.19Å; F258-D260 VanDerWaalsContact C-N 3.32Å; F258-D260 PolarHBondContact O-N 3.48Å; F258-V261 PolarHBondContact O-N 3.33Å; F258-H262 HydrophobicContact CE1-CB 4.25Å; F258-H262 WeakPolarHBondContact O-CB 3.32Å; F258-H262 PolarHBondContact O-N 3.42Å; F258-R287 HydrophobicContact CZ-CG 4.44Å
259	N	96.7	Very high	95.8	Very high	88 Å²	88	65.6 Å²	65.6	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-34.3	-176	-72.5	-29.7	0	0	0	114.2	P257 K263	P257-N259 VanDerWaalsContact C-N 3.27Å; P257-N259 PolarHBondContact O-N 3Å; N259-K263 WeakPolarHBondContact O-CG 3.39Å; N259-K263 PolarHBondContact O-N 3.25Å
260	D	97.2	Very high	95.8	Very high	78 Å²	78	70 Å²	70	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-74.6	-44.6	179.5	-67.6	-14.2	0	0	0	110.7	P257 F258 H262 K263 E264	P257-D260 HydrophobicContact CG-CB 4.13Å; P257-D260 WeakPolarHBondContact CG-OD2 3.3Å; P257-D260 PolarHBondContact O-N 2.84Å; P257-D260 VanDerWaalsContact O-N 3.15Å; F258-D260 VanDerWaalsContact C-N 3.32Å; F258-D260 PolarHBondContact O-N 3.48Å; D260-H262 VanDerWaalsContact C-N 3.32Å; D260-H262 PolarHBondContact O-N 3.39Å; D260-K263 PolarHBondContact O-N 2.95Å; D260-E264 PolarHBondContact O-N 3.02Å; D260-E264 VanDerWaalsContact O-N 3.17Å
261	V	97.9	Very high	96	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-40.6	176.9	-179.1	0	0	0	0	110.5	V213 T226 V228 R256 P257 F258 K263 E264 V265	V213-V261 HydrophobicContact CG1-CG1 3.55Å; T226-V261 HydrophobicContact CG2-CB 4.47Å; T226-V261 HydrophobicContact CG2-CG1 3.72Å; T226-V261 HydrophobicContact CG2-CG2 3.86Å; V228-V261 HydrophobicContact CG1-CB 4.5Å; V228-V261 HydrophobicContact CG1-CG2 4.48Å; V228-V261 HydrophobicContact CG2-CB 4.23Å; V228-V261 HydrophobicContact CG2-CG1 3.83Å; V228-V261 HydrophobicContact CG2-CG2 4.13Å; R256-V261 HydrophobicContact CB-CG2 3.58Å; P257-V261 PolarHBondContact O-N 3.4Å; F258-V261 PolarHBondContact O-N 3.33Å; V261-K263 PolarHBondContact O-N 3.39Å; V261-E264 PolarHBondContact O-N 3.14Å; V261-V265 HydrophobicContact CG1-CG2 4.01Å; V261-V265 WeakPolarHBondContact O-CB 3.42Å; V261-V265 VanDerWaalsContact O-CG2 3.25Å; V261-V265 WeakPolarHBondContact O-CG2 3.2Å; V261-V265 PolarHBondContact O-N 2.92Å
262	H	98	Very high	96.5	Very high	46 Å²	46	62.8 Å²	62.8	21%	0.213	33%	0.331	C	S	.	.	H	α-helix	trans	-55.1	-50.1	175.7	173.8	-81.1	0	0	0	112	F258 D260 E264 V265 A266 L286 L288	F258-H262 HydrophobicContact CE1-CB 4.25Å; F258-H262 WeakPolarHBondContact O-CB 3.32Å; F258-H262 PolarHBondContact O-N 3.42Å; D260-H262 VanDerWaalsContact C-N 3.32Å; D260-H262 PolarHBondContact O-N 3.39Å; H262-E264 VanDerWaalsContact C-N 3.34Å; H262-E264 PolarHBondContact O-N 3.17Å; H262-V265 PolarHBondContact O-N 2.99Å; H262-A266 VanDerWaalsContact O-CB 3.28Å; H262-A266 WeakPolarHBondContact O-CB 3.31Å; H262-A266 PolarHBondContact O-N 3.37Å; H262-L286 PolarHBondContact CD2-O 2.76Å; H262-L286 PolarHBondContact NE2-O 3.36Å; H262-L288 WeakPolarHBondContact NE2-CD2 3.33Å
263	K	98.1	Very high	96.9	Very high	142 Å²	142	55.2 Å²	55.2	62%	0.617	29%	0.29	S	S	*	.	H	α-helix	trans	-60.8	-43.7	178.9	-71.8	171.1	-174.9	172.9	0	111.6	N259 D260 V261 A266 E267	N259-K263 WeakPolarHBondContact O-CG 3.39Å; N259-K263 PolarHBondContact O-N 3.25Å; D260-K263 PolarHBondContact O-N 2.95Å; V261-K263 PolarHBondContact O-N 3.39Å; K263-A266 PolarHBondContact O-N 3.16Å; K263-E267 PolarHBondContact O-N 3.37Å; K263-E267 VanDerWaalsContact O-N 3.08Å
264	E	98.1	Very high	97.3	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-46.3	179.6	-173.6	174.9	-179.1	0	0	112.2	R256 D260 V261 H262 A266 E267 L268	R256-E264 IonicContact CZ-OE2 3.15Å; R256-E264 IonicContact NH1-OE2 2.66Å; R256-E264 PolarHBondContact NH1-OE2 3Å; R256-E264 IonicContact NH2-OE2 2.99Å; R256-E264 PolarHBondContact NH2-OE2 2.84Å; D260-E264 PolarHBondContact O-N 3.02Å; D260-E264 VanDerWaalsContact O-N 3.17Å; V261-E264 PolarHBondContact O-N 3.14Å; H262-E264 VanDerWaalsContact C-N 3.34Å; H262-E264 PolarHBondContact O-N 3.17Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 2.95Å; E264-E267 PolarHBondContact O-N 3.16Å; E264-L268 VanDerWaalsContact O-CB 3.25Å; E264-L268 WeakPolarHBondContact O-CB 3.34Å; E264-L268 PolarHBondContact O-N 3.12Å
265	V	98.4	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-45.9	175.2	173.8	0	0	0	0	110.1	M194 V213 I215 L224 V261 H262 E267 L268 I269 L286 L288	M194-V265 HydrophobicContact SD-CG1 3.98Å; V213-V265 HydrophobicContact CG1-CG2 4.15Å; V213-V265 HydrophobicContact CG2-CG2 4.18Å; I215-V265 HydrophobicContact CD1-CG1 4.13Å; I215-V265 HydrophobicContact CD1-CG2 4.24Å; L224-V265 HydrophobicContact CD2-CG2 3.59Å; V261-V265 HydrophobicContact CG1-CG2 4.01Å; V261-V265 WeakPolarHBondContact O-CB 3.42Å; V261-V265 VanDerWaalsContact O-CG2 3.25Å; V261-V265 WeakPolarHBondContact O-CG2 3.2Å; V261-V265 PolarHBondContact O-N 2.92Å; H262-V265 PolarHBondContact O-N 2.99Å; V265-E267 PolarHBondContact O-N 3.43Å; V265-L268 PolarHBondContact O-N 2.73Å; V265-I269 HydrophobicContact CG1-CG2 4.19Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 WeakPolarHBondContact O-CG2 3.38Å; V265-I269 PolarHBondContact O-N 3.07Å; V265-L286 HydrophobicContact CG1-CD1 4.24Å; V265-L286 HydrophobicContact CG1-CD2 4.33Å; V265-L288 HydrophobicContact CB-CD1 4.27Å; V265-L288 HydrophobicContact CG1-CD1 3.65Å
266	A	98.2	Very high	97.7	Very high	31 Å²	31	49.1 Å²	49.1	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-47	179.7	0	0	0	0	0	112.4	H262 K263 E264 K270 L288	H262-A266 VanDerWaalsContact O-CB 3.28Å; H262-A266 WeakPolarHBondContact O-CB 3.31Å; H262-A266 PolarHBondContact O-N 3.37Å; K263-A266 PolarHBondContact O-N 3.16Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 2.95Å; A266-K270 PolarHBondContact O-N 3.39Å; A266-L288 HydrophobicContact CB-CD1 4.4Å; A266-L288 HydrophobicContact CB-CD2 3.77Å
267	E	97.9	Very high	97.8	Very high	115 Å²	115	46.3 Å²	46.3	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-69.5	-38.3	178.9	-170.6	55.2	-145.4	0	0	111.4	K263 E264 V265 I269 K270	K263-E267 PolarHBondContact O-N 3.37Å; K263-E267 VanDerWaalsContact O-N 3.08Å; E264-E267 PolarHBondContact O-N 3.16Å; V265-E267 PolarHBondContact O-N 3.43Å; E267-I269 PolarHBondContact O-N 2.95Å; E267-K270 VanDerWaalsContact O-CB 3.3Å; E267-K270 WeakPolarHBondContact O-CB 3.49Å; E267-K270 PolarHBondContact O-N 3.43Å; E267-K270 IonicContact OE1-NZ 3Å; E267-K270 VanDerWaalsContact OE2-CD 3.31Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 IonicContact OE2-NZ 2.63Å; E267-K270 PolarHBondContact OE2-NZ 3.03Å
268	L	97.6	Very high	97.8	Very high	28 Å²	28	46.5 Å²	46.5	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.7	-162	159.3	0	0	0	111.9	I192 I215 L223 L224 E264 V265 K272	I192-L268 HydrophobicContact CD1-CD2 3.75Å; I192-L268 HydrophobicContact CG2-CD2 4.46Å; I215-L268 HydrophobicContact CB-CD2 4.34Å; I215-L268 HydrophobicContact CD1-CD1 4.37Å; I215-L268 HydrophobicContact CD1-CD2 3.95Å; I215-L268 HydrophobicContact CG2-CD2 3.57Å; L223-L268 HydrophobicContact CB-CD1 4.06Å; L223-L268 HydrophobicContact CD1-CD2 4.11Å; L224-L268 HydrophobicContact CB-CD1 4.2Å; E264-L268 VanDerWaalsContact O-CB 3.25Å; E264-L268 WeakPolarHBondContact O-CB 3.34Å; E264-L268 PolarHBondContact O-N 3.12Å; V265-L268 PolarHBondContact O-N 2.73Å; L268-K272 WeakPolarHBondContact O-CD 3.48Å; L268-K272 WeakPolarHBondContact O-CE 3.41Å
269	I	97.8	Very high	97.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-81.3	-18.2	178.9	72.4	176.3	0	0	0	113.9	I192 M194 I215 V265 E267 N271 K272 L274 L283 L288 H290	I192-I269 HydrophobicContact CD1-CB 4.03Å; I192-I269 HydrophobicContact CD1-CG2 3.67Å; M194-I269 HydrophobicContact SD-CG2 4.48Å; I215-I269 HydrophobicContact CD1-CG2 4.35Å; V265-I269 HydrophobicContact CG1-CG2 4.19Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 WeakPolarHBondContact O-CG2 3.38Å; V265-I269 PolarHBondContact O-N 3.07Å; E267-I269 PolarHBondContact O-N 2.95Å; I269-N271 PolarHBondContact O-N 3.19Å; I269-K272 PolarHBondContact O-N 3.36Å; I269-K272 VanDerWaalsContact O-N 3.12Å; I269-L274 HydrophobicContact CG2-CD1 4.24Å; I269-L283 HydrophobicContact CD1-CD2 4.42Å; I269-L288 HydrophobicContact CD1-CD1 3.96Å; I269-H290 PolarHBondContact O-CE1 3.4Å; I269-H290 VanDerWaalsContact O-CE1 3.25Å
270	K	97.2	Very high	97.8	Very high	107 Å²	107	46.8 Å²	46.8	47%	0.465	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130.3	-175.9	-168.3	177.9	-178.1	-179.6	0	112.5	A266 E267 K272	A266-K270 PolarHBondContact O-N 3.39Å; E267-K270 VanDerWaalsContact O-CB 3.3Å; E267-K270 WeakPolarHBondContact O-CB 3.49Å; E267-K270 PolarHBondContact O-N 3.43Å; E267-K270 IonicContact OE1-NZ 3Å; E267-K270 VanDerWaalsContact OE2-CD 3.31Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 IonicContact OE2-NZ 2.63Å; E267-K270 PolarHBondContact OE2-NZ 3.03Å; K270-K272 WeakPolarHBondContact O-CG 3.39Å; K270-K272 PolarHBondContact O-N 3.09Å
271	N	96.4	Very high	97.8	Very high	128 Å²	128	47.6 Å²	47.6	68%	0.684	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	16.1	179.5	-64.2	-38.2	0	0	0	115.8	I269	I269-N271 PolarHBondContact O-N 3.19Å
272	K	97.8	Very high	97.8	Very high	48 Å²	48	48 Å²	48	21%	0.209	24%	0.237	C	C	.	.	S	Bend	trans	-105.3	159.4	177.4	-63.2	-179.4	-150.5	-70.1	0	111.7	T189 I192 L268 I269 K270 L274 H290 F294	T189-K272 WeakPolarHBondContact O-CD 3.46Å; I192-K272 HydrophobicContact CD1-CB 4.36Å; I192-K272 HydrophobicContact CD1-CD 4.19Å; I192-K272 HydrophobicContact CG1-CB 4.22Å; I192-K272 HydrophobicContact CG1-CD 4.42Å; I192-K272 HydrophobicContact CG2-CD 3.91Å; L268-K272 WeakPolarHBondContact O-CD 3.48Å; L268-K272 WeakPolarHBondContact O-CE 3.41Å; I269-K272 PolarHBondContact O-N 3.36Å; I269-K272 VanDerWaalsContact O-N 3.12Å; K270-K272 WeakPolarHBondContact O-CG 3.39Å; K270-K272 PolarHBondContact O-N 3.09Å; K272-L274 PolarHBondContact O-N 3.34Å; K272-H290 PolarHBondContact O-CE1 2.92Å; K272-H290 VanDerWaalsContact O-CE1 3.26Å; K272-H290 PolarHBondContact O-NE2 3.48Å; K272-F294 WeakPolarHBondContact O-CB 3.31Å
273	I	98	Very high	97.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	116	167.3	-68.4	177.2	0	0	0	107.3	R190 R191 I192 V275 F294 R296	R190-I273 VanDerWaalsContact NH1-CD1 3.32Å; R190-I273 PolarHBondContact O-N 3.29Å; R191-I273 WeakPolarHBondContact CA-O 3.41Å; R191-I273 HydrophobicContact CB-CB 4.35Å; R191-I273 HydrophobicContact CG-CB 3.79Å; R191-I273 HydrophobicContact CG-CD1 4.01Å; R191-I273 HydrophobicContact CG-CG1 4.39Å; R191-I273 HydrophobicContact CG-CG2 4.08Å; I192-I273 PolarHBondContact N-O 3.03Å; I273-V275 HydrophobicContact CG2-CG2 4.31Å; I273-F294 CarbonylContact C-O 3.28Å; I273-F294 WeakPolarHBondContact CA-O 3.06Å; I273-R296 HydrophobicContact CG2-CG 4.05Å
274	L	98.6	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	177.6	-175.9	62.4	0	0	0	109.2	I192 M194 I269 K272 I279 L283 H290 F294 I295 R296	I192-L274 HydrophobicContact CD1-CD1 4.13Å; I192-L274 HydrophobicContact CG1-CD1 4.13Å; M194-L274 HydrophobicContact CB-CD1 3.83Å; M194-L274 HydrophobicContact CE-CD2 4.37Å; I269-L274 HydrophobicContact CG2-CD1 4.24Å; K272-L274 PolarHBondContact O-N 3.34Å; L274-I279 HydrophobicContact CD2-CD1 4.37Å; L274-I279 HydrophobicContact CD2-CG1 3.99Å; L274-I279 HydrophobicContact CG-CG1 4.28Å; L274-L283 HydrophobicContact CD2-CD1 4.23Å; L274-L283 HydrophobicContact CD2-CD2 3.99Å; L274-L283 HydrophobicContact CD2-CG 4.43Å; L274-H290 VanDerWaalsContact CB-CD2 3.46Å; L274-H290 WeakPolarHBondContact CB-CD2 3.42Å; L274-H290 HydrophobicContact CD2-CB 4.35Å; L274-F294 PolarHBondContact N-O 3.26Å; L274-I295 CarbonylContact O-C 3.58Å; L274-I295 WeakPolarHBondContact O-CA 3.43Å; L274-R296 PolarHBondContact O-N 3.4Å
275	V	98.6	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.3	174.9	-169.3	0	0	0	0	107.7	I192 A193 M194 I273 R296 T298 T341 M342 Y345	I192-V275 WeakPolarHBondContact O-CB 3.45Å; I192-V275 WeakPolarHBondContact O-CG2 3.46Å; I192-V275 PolarHBondContact O-N 3.43Å; A193-V275 WeakPolarHBondContact CA-O 3.36Å; A193-V275 HydrophobicContact CB-CB 4.08Å; M194-V275 PolarHBondContact N-O 3.27Å; M194-V275 VanDerWaalsContact N-O 3.16Å; I273-V275 HydrophobicContact CG2-CG2 4.31Å; V275-R296 WeakPolarHBondContact CA-O 3.49Å; V275-R296 HydrophobicContact CB-CB 4.38Å; V275-R296 HydrophobicContact CG1-CB 4.27Å; V275-R296 HydrophobicContact CG2-CB 4.07Å; V275-T298 HydrophobicContact CG1-CG2 4.2Å; V275-T341 HydrophobicContact CG1-CG2 3.86Å; V275-M342 HydrophobicContact CB-CE 4.38Å; V275-M342 HydrophobicContact CG2-CE 4.06Å; V275-M342 HydrophobicContact CG2-SD 4.36Å; V275-Y345 VanDerWaalsContact CG1-CB 3.47Å; V275-Y345 HydrophobicContact CG1-CD1 4.21Å; V275-Y345 HydrophobicContact CG1-CG 3.89Å; V275-Y345 HydrophobicContact CG2-CD1 3.5Å; V275-Y345 VanDerWaalsContact CG2-CD1 3.5Å; V275-Y345 HydrophobicContact CG2-CE1 3.76Å; V275-Y345 HydrophobicContact CG2-CG 3.88Å
276	G	98.5	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	175.4	177.8	0	0	0	0	0	111.4	R296 D297 T298	G276-R296 PolarHBondContact N-O 3.46Å; G276-R296 VanDerWaalsContact N-O 3.14Å; G276-D297 WeakPolarHBondContact O-CA 3.48Å; G276-T298 PolarHBondContact O-N 3.15Å; G276-T298 PolarHBondContact O-OG1 3.06Å
277	H	98.4	Very high	97.6	Very high	22 Å²	22	51.1 Å²	51.1	10%	0.102	24%	0.241	C	C	.	.	S	Bend	trans	-120.1	107.4	171.6	-163.8	91.8	0	0	0	108	I279 T298 P313 L315 T341	H277-I279 PolarHBondContact O-N 3.05Å; H277-T298 WeakPolarHBondContact CB-OG1 3.39Å; H277-T298 PolarHBondContact ND1-OG1 2.89Å; H277-P313 PolarHBondContact CE1-O 3.39Å; H277-P313 PolarHBondContact NE2-O 3.02Å; H277-L315 HydrophobicContact CB-CD1 4.24Å; H277-L315 PolarHBondContact NE2-N 3.46Å; H277-T341 HydrophobicContact CB-CG2 4.46Å
278	S	97.2	Very high	97.6	Very high	49 Å²	49	47 Å²	47	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	62.7	27.9	-171.3	-58.4	0	0	0	0	115.1	L280 K281 D297 S299	S278-L280 PolarHBondContact O-N 3.42Å; S278-K281 PolarHBondContact O-N 3.04Å; S278-K281 VanDerWaalsContact O-N 3.15Å; S278-D297 PolarHBondContact N-OD1 2.93Å; S278-S299 PolarHBondContact N-OG 2.74Å; S278-S299 WeakPolarHBondContact OG-CB 3.25Å; S278-S299 PolarHBondContact OG-OG 2.88Å
279	I	97.4	Very high	97.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-16.1	-175.9	-160.3	57.4	0	0	0	117.5	M194 L274 H277 K281 D282 L283 I295 D297	M194-I279 HydrophobicContact CB-CD1 4.35Å; M194-I279 HydrophobicContact CE-CD1 3.68Å; L274-I279 HydrophobicContact CD2-CD1 4.37Å; L274-I279 HydrophobicContact CD2-CG1 3.99Å; L274-I279 HydrophobicContact CG-CG1 4.28Å; H277-I279 PolarHBondContact O-N 3.05Å; I279-K281 VanDerWaalsContact C-N 3.3Å; I279-D282 VanDerWaalsContact CA-OD2 3.23Å; I279-D282 WeakPolarHBondContact CA-OD2 3.2Å; I279-D282 HydrophobicContact CD1-CB 4.07Å; I279-L283 HydrophobicContact CG1-CD1 4.3Å; I279-L283 HydrophobicContact CG1-CG 4.34Å; I279-L283 WeakPolarHBondContact O-CB 3.36Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3.35Å; I279-I295 HydrophobicContact CG2-CG2 3.8Å; I279-D297 HydrophobicContact CG2-CB 4.14Å
280	L	96.9	Very high	97.5	Very high	108 Å²	108	52 Å²	52	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-34.5	179.3	-176.3	63.9	0	0	0	111.5	S278 K284	S278-L280 PolarHBondContact O-N 3.42Å; L280-K284 WeakPolarHBondContact O-CB 3.27Å; L280-K284 PolarHBondContact O-N 3.24Å; L280-K284 VanDerWaalsContact O-N 3.08Å
281	K	96.3	Very high	97.5	Very high	95 Å²	95	49.3 Å²	49.3	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-48.6	176.7	-175.2	179.6	176.8	177.1	0	109.8	F198 D208 S278 I279 L283 K284 V285	F198-K281 HydrophobicContact CD2-CD 4.28Å; F198-K281 HydrophobicContact CE2-CD 3.82Å; F198-K281 HydrophobicContact CE2-CG 3.95Å; D208-K281 VanDerWaalsContact CG-NZ 3.28Å; D208-K281 IonicContact OD1-NZ 3.47Å; D208-K281 PolarHBondContact OD1-NZ 3.02Å; D208-K281 WeakPolarHBondContact OD2-CE 3.23Å; D208-K281 IonicContact OD2-NZ 3.35Å; D208-K281 PolarHBondContact OD2-NZ 3.47Å; S278-K281 PolarHBondContact O-N 3.04Å; S278-K281 VanDerWaalsContact O-N 3.15Å; I279-K281 VanDerWaalsContact C-N 3.3Å; K281-L283 PolarHBondContact O-N 3.4Å; K281-K284 WeakPolarHBondContact O-CB 3.48Å; K281-K284 PolarHBondContact O-N 3Å; K281-K284 VanDerWaalsContact O-N 3.12Å; K281-V285 PolarHBondContact O-N 3.37Å
282	D	97.9	Very high	97.5	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-51	177.6	-48.3	-108.8	0	0	0	112	M194 C196 F198 I279 K284 V285 L286	M194-D282 HydrophobicContact CE-CB 4.15Å; C196-D282 HydrophobicContact CB-CB 4.4Å; C196-D282 WeakPolarHBondContact CB-OD1 3.23Å; C196-D282 PolarHBondContact N-OD1 2.75Å; F198-D282 HydrophobicContact CZ-CB 4.4Å; I279-D282 VanDerWaalsContact CA-OD2 3.23Å; I279-D282 WeakPolarHBondContact CA-OD2 3.2Å; I279-D282 HydrophobicContact CD1-CB 4.07Å; D282-K284 VanDerWaalsContact C-N 3.27Å; D282-K284 PolarHBondContact O-N 3.42Å; D282-V285 PolarHBondContact O-N 3.34Å; D282-L286 VanDerWaalsContact O-CB 3.29Å; D282-L286 WeakPolarHBondContact O-CB 3.41Å; D282-L286 WeakPolarHBondContact O-CG 3.4Å; D282-L286 PolarHBondContact O-N 2.99Å
283	L	98.1	Very high	97.3	Very high	8 Å²	8	60 Å²	60	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-35.2	178.4	-72.2	173.5	0	0	0	112.4	M194 I269 L274 I279 K281 R287 L288 H290 I295	M194-L283 HydrophobicContact CE-CD2 4.09Å; I269-L283 HydrophobicContact CD1-CD2 4.42Å; L274-L283 HydrophobicContact CD2-CD1 4.23Å; L274-L283 HydrophobicContact CD2-CD2 3.99Å; L274-L283 HydrophobicContact CD2-CG 4.43Å; I279-L283 HydrophobicContact CG1-CD1 4.3Å; I279-L283 HydrophobicContact CG1-CG 4.34Å; I279-L283 WeakPolarHBondContact O-CB 3.36Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3.35Å; K281-L283 PolarHBondContact O-N 3.4Å; L283-R287 PolarHBondContact O-N 3.08Å; L283-R287 VanDerWaalsContact O-N 3.14Å; L283-L288 HydrophobicContact CD2-CB 4.15Å; L283-L288 PolarHBondContact O-N 2.83Å; L283-H290 HydrophobicContact CD1-CB 4.2Å; L283-I295 HydrophobicContact CD1-CD1 4.18Å
284	K	97.7	Very high	97.2	Very high	173 Å²	173	62.3 Å²	62.3	75%	0.752	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-49.3	176.3	-176.6	-175.6	175.4	-170.3	0	111.1	L280 K281 D282 L286 R287	L280-K284 WeakPolarHBondContact O-CB 3.27Å; L280-K284 PolarHBondContact O-N 3.24Å; L280-K284 VanDerWaalsContact O-N 3.08Å; K281-K284 WeakPolarHBondContact O-CB 3.48Å; K281-K284 PolarHBondContact O-N 3Å; K281-K284 VanDerWaalsContact O-N 3.12Å; D282-K284 VanDerWaalsContact C-N 3.27Å; D282-K284 PolarHBondContact O-N 3.42Å; K284-L286 VanDerWaalsContact C-N 3.35Å; K284-R287 PolarHBondContact O-N 2.74Å
285	V	97.2	Very high	97.2	Very high	22 Å²	22	64 Å²	64	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-38.9	179.7	178.2	0	0	0	0	111.1	F198 D208 L210 K281 D282 R287	F198-V285 HydrophobicContact CD1-CB 4.28Å; F198-V285 HydrophobicContact CD1-CG1 3.86Å; F198-V285 HydrophobicContact CD1-CG2 4.26Å; F198-V285 HydrophobicContact CE1-CB 3.85Å; F198-V285 HydrophobicContact CE1-CG1 3.83Å; F198-V285 HydrophobicContact CE1-CG2 4.01Å; F198-V285 HydrophobicContact CZ-CB 4.35Å; F198-V285 HydrophobicContact CZ-CG2 4.19Å; D208-V285 HydrophobicContact CB-CG2 3.72Å; L210-V285 HydrophobicContact CB-CG1 4.03Å; K281-V285 PolarHBondContact O-N 3.37Å; D282-V285 PolarHBondContact O-N 3.34Å; V285-R287 PolarHBondContact O-N 3.15Å
286	L	97.3	Very high	97.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.5	172.6	-81.5	162.2	0	0	0	113.7	M194 L210 H262 V265 D282 K284 L288	M194-L286 HydrophobicContact CE-CD1 3.52Å; M194-L286 HydrophobicContact SD-CD1 3.77Å; L210-L286 HydrophobicContact CD2-CD2 3.45Å; L210-L286 VanDerWaalsContact CD2-CD2 3.45Å; L210-L286 HydrophobicContact CD2-CG 4.21Å; H262-L286 PolarHBondContact CD2-O 2.76Å; H262-L286 PolarHBondContact NE2-O 3.36Å; V265-L286 HydrophobicContact CG1-CD1 4.24Å; V265-L286 HydrophobicContact CG1-CD2 4.33Å; D282-L286 VanDerWaalsContact O-CB 3.29Å; D282-L286 WeakPolarHBondContact O-CB 3.41Å; D282-L286 WeakPolarHBondContact O-CG 3.4Å; D282-L286 PolarHBondContact O-N 2.99Å; K284-L286 VanDerWaalsContact C-N 3.35Å; L286-L288 HydrophobicContact CB-CB 4.32Å; L286-L288 HydrophobicContact CB-CD1 4.12Å; L286-L288 HydrophobicContact CB-CG 4.14Å; L286-L288 PolarHBondContact O-N 3.27Å
287	R	97.1	Very high	97.1	Very high	154 Å²	154	65.3 Å²	65.3	58%	0.581	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.6	-174.2	-52.1	177.8	-177.9	153.4	3.2	113.1	E231 F258 L283 K284 V285	E231-R287 IonicContact OE1-NH1 2.92Å; E231-R287 IonicContact OE2-CZ 3.59Å; E231-R287 IonicContact OE2-NH1 2.64Å; E231-R287 PolarHBondContact OE2-NH1 3.14Å; E231-R287 IonicContact OE2-NH2 3.7Å; E231-R287 PolarHBondContact OE2-NH2 2.78Å; F258-R287 HydrophobicContact CZ-CG 4.44Å; L283-R287 PolarHBondContact O-N 3.08Å; L283-R287 VanDerWaalsContact O-N 3.14Å; K284-R287 PolarHBondContact O-N 2.74Å; V285-R287 PolarHBondContact O-N 3.15Å
288	L	97.7	Very high	97.1	Very high	29 Å²	29	64.2 Å²	64.2	15%	0.152	30%	0.301	C	S	.	.			trans	-110.2	149	-178.2	-69.9	176.3	0	0	0	112.2	H262 V265 A266 I269 L283 L286	H262-L288 WeakPolarHBondContact NE2-CD2 3.33Å; V265-L288 HydrophobicContact CB-CD1 4.27Å; V265-L288 HydrophobicContact CG1-CD1 3.65Å; A266-L288 HydrophobicContact CB-CD1 4.4Å; A266-L288 HydrophobicContact CB-CD2 3.77Å; I269-L288 HydrophobicContact CD1-CD1 3.96Å; L283-L288 HydrophobicContact CD2-CB 4.15Å; L283-L288 PolarHBondContact O-N 2.83Å; L286-L288 HydrophobicContact CB-CB 4.32Å; L286-L288 HydrophobicContact CB-CD1 4.12Å; L286-L288 HydrophobicContact CB-CG 4.14Å; L286-L288 PolarHBondContact O-N 3.27Å
289	S	96.5	Very high	97.1	Very high	116 Å²	116	62 Å²	62	81%	0.811	29%	0.285	S	S	*	.			trans	-116.9	139.5	170.7	72.9	0	0	0	0	110.7
290	H	97.5	Very high	97	Very high	20 Å²	20	68.3 Å²	68.3	9%	0.093	31%	0.308	C	S	.	.			trans	-127.1	136.2	176.4	-159.8	56.9	0	0	0	110.7	I269 K272 L274 L283 R292 F294 I295	I269-H290 PolarHBondContact O-CE1 3.4Å; I269-H290 VanDerWaalsContact O-CE1 3.25Å; K272-H290 PolarHBondContact O-CE1 2.92Å; K272-H290 VanDerWaalsContact O-CE1 3.26Å; K272-H290 PolarHBondContact O-NE2 3.48Å; L274-H290 VanDerWaalsContact CB-CD2 3.46Å; L274-H290 WeakPolarHBondContact CB-CD2 3.42Å; L274-H290 HydrophobicContact CD2-CB 4.35Å; L283-H290 HydrophobicContact CD1-CB 4.2Å; H290-R292 PolarHBondContact O-N 2.92Å; H290-F294 WeakPolarHBondContact NE2-CB 3.43Å; H290-I295 HydrophobicContact CB-CD1 4.21Å; H290-I295 HydrophobicContact CB-CG1 4.15Å; H290-I295 WeakPolarHBondContact O-CD1 3.48Å
291	P	96.8	Very high	97	Very high	52 Å²	52	64.1 Å²	64.1	34%	0.338	29%	0.285	S	S	.	.			trans	-55.6	127.7	-178.5	-27.6	35.3	0	0	0	112	R293 F294 I295	P291-R293 HydrophobicContact CB-CG 4.1Å; P291-R293 PolarHBondContact O-N 3.02Å; P291-F294 HydrophobicContact CB-CD2 4.08Å; P291-F294 HydrophobicContact CG-CD2 4.14Å; P291-F294 WeakPolarHBondContact O-CA 3.49Å; P291-F294 WeakPolarHBondContact O-CB 3.22Å; P291-F294 PolarHBondContact O-N 2.97Å; P291-I295 PolarHBondContact O-N 3.27Å
292	R	94.9	Very high	96.9	Very high	229 Å²	229	67.1 Å²	67.1	86%	0.864	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.8	-178.8	-81.8	-175.2	151.1	145.2	-2.6	114.3	H290 F294 I295	H290-R292 PolarHBondContact O-N 2.92Å; R292-F294 PolarHBondContact O-N 3.47Å; R292-I295 PolarHBondContact O-N 2.84Å
293	R	94.3	Very high	96.8	Very high	172 Å²	172	68.6 Å²	68.6	65%	0.649	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.7	175	64.6	177	-178.9	-94.4	-0.2	113.7	P291 R296	P291-R293 HydrophobicContact CB-CG 4.1Å; P291-R293 PolarHBondContact O-N 3.02Å; R293-R296 PolarHBondContact O-NH1 2.84Å
294	F	96.6	Very high	96.8	Very high	48 Å²	48	68.5 Å²	68.5	21%	0.211	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-12.1	-179.2	-66.8	-24.4	0	0	0	114	K272 I273 L274 H290 P291 R292 R296	K272-F294 WeakPolarHBondContact O-CB 3.31Å; I273-F294 CarbonylContact C-O 3.28Å; I273-F294 WeakPolarHBondContact CA-O 3.06Å; L274-F294 PolarHBondContact N-O 3.26Å; H290-F294 WeakPolarHBondContact NE2-CB 3.43Å; P291-F294 HydrophobicContact CB-CD2 4.08Å; P291-F294 HydrophobicContact CG-CD2 4.14Å; P291-F294 WeakPolarHBondContact O-CA 3.49Å; P291-F294 WeakPolarHBondContact O-CB 3.22Å; P291-F294 PolarHBondContact O-N 2.97Å; R292-F294 PolarHBondContact O-N 3.47Å; F294-R296 PolarHBondContact O-NH1 3.37Å
295	I	97.8	Very high	96.7	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.185	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.4	176.5	-61.9	174.2	0	0	0	112.6	L274 I279 L283 H290 P291 R292 D297	L274-I295 CarbonylContact O-C 3.58Å; L274-I295 WeakPolarHBondContact O-CA 3.43Å; I279-I295 HydrophobicContact CG2-CG2 3.8Å; L283-I295 HydrophobicContact CD1-CD1 4.18Å; H290-I295 HydrophobicContact CB-CD1 4.21Å; H290-I295 HydrophobicContact CB-CG1 4.15Å; H290-I295 WeakPolarHBondContact O-CD1 3.48Å; P291-I295 PolarHBondContact O-N 3.27Å; R292-I295 PolarHBondContact O-N 2.84Å; I295-D297 HydrophobicContact CG2-CB 4.26Å
296	R	97.8	Very high	96.7	Very high	13 Å²	13	67.5 Å²	67.5	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	83.7	171.2	-83.8	49.9	166.7	-171.6	15.4	108.7	I273 L274 V275 G276 R293 F294 Y345 W352 E353	I273-R296 HydrophobicContact CG2-CG 4.05Å; L274-R296 PolarHBondContact O-N 3.4Å; V275-R296 WeakPolarHBondContact CA-O 3.49Å; V275-R296 HydrophobicContact CB-CB 4.38Å; V275-R296 HydrophobicContact CG1-CB 4.27Å; V275-R296 HydrophobicContact CG2-CB 4.07Å; G276-R296 PolarHBondContact N-O 3.46Å; G276-R296 VanDerWaalsContact N-O 3.14Å; R293-R296 PolarHBondContact O-NH1 2.84Å; F294-R296 PolarHBondContact O-NH1 3.37Å; R296-Y345 HydrophobicContact CB-CD2 4.21Å; R296-Y345 HydrophobicContact CB-CE2 4.29Å; R296-Y345 HydrophobicContact CG-CD2 3.91Å; R296-Y345 HydrophobicContact CG-CE2 3.52Å; R296-W352 HydrophobicContact CB-CH2 3.93Å; R296-W352 HydrophobicContact CB-CZ2 3.8Å; R296-W352 HydrophobicContact CG-CD2 4.44Å; R296-W352 HydrophobicContact CG-CH2 4.38Å; R296-W352 HydrophobicContact CG-CZ2 3.93Å; R296-E353 IonicContact CZ-OE1 3.3Å; R296-E353 VanDerWaalsContact CZ-OE1 3.3Å; R296-E353 IonicContact CZ-OE2 3.86Å; R296-E353 IonicContact NE-OE1 2.78Å; R296-E353 PolarHBondContact NE-OE1 3.02Å; R296-E353 IonicContact NH2-OE1 3.03Å; R296-E353 PolarHBondContact NH2-OE1 3.46Å; R296-E353 IonicContact NH2-OE2 2.93Å; R296-E353 PolarHBondContact NH2-OE2 3.39Å
297	D	98.1	Very high	96.6	Very high	14 Å²	14	70.3 Å²	70.3	8%	0.075	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.8	177.1	-173	-8.3	0	0	0	110.2	G276 S278 I279 I295 S299 R300 Y301 W352	G276-D297 WeakPolarHBondContact O-CA 3.48Å; S278-D297 PolarHBondContact N-OD1 2.93Å; I279-D297 HydrophobicContact CG2-CB 4.14Å; I295-D297 HydrophobicContact CG2-CB 4.26Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 VanDerWaalsContact OD1-N 3.16Å; D297-S299 PolarHBondContact OD1-OG 2.86Å; D297-R300 HydrophobicContact CB-CB 4.26Å; D297-R300 PolarHBondContact O-N 3.49Å; D297-R300 WeakPolarHBondContact OD2-CD 3.39Å; D297-R300 IonicContact OD2-CZ 3.95Å; D297-R300 IonicContact OD2-NH1 3.01Å; D297-R300 PolarHBondContact OD2-NH1 2.67Å; D297-Y301 PolarHBondContact O-N 2.89Å; D297-W352 WeakPolarHBondContact O-CH2 3.34Å
298	T	97.8	Very high	96.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-70.9	-31	-176.7	57.2	0	0	0	0	112.2	V275 G276 H277 R300 Y301 F304 T341 L344 W352	V275-T298 HydrophobicContact CG1-CG2 4.2Å; G276-T298 PolarHBondContact O-N 3.15Å; G276-T298 PolarHBondContact O-OG1 3.06Å; H277-T298 WeakPolarHBondContact CB-OG1 3.39Å; H277-T298 PolarHBondContact ND1-OG1 2.89Å; T298-R300 VanDerWaalsContact C-N 3.25Å; T298-R300 PolarHBondContact O-N 3.02Å; T298-Y301 PolarHBondContact O-N 3.1Å; T298-F304 HydrophobicContact CG2-CE2 4.35Å; T298-F304 WeakPolarHBondContact O-CD2 3.44Å; T298-T341 HydrophobicContact CG2-CG2 4.03Å; T298-L344 HydrophobicContact CG2-CB 4.33Å; T298-W352 HydrophobicContact CG2-CH2 4.29Å; T298-W352 HydrophobicContact CG2-CZ3 4.17Å
299	S	97.5	Very high	96.5	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.007	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.4	177.8	78.9	0	0	0	0	111.8	S278 D297 R305	S278-S299 PolarHBondContact N-OG 2.74Å; S278-S299 WeakPolarHBondContact OG-CB 3.25Å; S278-S299 PolarHBondContact OG-OG 2.88Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 VanDerWaalsContact OD1-N 3.16Å; D297-S299 PolarHBondContact OD1-OG 2.86Å; S299-R305 WeakPolarHBondContact O-CG 3.39Å
300	R	96	Very high	96.4	Very high	136 Å²	136	66.1 Å²	66.1	51%	0.513	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.2	179.1	-67.8	-171.2	164.2	102.2	-3.6	115	D297 T298 R302	D297-R300 HydrophobicContact CB-CB 4.26Å; D297-R300 PolarHBondContact O-N 3.49Å; D297-R300 WeakPolarHBondContact OD2-CD 3.39Å; D297-R300 IonicContact OD2-CZ 3.95Å; D297-R300 IonicContact OD2-NH1 3.01Å; D297-R300 PolarHBondContact OD2-NH1 2.67Å; T298-R300 VanDerWaalsContact C-N 3.25Å; T298-R300 PolarHBondContact O-N 3.02Å; R300-R302 PolarHBondContact O-N 3.34Å
301	Y	95.6	Very high	96.3	Very high	20 Å²	20	73.7 Å²	73.7	8%	0.078	33%	0.326	C	S	.	.			trans	-70.1	114.3	-179.2	-176.9	-125.3	0	0	0	110.7	D297 T298 P303 F304 R305 V348 W352	D297-Y301 PolarHBondContact O-N 2.89Å; T298-Y301 PolarHBondContact O-N 3.1Å; Y301-P303 HydrophobicContact CD1-CB 4.14Å; Y301-P303 HydrophobicContact CD1-CG 4.24Å; Y301-P303 HydrophobicContact CE1-CB 3.63Å; Y301-P303 HydrophobicContact CE1-CG 3.64Å; Y301-P303 HydrophobicContact CE2-CG 3.95Å; Y301-P303 VanDerWaalsContact CZ-CG 3.47Å; Y301-F304 HydrophobicContact CD1-CB 4.32Å; Y301-F304 AromaticContact CD1-CD1 3.94Å; Y301-F304 HydrophobicContact CD1-CD1 3.94Å; Y301-F304 AromaticContact CD1-CD2 3.62Å; Y301-F304 HydrophobicContact CD1-CD2 3.62Å; Y301-F304 HydrophobicContact CD1-CE1 4.16Å; Y301-F304 AromaticContact CD1-CE2 3.84Å; Y301-F304 HydrophobicContact CD1-CE2 3.84Å; Y301-F304 AromaticContact CD1-CG 3.67Å; Y301-F304 HydrophobicContact CD1-CG 3.67Å; Y301-F304 HydrophobicContact CD1-CZ 4.11Å; Y301-F304 HydrophobicContact CE1-CD1 4.39Å; Y301-F304 HydrophobicContact CE1-CE1 4.36Å; Y301-F304 HydrophobicContact CE1-CZ 4.47Å; Y301-F304 HydrophobicContact CG-CD2 4.26Å; Y301-F304 WeakPolarHBondContact O-CA 3.45Å; Y301-F304 WeakPolarHBondContact O-CB 3.48Å; Y301-F304 PolarHBondContact O-N 3.36Å; Y301-R305 PolarHBondContact O-N 3.05Å; Y301-R305 VanDerWaalsContact O-N 3.1Å; Y301-V348 HydrophobicContact CD1-CG2 4.39Å; Y301-V348 HydrophobicContact CE1-CB 4.22Å; Y301-V348 HydrophobicContact CE1-CG2 3.84Å; Y301-W352 HydrophobicContact CD1-CD2 4.49Å; Y301-W352 AromaticContact CD1-CE3 3.99Å; Y301-W352 HydrophobicContact CD1-CE3 3.99Å; Y301-W352 HydrophobicContact CD1-CZ3 4.1Å; Y301-W352 AromaticContact CD2-CD2 3.55Å; Y301-W352 HydrophobicContact CD2-CD2 3.55Å; Y301-W352 AromaticContact CD2-CE2 3.53Å; Y301-W352 AromaticContact CD2-CE3 3.84Å; Y301-W352 HydrophobicContact CD2-CE3 3.84Å; Y301-W352 HydrophobicContact CD2-CG 4.03Å; Y301-W352 HydrophobicContact CD2-CH2 4.16Å; Y301-W352 AromaticContact CD2-CZ2 3.86Å; Y301-W352 HydrophobicContact CD2-CZ2 3.86Å; Y301-W352 HydrophobicContact CD2-CZ3 4.14Å; Y301-W352 AromaticContact CD2-NE1 3.94Å; Y301-W352 HydrophobicContact CE1-CD2 4.48Å; Y301-W352 HydrophobicContact CE1-CE3 4.12Å; Y301-W352 HydrophobicContact CE2-CB 3.99Å; Y301-W352 AromaticContact CE2-CD1 3.85Å; Y301-W352 AromaticContact CE2-CD2 3.55Å; Y301-W352 HydrophobicContact CE2-CD2 3.55Å; Y301-W352 AromaticContact CE2-CE2 3.91Å; Y301-W352 AromaticContact CE2-CE3 3.99Å; Y301-W352 HydrophobicContact CE2-CE3 3.99Å; Y301-W352 AromaticContact CE2-CG 3.54Å; Y301-W352 HydrophobicContact CE2-CG 3.54Å; Y301-W352 HydrophobicContact CG-CD2 4.05Å; Y301-W352 AromaticContact CG-CE3 3.84Å; Y301-W352 HydrophobicContact CG-CE3 3.84Å; Y301-W352 AromaticContact CG-CH2 3.96Å; Y301-W352 HydrophobicContact CG-CH2 3.96Å; Y301-W352 HydrophobicContact CG-CZ2 4.13Å; Y301-W352 AromaticContact CG-CZ3 3.8Å; Y301-W352 HydrophobicContact CG-CZ3 3.8Å; Y301-W352 AromaticContact CZ-CG 3.99Å
302	R	95.4	Very high	96.3	Very high	158 Å²	158	76.1 Å²	76.1	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-50.5	-48.2	-172.8	-179.1	178	-177	-129.3	-1.7	113.6	R300 F304 R305 D306	R300-R302 PolarHBondContact O-N 3.34Å; R302-F304 PolarHBondContact O-N 3.19Å; R302-F304 VanDerWaalsContact O-N 3.13Å; R302-R305 PolarHBondContact O-N 3.37Å; R302-D306 PolarHBondContact O-N 3.03Å
303	P	95.5	Very high	96.4	Very high	40 Å²	40	65.6 Å²	65.6	26%	0.26	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-22.1	177.5	-27.6	38.4	0	0	0	115.5	Y301 L307	Y301-P303 HydrophobicContact CD1-CB 4.14Å; Y301-P303 HydrophobicContact CD1-CG 4.24Å; Y301-P303 HydrophobicContact CE1-CB 3.63Å; Y301-P303 HydrophobicContact CE1-CG 3.64Å; Y301-P303 HydrophobicContact CE2-CG 3.95Å; Y301-P303 VanDerWaalsContact CZ-CG 3.47Å; P303-L307 WeakPolarHBondContact O-CG 3.5Å
304	F	96.5	Very high	96.5	Very high	5 Å²	5	60.6 Å²	60.6	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-80.4	-44.7	171	-68.9	-21	0	0	0	111.1	T298 Y301 R302 D306 L307 F308 L318 V322 L344 V348 W352	T298-F304 HydrophobicContact CG2-CE2 4.35Å; T298-F304 WeakPolarHBondContact O-CD2 3.44Å; Y301-F304 HydrophobicContact CD1-CB 4.32Å; Y301-F304 AromaticContact CD1-CD1 3.94Å; Y301-F304 HydrophobicContact CD1-CD1 3.94Å; Y301-F304 AromaticContact CD1-CD2 3.62Å; Y301-F304 HydrophobicContact CD1-CD2 3.62Å; Y301-F304 HydrophobicContact CD1-CE1 4.16Å; Y301-F304 AromaticContact CD1-CE2 3.84Å; Y301-F304 HydrophobicContact CD1-CE2 3.84Å; Y301-F304 AromaticContact CD1-CG 3.67Å; Y301-F304 HydrophobicContact CD1-CG 3.67Å; Y301-F304 HydrophobicContact CD1-CZ 4.11Å; Y301-F304 HydrophobicContact CE1-CD1 4.39Å; Y301-F304 HydrophobicContact CE1-CE1 4.36Å; Y301-F304 HydrophobicContact CE1-CZ 4.47Å; Y301-F304 HydrophobicContact CG-CD2 4.26Å; Y301-F304 WeakPolarHBondContact O-CA 3.45Å; Y301-F304 WeakPolarHBondContact O-CB 3.48Å; Y301-F304 PolarHBondContact O-N 3.36Å; R302-F304 PolarHBondContact O-N 3.19Å; R302-F304 VanDerWaalsContact O-N 3.13Å; F304-D306 PolarHBondContact O-N 3.06Å; F304-L307 HydrophobicContact CD1-CD1 4.39Å; F304-L307 VanDerWaalsContact O-CB 3.26Å; F304-L307 WeakPolarHBondContact O-CB 3.45Å; F304-L307 PolarHBondContact O-N 3.05Å; F304-F308 WeakPolarHBondContact O-CD2 3.32Å; F304-L318 HydrophobicContact CB-CD1 3.77Å; F304-L318 HydrophobicContact CB-CD2 4.3Å; F304-L318 HydrophobicContact CD1-CD1 4.08Å; F304-L318 HydrophobicContact CD2-CD1 4.15Å; F304-L318 HydrophobicContact CD2-CD2 3.71Å; F304-L318 HydrophobicContact CD2-CG 4.46Å; F304-L318 HydrophobicContact CE2-CD2 4.26Å; F304-L318 HydrophobicContact CG-CD1 3.76Å; F304-L318 HydrophobicContact CG-CD2 4.15Å; F304-V322 HydrophobicContact CD1-CG2 4.34Å; F304-V322 HydrophobicContact CE1-CG1 4.28Å; F304-V322 HydrophobicContact CE1-CG2 4.24Å; F304-L344 HydrophobicContact CE2-CB 4.25Å; F304-L344 HydrophobicContact CZ-CB 4.36Å; F304-L344 HydrophobicContact CZ-CD2 4.44Å; F304-V348 HydrophobicContact CE1-CG1 3.67Å; F304-V348 HydrophobicContact CE1-CG2 4.15Å; F304-V348 HydrophobicContact CE2-CG2 4.29Å; F304-V348 HydrophobicContact CZ-CB 4.37Å; F304-V348 HydrophobicContact CZ-CG1 3.88Å; F304-V348 HydrophobicContact CZ-CG2 3.57Å; F304-W352 HydrophobicContact CE2-CZ3 4.45Å
305	R	97.5	Very high	96.6	Very high	93 Å²	93	58.7 Å²	58.7	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-37.3	173.9	-67.3	-179	57.9	-151	1.9	112.7	S299 Y301 R302 L307 F308 N309 G310	S299-R305 WeakPolarHBondContact O-CG 3.39Å; Y301-R305 PolarHBondContact O-N 3.05Å; Y301-R305 VanDerWaalsContact O-N 3.1Å; R302-R305 PolarHBondContact O-N 3.37Å; R305-L307 PolarHBondContact O-N 3.36Å; R305-F308 CarbonylContact O-C 3.29Å; R305-F308 VanDerWaalsContact O-C 3.28Å; R305-F308 WeakPolarHBondContact O-CA 3.5Å; R305-F308 PolarHBondContact O-N 3.16Å; R305-N309 PolarHBondContact O-N 3.34Å; R305-G310 PolarHBondContact NE-O 3.25Å; R305-G310 PolarHBondContact NH2-O 3.26Å; R305-G310 WeakPolarHBondContact O-CA 3.47Å; R305-G310 PolarHBondContact O-N 3.38Å
306	D	96.1	Very high	96.5	Very high	82 Å²	82	61.1 Å²	61.1	44%	0.439	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-60.6	-26.8	176.4	-62.3	-21.8	0	0	0	111.9	R302 F304 F308	R302-D306 PolarHBondContact O-N 3.03Å; F304-D306 PolarHBondContact O-N 3.06Å; D306-F308 PolarHBondContact O-N 3.42Å
307	L	95	Very high	96.5	Very high	58 Å²	58	61.8 Å²	61.8	30%	0.304	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-71.6	-15	173.5	-55.2	174.9	0	0	0	112.9	P303 F304 R305 K321 V322	P303-L307 WeakPolarHBondContact O-CG 3.5Å; F304-L307 HydrophobicContact CD1-CD1 4.39Å; F304-L307 VanDerWaalsContact O-CB 3.26Å; F304-L307 WeakPolarHBondContact O-CB 3.45Å; F304-L307 PolarHBondContact O-N 3.05Å; R305-L307 PolarHBondContact O-N 3.36Å; L307-K321 HydrophobicContact CB-CD 4.24Å; L307-K321 PolarHBondContact O-NZ 2.91Å; L307-V322 HydrophobicContact CD1-CG2 3.74Å
308	F	96.6	Very high	96.4	Very high	41 Å²	41	61.1 Å²	61.1	18%	0.18	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-124	35.8	-177	-66.1	-93.9	0	0	0	110.9	F304 R305 D306 G310 R311 P313 A317 L318 K321	F304-F308 WeakPolarHBondContact O-CD2 3.32Å; R305-F308 CarbonylContact O-C 3.29Å; R305-F308 VanDerWaalsContact O-C 3.28Å; R305-F308 WeakPolarHBondContact O-CA 3.5Å; R305-F308 PolarHBondContact O-N 3.16Å; D306-F308 PolarHBondContact O-N 3.42Å; F308-G310 PolarHBondContact O-N 3.14Å; F308-G310 VanDerWaalsContact O-N 3.15Å; F308-R311 WeakPolarHBondContact O-CB 3.29Å; F308-R311 PolarHBondContact O-N 3Å; F308-P313 HydrophobicContact CB-CB 4.45Å; F308-P313 HydrophobicContact CD1-CB 4.11Å; F308-P313 HydrophobicContact CD2-CB 3.49Å; F308-P313 VanDerWaalsContact CD2-CB 3.49Å; F308-P313 HydrophobicContact CD2-CG 4.02Å; F308-P313 HydrophobicContact CE1-CB 4.19Å; F308-P313 HydrophobicContact CE2-CB 3.58Å; F308-P313 HydrophobicContact CE2-CG 4.24Å; F308-P313 HydrophobicContact CG-CB 3.76Å; F308-P313 HydrophobicContact CZ-CB 3.94Å; F308-A317 HydrophobicContact CE1-CB 3.82Å; F308-A317 HydrophobicContact CZ-CB 4.06Å; F308-L318 HydrophobicContact CE2-CD1 3.9Å; F308-K321 HydrophobicContact CE1-CD 4.18Å; F308-K321 HydrophobicContact CE2-CD 3.84Å; F308-K321 HydrophobicContact CZ-CB 4.07Å; F308-K321 HydrophobicContact CZ-CD 3.59Å; F308-K321 HydrophobicContact CZ-CG 4.46Å
309	N	95.8	Very high	96.3	Very high	144 Å²	144	61.1 Å²	61.1	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.6	176.7	-53.5	84.2	0	0	0	113	R305 R311	R305-N309 PolarHBondContact O-N 3.34Å; N309-R311 VanDerWaalsContact C-N 3.26Å; N309-R311 PolarHBondContact O-N 3.12Å
310	G	94.5	Very high	96.2	Very high	26 Å²	26	66.2 Å²	66.2	27%	0.268	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-6.5	-177.8	0	0	0	0	0	114.6	R305 F308	R305-G310 PolarHBondContact NE-O 3.25Å; R305-G310 PolarHBondContact NH2-O 3.26Å; R305-G310 WeakPolarHBondContact O-CA 3.47Å; R305-G310 PolarHBondContact O-N 3.38Å; F308-G310 PolarHBondContact O-N 3.14Å; F308-G310 VanDerWaalsContact O-N 3.15Å
311	R	96.1	Very high	96.2	Very high	180 Å²	180	65.6 Å²	65.6	68%	0.679	32%	0.318	S	S	*	.	S	Bend	trans	-70.2	158.1	175.2	-59.7	-174.7	-179.1	114.6	-2.8	111	F308 N309 P313	F308-R311 WeakPolarHBondContact O-CB 3.29Å; F308-R311 PolarHBondContact O-N 3Å; N309-R311 VanDerWaalsContact C-N 3.26Å; N309-R311 PolarHBondContact O-N 3.12Å; R311-P313 WeakPolarHBondContact O-CD 2.98Å
312	I	96.7	Very high	96	Very high	103 Å²	103	65.5 Å²	65.5	53%	0.528	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-76.5	116.1	171.9	-61.1	176.2	0	0	0	106.6
313	P	96.9	Very high	95.9	Very high	7 Å²	7	60.3 Å²	60.3	5%	0.045	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-76.3	150.3	179	32.3	-34.7	0	0	0	111	H277 F308 R311 L318	H277-P313 PolarHBondContact CE1-O 3.39Å; H277-P313 PolarHBondContact NE2-O 3.02Å; F308-P313 HydrophobicContact CB-CB 4.45Å; F308-P313 HydrophobicContact CD1-CB 4.11Å; F308-P313 HydrophobicContact CD2-CB 3.49Å; F308-P313 VanDerWaalsContact CD2-CB 3.49Å; F308-P313 HydrophobicContact CD2-CG 4.02Å; F308-P313 HydrophobicContact CE1-CB 4.19Å; F308-P313 HydrophobicContact CE2-CB 3.58Å; F308-P313 HydrophobicContact CE2-CG 4.24Å; F308-P313 HydrophobicContact CG-CB 3.76Å; F308-P313 HydrophobicContact CZ-CB 3.94Å; R311-P313 WeakPolarHBondContact O-CD 2.98Å; P313-L318 HydrophobicContact CB-CB 4.13Å; P313-L318 HydrophobicContact CG-CB 4.24Å; P313-L318 HydrophobicContact CG-CD1 4.24Å; P313-L318 HydrophobicContact CG-CD2 4.1Å; P313-L318 HydrophobicContact CG-CG 4.43Å
314	S	97.1	Very high	95.7	Very high	67 Å²	67	61.5 Å²	61.5	47%	0.469	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-69.8	157.1	164.2	65.8	0	0	0	0	110.7	K316 A317 L318	S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.3Å; S314-A317 PolarHBondContact O-N 3.06Å; S314-A317 VanDerWaalsContact OG-CB 3.3Å; S314-A317 WeakPolarHBondContact OG-CB 3.36Å; S314-A317 PolarHBondContact OG-N 3.12Å; S314-L318 WeakPolarHBondContact O-CB 3.37Å; S314-L318 PolarHBondContact O-N 3.34Å
315	L	97.6	Very high	95.4	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-46.3	177.1	-178.5	59.8	0	0	0	111	H277 L318 T319 D337 A340 T341 L344	H277-L315 HydrophobicContact CB-CD1 4.24Å; H277-L315 PolarHBondContact NE2-N 3.46Å; L315-L318 PolarHBondContact O-N 2.88Å; L315-T319 VanDerWaalsContact O-CB 3.25Å; L315-T319 WeakPolarHBondContact O-CB 2.85Å; L315-T319 PolarHBondContact O-N 2.85Å; L315-T319 PolarHBondContact O-OG1 3.14Å; L315-D337 HydrophobicContact CD2-CB 3.64Å; L315-A340 HydrophobicContact CD1-CB 4.47Å; L315-T341 WeakPolarHBondContact CD1-OG1 3.22Å; L315-L344 HydrophobicContact CD1-CD1 3.69Å
316	K	96.8	Very high	95.2	Very high	88 Å²	88	61.7 Å²	61.7	38%	0.383	33%	0.332	S	S	.	.	H	α-helix	trans	-51.4	-57.1	174.1	-179.4	168.3	-171.7	161.9	0	112.8	S314 L318 T319 Q320 V327 Q328	S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.3Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 2.81Å; K316-T319 PolarHBondContact O-N 3.06Å; K316-Q320 WeakPolarHBondContact O-CB 3.42Å; K316-Q320 PolarHBondContact O-N 3Å; K316-V327 WeakPolarHBondContact CG-O 3.21Å; K316-Q328 HydrophobicContact CD-CB 4.41Å; K316-Q328 PolarHBondContact NZ-O 3.45Å
317	A	96.8	Very high	95.1	Very high	27 Å²	27	57.8 Å²	57.8	22%	0.223	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-39.1	-177.6	0	0	0	0	0	111.9	F308 S314 K321	F308-A317 HydrophobicContact CE1-CB 3.82Å; F308-A317 HydrophobicContact CZ-CB 4.06Å; S314-A317 PolarHBondContact O-N 3.06Å; S314-A317 VanDerWaalsContact OG-CB 3.3Å; S314-A317 WeakPolarHBondContact OG-CB 3.36Å; S314-A317 PolarHBondContact OG-N 3.12Å; A317-K321 VanDerWaalsContact O-CB 3.23Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 3.06Å
318	L	97	Very high	94.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-44.4	179	-177.2	58.9	0	0	0	112	F304 F308 P313 S314 L315 K316 K321 V322 L344	F304-L318 HydrophobicContact CB-CD1 3.77Å; F304-L318 HydrophobicContact CB-CD2 4.3Å; F304-L318 HydrophobicContact CD1-CD1 4.08Å; F304-L318 HydrophobicContact CD2-CD1 4.15Å; F304-L318 HydrophobicContact CD2-CD2 3.71Å; F304-L318 HydrophobicContact CD2-CG 4.46Å; F304-L318 HydrophobicContact CE2-CD2 4.26Å; F304-L318 HydrophobicContact CG-CD1 3.76Å; F304-L318 HydrophobicContact CG-CD2 4.15Å; F308-L318 HydrophobicContact CE2-CD1 3.9Å; P313-L318 HydrophobicContact CB-CB 4.13Å; P313-L318 HydrophobicContact CG-CB 4.24Å; P313-L318 HydrophobicContact CG-CD1 4.24Å; P313-L318 HydrophobicContact CG-CD2 4.1Å; P313-L318 HydrophobicContact CG-CG 4.43Å; S314-L318 WeakPolarHBondContact O-CB 3.37Å; S314-L318 PolarHBondContact O-N 3.34Å; L315-L318 PolarHBondContact O-N 2.88Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 2.81Å; L318-K321 PolarHBondContact O-N 3.29Å; L318-V322 HydrophobicContact CD1-CG2 3.67Å; L318-V322 HydrophobicContact CG-CG2 4.47Å; L318-V322 WeakPolarHBondContact O-CB 3.38Å; L318-V322 WeakPolarHBondContact O-CG2 3.38Å; L318-V322 PolarHBondContact O-N 2.97Å; L318-L344 HydrophobicContact CB-CD1 4.39Å; L318-L344 HydrophobicContact CD2-CD1 3.69Å; L318-L344 HydrophobicContact CD2-CD2 4.38Å; L318-L344 HydrophobicContact CG-CD1 3.8Å; L318-L344 HydrophobicContact CG-CD2 3.87Å; L318-L344 HydrophobicContact CG-CG 4.49Å
319	T	95.9	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-46.5	179.8	-57.6	0	0	0	0	110.6	L315 K316 K321 V322 L323 G324 V325 V327 A340	L315-T319 VanDerWaalsContact O-CB 3.25Å; L315-T319 WeakPolarHBondContact O-CB 2.85Å; L315-T319 PolarHBondContact O-N 2.85Å; L315-T319 PolarHBondContact O-OG1 3.14Å; K316-T319 PolarHBondContact O-N 3.06Å; T319-K321 VanDerWaalsContact C-N 3.35Å; T319-K321 PolarHBondContact O-N 3.16Å; T319-V322 PolarHBondContact O-N 3.18Å; T319-L323 HydrophobicContact CG2-CB 4.42Å; T319-L323 HydrophobicContact CG2-CD1 4.06Å; T319-L323 WeakPolarHBondContact O-CA 3.21Å; T319-L323 WeakPolarHBondContact O-CB 3.46Å; T319-L323 PolarHBondContact O-N 3.15Å; T319-G324 PolarHBondContact O-N 2.63Å; T319-V325 CarbonylContact C-O 3.56Å; T319-V325 HydrophobicContact CG2-CB 4.08Å; T319-V325 HydrophobicContact CG2-CG1 4.49Å; T319-V325 WeakPolarHBondContact CG2-O 3.45Å; T319-V327 HydrophobicContact CG2-CG1 3.87Å; T319-V327 HydrophobicContact CG2-CG2 4.02Å; T319-A340 HydrophobicContact CG2-CB 4.14Å
320	Q	95.4	Very high	94.3	Very high	107 Å²	107	52.7 Å²	52.7	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-47.3	175	-171.7	-178.4	22.8	0	0	111.1	K316 G324 V325 N326	K316-Q320 WeakPolarHBondContact O-CB 3.42Å; K316-Q320 PolarHBondContact O-N 3Å; Q320-G324 WeakPolarHBondContact O-CA 3.49Å; Q320-G324 PolarHBondContact O-N 3.09Å; Q320-V325 VanDerWaalsContact CA-O 3.31Å; Q320-V325 WeakPolarHBondContact CA-O 3.29Å; Q320-V325 PolarHBondContact N-O 2.64Å; Q320-N326 WeakPolarHBondContact CG-OD1 3.45Å; Q320-N326 PolarHBondContact NE2-OD1 2.92Å
321	K	94.6	Very high	94.2	Very high	124 Å²	124	55 Å²	55	54%	0.539	30%	0.303	S	S	.	.	H	α-helix	trans	-70.7	-36.8	-176.5	-168.1	166.6	-167.5	163.6	0	114.1	L307 F308 A317 L318 T319	L307-K321 HydrophobicContact CB-CD 4.24Å; L307-K321 PolarHBondContact O-NZ 2.91Å; F308-K321 HydrophobicContact CE1-CD 4.18Å; F308-K321 HydrophobicContact CE2-CD 3.84Å; F308-K321 HydrophobicContact CZ-CB 4.07Å; F308-K321 HydrophobicContact CZ-CD 3.59Å; F308-K321 HydrophobicContact CZ-CG 4.46Å; A317-K321 VanDerWaalsContact O-CB 3.23Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 3.06Å; L318-K321 PolarHBondContact O-N 3.29Å; T319-K321 VanDerWaalsContact C-N 3.35Å; T319-K321 PolarHBondContact O-N 3.16Å
322	V	92.7	Very high	94	Very high	18 Å²	18	48.8 Å²	48.8	11%	0.109	28%	0.282	C	S	.	.	H	α-helix	trans	-96.6	-36.6	-172.5	176.5	0	0	0	0	112.8	R45 F304 L307 L318 T319 L344	R45-V322 PolarHBondContact NH1-O 2.79Å; F304-V322 HydrophobicContact CD1-CG2 4.34Å; F304-V322 HydrophobicContact CE1-CG1 4.28Å; F304-V322 HydrophobicContact CE1-CG2 4.24Å; L307-V322 HydrophobicContact CD1-CG2 3.74Å; L318-V322 HydrophobicContact CD1-CG2 3.67Å; L318-V322 HydrophobicContact CG-CG2 4.47Å; L318-V322 WeakPolarHBondContact O-CB 3.38Å; L318-V322 WeakPolarHBondContact O-CG2 3.38Å; L318-V322 PolarHBondContact O-N 2.97Å; T319-V322 PolarHBondContact O-N 3.18Å; V322-L344 HydrophobicContact CB-CD2 3.66Å; V322-L344 HydrophobicContact CG1-CD2 3.8Å; V322-L344 HydrophobicContact CG2-CD2 4.24Å
323	L	92	Very high	94	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-106.8	-18.6	-176.3	-54.8	-175.2	0	0	0	113.2	L179 T319 V325 R343 L344	L179-L323 HydrophobicContact CD2-CD1 4.47Å; T319-L323 HydrophobicContact CG2-CB 4.42Å; T319-L323 HydrophobicContact CG2-CD1 4.06Å; T319-L323 WeakPolarHBondContact O-CA 3.21Å; T319-L323 WeakPolarHBondContact O-CB 3.46Å; T319-L323 PolarHBondContact O-N 3.15Å; L323-V325 VanDerWaalsContact C-N 3.29Å; L323-V325 HydrophobicContact CB-CB 4.4Å; L323-V325 HydrophobicContact CB-CG2 4.17Å; L323-R343 HydrophobicContact CD1-CB 3.51Å; L323-L344 HydrophobicContact CD1-CD2 4.22Å; L323-L344 HydrophobicContact CD1-CG 4.11Å; L323-L344 HydrophobicContact CD2-CD2 4.47Å; L323-L344 HydrophobicContact CG-CD2 3.97Å; L323-L344 HydrophobicContact CG-CG 4.41Å
324	G	92.2	Very high	94	Very high	65 Å²	65	45.2 Å²	45.2	67%	0.67	26%	0.263	S	S	*	.	S	Bend	trans	71.5	26.9	-174	0	0	0	0	0	112.7	T319 Q320	T319-G324 PolarHBondContact O-N 2.63Å; Q320-G324 WeakPolarHBondContact O-CA 3.49Å; Q320-G324 PolarHBondContact O-N 3.09Å
325	V	90.6	Very high	94	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.121	25%	0.247	C	C	.	.			trans	-120.3	129.3	-177	178.5	0	0	0	0	108.6	T175 L179 T319 Q320 L323 V327	T175-V325 HydrophobicContact CG2-CG1 3.51Å; L179-V325 HydrophobicContact CD2-CG1 4.32Å; T319-V325 CarbonylContact C-O 3.56Å; T319-V325 HydrophobicContact CG2-CB 4.08Å; T319-V325 HydrophobicContact CG2-CG1 4.49Å; T319-V325 WeakPolarHBondContact CG2-O 3.45Å; Q320-V325 VanDerWaalsContact CA-O 3.31Å; Q320-V325 WeakPolarHBondContact CA-O 3.29Å; Q320-V325 PolarHBondContact N-O 2.64Å; L323-V325 VanDerWaalsContact C-N 3.29Å; L323-V325 HydrophobicContact CB-CB 4.4Å; L323-V325 HydrophobicContact CB-CG2 4.17Å; V325-V327 HydrophobicContact CG1-CG1 4.14Å
326	N	93.2	Very high	94	Very high	82 Å²	82	43 Å²	43	44%	0.439	25%	0.246	S	C	.	.			trans	-85	126.9	172.1	-65	-26.2	0	0	0	108.2	T175 Q320	T175-N326 WeakPolarHBondContact CG2-O 3.43Å; Q320-N326 WeakPolarHBondContact CG-OD1 3.45Å; Q320-N326 PolarHBondContact NE2-OD1 2.92Å
327	V	93.2	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.			trans	-125	162.5	173.6	-64.3	0	0	0	0	107.8	T175 L179 K316 T319 V325 S329 E336 A340	T175-V327 HydrophobicContact CG2-CG1 4.05Å; L179-V327 HydrophobicContact CD1-CG1 4.18Å; K316-V327 WeakPolarHBondContact CG-O 3.21Å; T319-V327 HydrophobicContact CG2-CG1 3.87Å; T319-V327 HydrophobicContact CG2-CG2 4.02Å; V325-V327 HydrophobicContact CG1-CG1 4.14Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 3.06Å; V327-E336 WeakPolarHBondContact CA-OE2 3.35Å; V327-E336 HydrophobicContact CB-CG 4.15Å; V327-E336 HydrophobicContact CG1-CG 3.91Å; V327-A340 HydrophobicContact CG1-CB 4.02Å
328	Q	91.8	Very high	94.2	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.131	22%	0.218	C	C	.	.			trans	57.5	48.3	-178.2	-53	173.1	-24.4	0	0	111	K316 G330 E336 D337	K316-Q328 HydrophobicContact CD-CB 4.41Å; K316-Q328 PolarHBondContact NZ-O 3.45Å; Q328-G330 PolarHBondContact O-N 2.73Å; Q328-E336 PolarHBondContact N-OE2 3.05Å; Q328-D337 WeakPolarHBondContact CG-OD1 3.3Å; Q328-D337 PolarHBondContact NE2-OD1 2.98Å; Q328-D337 PolarHBondContact NE2-OD2 2.88Å
329	S	88.2	Confident	94.2	Very high	68 Å²	68	39.6 Å²	39.6	48%	0.476	23%	0.225	S	C	.	.	S	Bend	trans	-77.5	-0.9	176	-62.7	0	0	0	0	113.2	V327	V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 3.06Å
330	G	90.7	Very high	94.3	Very high	40 Å²	40	39.6 Å²	39.6	41%	0.412	23%	0.225	S	C	.	.	S	Bend	trans	-161.3	-130.4	175.2	0	0	0	0	0	109.1	Q328	Q328-G330 PolarHBondContact O-N 2.73Å
331	E	93.3	Very high	94.4	Very high	73 Å²	73	34.5 Å²	34.5	34%	0.341	20%	0.201	S	C	.	.	S	Bend	trans	-59.1	147.4	167.6	-61	178.4	177	0	0	110.5	G243 R245	G243-E331 WeakPolarHBondContact CA-OE2 3.37Å; R245-E331 IonicContact CZ-OE1 2.62Å; R245-E331 IonicContact CZ-OE2 3.33Å; R245-E331 VanDerWaalsContact NH1-CD 3.35Å; R245-E331 IonicContact NH1-OE1 2.73Å; R245-E331 PolarHBondContact NH1-OE1 3.34Å; R245-E331 IonicContact NH1-OE2 3.37Å; R245-E331 PolarHBondContact NH1-OE2 3.42Å; R245-E331 IonicContact NH2-OE1 3.3Å; R245-E331 PolarHBondContact NH2-OE1 2.99Å; R245-E331 IonicContact NH2-OE2 2.75Å; R245-E331 PolarHBondContact NH2-OE2 3.4Å
332	H	92.5	Very high	94.6	Very high	50 Å²	50	28.7 Å²	28.7	23%	0.231	18%	0.176	C	C	.	.			trans	-74.1	145.5	179	-60.8	-178.8	0	0	0	110.9	E197 V241	E197-H332 WeakPolarHBondContact OE1-CB 3.49Å; V241-H332 WeakPolarHBondContact O-CB 3.47Å; V241-H332 PolarHBondContact O-N 2.84Å
333	D	95.7	Very high	94.8	Very high	35 Å²	35	30.4 Å²	30.4	19%	0.187	18%	0.181	C	C	.	.			trans	-121	113.6	168.8	174.4	52.5	0	0	0	108.4	R212 I335 E336 D337	R212-D333 IonicContact CZ-OD1 3.09Å; R212-D333 VanDerWaalsContact CZ-OD1 3.32Å; R212-D333 IonicContact NH1-OD1 3.68Å; R212-D333 PolarHBondContact NH1-OD1 3.43Å; R212-D333 IonicContact NH2-OD1 2.78Å; R212-D333 PolarHBondContact NH2-OD1 3.19Å; R212-D333 VanDerWaalsContact NH2-OD1 3.09Å; D333-I335 PolarHBondContact O-N 3.03Å; D333-I335 VanDerWaalsContact O-N 3.12Å; D333-I335 WeakPolarHBondContact OD2-CB 3.41Å; D333-E336 HydrophobicContact CB-CB 4.09Å; D333-E336 WeakPolarHBondContact O-CB 3.23Å; D333-E336 PolarHBondContact O-N 2.8Å; D333-E336 PolarHBondContact OD2-N 2.74Å; D333-D337 PolarHBondContact O-N 2.89Å
334	S	97.3	Very high	95	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-26.2	-177.9	49.9	0	0	0	0	113.2	R212 S214 A338	R212-S334 VanDerWaalsContact CD-OG 3.31Å; R212-S334 WeakPolarHBondContact CD-OG 3.14Å; R212-S334 PolarHBondContact NE-OG 3.01Å; S214-S334 VanDerWaalsContact OG-CB 3.31Å; S214-S334 WeakPolarHBondContact OG-CB 3.47Å; S214-S334 PolarHBondContact OG-OG 3.48Å; S334-A338 WeakPolarHBondContact O-CB 3.31Å; S334-A338 PolarHBondContact O-N 3.48Å
335	I	97.5	Very high	95.3	Very high	24 Å²	24	25 Å²	25	12%	0.123	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-50.9	172	-64.4	171.2	0	0	0	110.5	S214 D225 D333 D337 A338 R339	S214-I335 PolarHBondContact OG-N 3.29Å; D225-I335 HydrophobicContact CB-CD1 3.94Å; D225-I335 HydrophobicContact CB-CG1 4.17Å; D225-I335 VanDerWaalsContact CG-CD1 3.49Å; D225-I335 WeakPolarHBondContact OD2-CD1 3.22Å; D333-I335 PolarHBondContact O-N 3.03Å; D333-I335 VanDerWaalsContact O-N 3.12Å; D333-I335 WeakPolarHBondContact OD2-CB 3.41Å; I335-D337 VanDerWaalsContact C-N 3.29Å; I335-D337 PolarHBondContact O-N 2.95Å; I335-A338 PolarHBondContact O-N 3.44Å; I335-R339 HydrophobicContact CG2-CG 4.34Å; I335-R339 WeakPolarHBondContact O-CB 3.5Å; I335-R339 WeakPolarHBondContact O-CG 3.38Å; I335-R339 PolarHBondContact O-N 3.34Å
336	E	97.4	Very high	95.5	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-52.6	-48.9	175.7	-178.9	174.6	-109.6	0	0	110.9	T175 T176 L179 V327 Q328 D333 R339 A340	T175-E336 WeakPolarHBondContact CG2-OE1 3.38Å; T176-E336 HydrophobicContact CG2-CB 4.21Å; T176-E336 HydrophobicContact CG2-CG 4.45Å; L179-E336 HydrophobicContact CD1-CG 4.12Å; V327-E336 WeakPolarHBondContact CA-OE2 3.35Å; V327-E336 HydrophobicContact CB-CG 4.15Å; V327-E336 HydrophobicContact CG1-CG 3.91Å; Q328-E336 PolarHBondContact N-OE2 3.05Å; D333-E336 HydrophobicContact CB-CB 4.09Å; D333-E336 WeakPolarHBondContact O-CB 3.23Å; D333-E336 PolarHBondContact O-N 2.8Å; D333-E336 PolarHBondContact OD2-N 2.74Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-A340 WeakPolarHBondContact O-CB 3.42Å; E336-A340 PolarHBondContact O-N 3.3Å
337	D	97.9	Very high	95.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-41.7	-175.2	-77.8	-9.7	0	0	0	112.7	D195 L315 Q328 D333 I335 R339 A340 T341	D195-D337 HydrophobicContact CB-CB 4.28Å; L315-D337 HydrophobicContact CD2-CB 3.64Å; Q328-D337 WeakPolarHBondContact CG-OD1 3.3Å; Q328-D337 PolarHBondContact NE2-OD1 2.98Å; Q328-D337 PolarHBondContact NE2-OD2 2.88Å; D333-D337 PolarHBondContact O-N 2.89Å; I335-D337 VanDerWaalsContact C-N 3.29Å; I335-D337 PolarHBondContact O-N 2.95Å; D337-R339 VanDerWaalsContact C-N 3.32Å; D337-R339 PolarHBondContact O-N 3.17Å; D337-A340 PolarHBondContact O-N 3.32Å; D337-T341 WeakPolarHBondContact O-CB 3.11Å; D337-T341 PolarHBondContact O-N 3.42Å; D337-T341 PolarHBondContact O-OG1 3.49Å
338	A	98.4	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-40.5	172.6	0	0	0	0	0	111.6	A193 D195 V216 S334 I335 M342	A193-A338 VanDerWaalsContact CB-O 3.29Å; A193-A338 WeakPolarHBondContact CB-O 3.36Å; D195-A338 HydrophobicContact CB-CB 3.94Å; V216-A338 HydrophobicContact CG1-CB 4.11Å; V216-A338 HydrophobicContact CG2-CB 3.98Å; S334-A338 WeakPolarHBondContact O-CB 3.31Å; S334-A338 PolarHBondContact O-N 3.48Å; I335-A338 PolarHBondContact O-N 3.44Å; A338-M342 WeakPolarHBondContact O-CB 3.28Å; A338-M342 PolarHBondContact O-N 3.17Å
339	R	98.1	Very high	95.6	Very high	40 Å²	40	27.2 Å²	27.2	15%	0.151	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-44.7	177.3	-70.4	172.3	173	165.5	5	111.9	L179 V180 V216 G220 T222 I335 E336 D337 T341 M342 R343	L179-R339 HydrophobicContact CB-CB 3.78Å; L179-R339 HydrophobicContact CD1-CB 4.19Å; V180-R339 HydrophobicContact CG2-CG 4.35Å; V180-R339 VanDerWaalsContact CG2-CZ 3.43Å; V216-R339 HydrophobicContact CB-CG 4.5Å; V216-R339 HydrophobicContact CG1-CG 3.94Å; V216-R339 HydrophobicContact CG2-CG 4.39Å; G220-R339 PolarHBondContact O-NE 3.4Å; T222-R339 PolarHBondContact OG1-NH2 3.26Å; T222-R339 VanDerWaalsContact OG1-NH2 3.07Å; I335-R339 HydrophobicContact CG2-CG 4.34Å; I335-R339 WeakPolarHBondContact O-CB 3.5Å; I335-R339 WeakPolarHBondContact O-CG 3.38Å; I335-R339 PolarHBondContact O-N 3.34Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.46Å; D337-R339 VanDerWaalsContact C-N 3.32Å; D337-R339 PolarHBondContact O-N 3.17Å; R339-T341 VanDerWaalsContact C-N 3.33Å; R339-T341 PolarHBondContact O-N 2.84Å; R339-M342 PolarHBondContact O-N 3.06Å; R339-R343 WeakPolarHBondContact O-CB 3.43Å; R339-R343 WeakPolarHBondContact O-CG 3.35Å; R339-R343 PolarHBondContact O-N 2.99Å
340	A	97.8	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-47.2	177	0	0	0	0	0	110.7	L179 L315 T319 V327 E336 D337 M342 R343 L344	L179-A340 HydrophobicContact CD1-CB 4.08Å; L315-A340 HydrophobicContact CD1-CB 4.47Å; T319-A340 HydrophobicContact CG2-CB 4.14Å; V327-A340 HydrophobicContact CG1-CB 4.02Å; E336-A340 WeakPolarHBondContact O-CB 3.42Å; E336-A340 PolarHBondContact O-N 3.3Å; D337-A340 PolarHBondContact O-N 3.32Å; A340-M342 PolarHBondContact O-N 3.28Å; A340-R343 WeakPolarHBondContact O-CB 2.75Å; A340-R343 PolarHBondContact O-N 3.07Å; A340-R343 VanDerWaalsContact O-N 3.15Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 3.08Å
341	T	98.2	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-44.4	175.8	-67.7	0	0	0	0	112.5	V275 H277 T298 L315 D337 R339 R343 L344 Y345	V275-T341 HydrophobicContact CG1-CG2 3.86Å; H277-T341 HydrophobicContact CB-CG2 4.46Å; T298-T341 HydrophobicContact CG2-CG2 4.03Å; L315-T341 WeakPolarHBondContact CD1-OG1 3.22Å; D337-T341 WeakPolarHBondContact O-CB 3.11Å; D337-T341 PolarHBondContact O-N 3.42Å; D337-T341 PolarHBondContact O-OG1 3.49Å; R339-T341 VanDerWaalsContact C-N 3.33Å; R339-T341 PolarHBondContact O-N 2.84Å; T341-R343 VanDerWaalsContact C-N 3.33Å; T341-R343 PolarHBondContact O-N 3.18Å; T341-L344 PolarHBondContact O-N 3.02Å; T341-Y345 PolarHBondContact O-N 3.14Å
342	M	98.3	Very high	95.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-40.3	174.6	-176.2	53.3	76.6	0	0	111.8	R191 A193 V216 Q218 V275 A338 R339 A340 Y345 T346	R191-M342 HydrophobicContact CB-CE 4.48Å; A193-M342 HydrophobicContact CB-CB 3.78Å; A193-M342 HydrophobicContact CB-CE 3.61Å; V216-M342 HydrophobicContact CG2-CB 4.28Å; Q218-M342 HydrophobicContact CB-SD 4.34Å; V275-M342 HydrophobicContact CB-CE 4.38Å; V275-M342 HydrophobicContact CG2-CE 4.06Å; V275-M342 HydrophobicContact CG2-SD 4.36Å; A338-M342 WeakPolarHBondContact O-CB 3.28Å; A338-M342 PolarHBondContact O-N 3.17Å; R339-M342 PolarHBondContact O-N 3.06Å; A340-M342 PolarHBondContact O-N 3.28Å; M342-Y345 PolarHBondContact O-N 3.05Å; M342-Y345 HydrophobicContact SD-CD1 3.89Å; M342-T346 HydrophobicContact CG-CG2 4.26Å; M342-T346 WeakPolarHBondContact O-CB 3.36Å; M342-T346 VanDerWaalsContact O-CG2 3.31Å; M342-T346 WeakPolarHBondContact O-CG2 3.21Å; M342-T346 PolarHBondContact O-N 2.91Å; M342-T346 PolarHBondContact O-OG1 3.21Å; M342-T346 HydrophobicContact SD-CG2 3.88Å
343	R	96.6	Very high	95.7	Very high	54 Å²	54	33.1 Å²	33.1	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-42.2	177.5	-75.4	-68.7	-177.5	139.2	12.9	112.4	S178 L179 V180 K181 L323 R339 A340 T341 Y345 T346 S347	S178-R343 PolarHBondContact O-NH2 2.95Å; L179-R343 HydrophobicContact CB-CG 4.37Å; L179-R343 HydrophobicContact CD2-CB 4.24Å; L179-R343 HydrophobicContact CD2-CG 3.97Å; L179-R343 WeakPolarHBondContact O-CG 3.3Å; L179-R343 VanDerWaalsContact O-CZ 3.31Å; L179-R343 PolarHBondContact O-NE 2.96Å; L179-R343 PolarHBondContact O-NH2 3.37Å; V180-R343 PolarHBondContact O-NH2 3.44Å; V180-R343 VanDerWaalsContact O-NH2 3.08Å; K181-R343 VanDerWaalsContact CG-NH2 3.28Å; L323-R343 HydrophobicContact CD1-CB 3.51Å; R339-R343 WeakPolarHBondContact O-CB 3.43Å; R339-R343 WeakPolarHBondContact O-CG 3.35Å; R339-R343 PolarHBondContact O-N 2.99Å; A340-R343 WeakPolarHBondContact O-CB 2.75Å; A340-R343 PolarHBondContact O-N 3.07Å; A340-R343 VanDerWaalsContact O-N 3.15Å; T341-R343 VanDerWaalsContact C-N 3.33Å; T341-R343 PolarHBondContact O-N 3.18Å; R343-Y345 PolarHBondContact O-N 3.21Å; R343-T346 WeakPolarHBondContact CA-OG1 3.49Å; R343-T346 PolarHBondContact O-N 3.23Å; R343-T346 PolarHBondContact O-OG1 3.18Å; R343-T346 VanDerWaalsContact O-OG1 3.06Å; R343-S347 WeakPolarHBondContact O-CB 3.31Å; R343-S347 PolarHBondContact O-N 3.1Å
344	L	97.2	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.7	-53.4	171.6	-76.5	169.6	0	0	0	110.9	T298 F304 L315 L318 V322 L323 A340 T341 T346 S347	T298-L344 HydrophobicContact CG2-CB 4.33Å; F304-L344 HydrophobicContact CE2-CB 4.25Å; F304-L344 HydrophobicContact CZ-CB 4.36Å; F304-L344 HydrophobicContact CZ-CD2 4.44Å; L315-L344 HydrophobicContact CD1-CD1 3.69Å; L318-L344 HydrophobicContact CB-CD1 4.39Å; L318-L344 HydrophobicContact CD2-CD1 3.69Å; L318-L344 HydrophobicContact CD2-CD2 4.38Å; L318-L344 HydrophobicContact CG-CD1 3.8Å; L318-L344 HydrophobicContact CG-CD2 3.87Å; L318-L344 HydrophobicContact CG-CG 4.49Å; V322-L344 HydrophobicContact CB-CD2 3.66Å; V322-L344 HydrophobicContact CG1-CD2 3.8Å; V322-L344 HydrophobicContact CG2-CD2 4.24Å; L323-L344 HydrophobicContact CD1-CD2 4.22Å; L323-L344 HydrophobicContact CD1-CG 4.11Å; L323-L344 HydrophobicContact CD2-CD2 4.47Å; L323-L344 HydrophobicContact CG-CD2 3.97Å; L323-L344 HydrophobicContact CG-CG 4.41Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 3.08Å; T341-L344 PolarHBondContact O-N 3.02Å; L344-T346 PolarHBondContact O-N 3.24Å; L344-S347 PolarHBondContact O-N 3.14Å; L344-S347 PolarHBondContact O-OG 3.37Å
345	Y	97.6	Very high	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-47.2	178.5	165	-113.6	0	0	0	112.6	R191 V275 R296 T341 M342 R343 S347 V348 K349 W352 E353	R191-Y345 HydrophobicContact CB-CE1 4.34Å; R191-Y345 HydrophobicContact CG-CE1 4.15Å; V275-Y345 VanDerWaalsContact CG1-CB 3.47Å; V275-Y345 HydrophobicContact CG1-CD1 4.21Å; V275-Y345 HydrophobicContact CG1-CG 3.89Å; V275-Y345 HydrophobicContact CG2-CD1 3.5Å; V275-Y345 VanDerWaalsContact CG2-CD1 3.5Å; V275-Y345 HydrophobicContact CG2-CE1 3.76Å; V275-Y345 HydrophobicContact CG2-CG 3.88Å; R296-Y345 HydrophobicContact CB-CD2 4.21Å; R296-Y345 HydrophobicContact CB-CE2 4.29Å; R296-Y345 HydrophobicContact CG-CD2 3.91Å; R296-Y345 HydrophobicContact CG-CE2 3.52Å; T341-Y345 PolarHBondContact O-N 3.14Å; M342-Y345 PolarHBondContact O-N 3.05Å; M342-Y345 HydrophobicContact SD-CD1 3.89Å; R343-Y345 PolarHBondContact O-N 3.21Å; Y345-S347 VanDerWaalsContact C-N 3.27Å; Y345-S347 PolarHBondContact O-N 3.38Å; Y345-V348 CarbonylContact O-C 3.59Å; Y345-V348 PolarHBondContact O-N 3.48Å; Y345-K349 HydrophobicContact CE1-CD 4.33Å; Y345-K349 HydrophobicContact CE1-CG 4.43Å; Y345-K349 HydrophobicContact CE2-CB 4.33Å; Y345-K349 HydrophobicContact CE2-CG 4.4Å; Y345-K349 WeakPolarHBondContact O-CA 3.48Å; Y345-K349 VanDerWaalsContact O-CB 3.32Å; Y345-K349 WeakPolarHBondContact O-CB 3.31Å; Y345-K349 PolarHBondContact O-N 3.21Å; Y345-W352 HydrophobicContact CD2-CD2 4.19Å; Y345-W352 AromaticContact CD2-CE3 3.65Å; Y345-W352 HydrophobicContact CD2-CE3 3.65Å; Y345-W352 AromaticContact CD2-CZ3 3.9Å; Y345-W352 HydrophobicContact CD2-CZ3 3.9Å; Y345-W352 HydrophobicContact CE2-CD2 4.39Å; Y345-W352 HydrophobicContact CE2-CE3 4.28Å; Y345-E353 PolarHBondContact OH-OE1 2.94Å
346	T	95.3	Very high	94.1	Very high	43 Å²	43	39 Å²	39	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-31.4	-178.4	51.6	0	0	0	0	112.9	M342 R343 L344 V348	M342-T346 HydrophobicContact CG-CG2 4.26Å; M342-T346 WeakPolarHBondContact O-CB 3.36Å; M342-T346 VanDerWaalsContact O-CG2 3.31Å; M342-T346 WeakPolarHBondContact O-CG2 3.21Å; M342-T346 PolarHBondContact O-N 2.91Å; M342-T346 PolarHBondContact O-OG1 3.21Å; M342-T346 HydrophobicContact SD-CG2 3.88Å; R343-T346 WeakPolarHBondContact CA-OG1 3.49Å; R343-T346 PolarHBondContact O-N 3.23Å; R343-T346 PolarHBondContact O-OG1 3.18Å; R343-T346 VanDerWaalsContact O-OG1 3.06Å; L344-T346 PolarHBondContact O-N 3.24Å; T346-V348 VanDerWaalsContact C-N 3.3Å; T346-V348 PolarHBondContact O-N 3.37Å
347	S	93.1	Very high	93.2	Very high	53 Å²	53	45.4 Å²	45.4	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-34.2	175.6	79.5	0	0	0	0	113.3	R343 L344 Y345	R343-S347 WeakPolarHBondContact O-CB 3.31Å; R343-S347 PolarHBondContact O-N 3.1Å; L344-S347 PolarHBondContact O-N 3.14Å; L344-S347 PolarHBondContact O-OG 3.37Å; Y345-S347 VanDerWaalsContact C-N 3.27Å; Y345-S347 PolarHBondContact O-N 3.38Å
348	V	93.5	Very high	91.7	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-111.4	-0.2	-178.4	-63.6	0	0	0	0	114	Y301 F304 Y345 T346 R350 V351 W352	Y301-V348 HydrophobicContact CD1-CG2 4.39Å; Y301-V348 HydrophobicContact CE1-CB 4.22Å; Y301-V348 HydrophobicContact CE1-CG2 3.84Å; F304-V348 HydrophobicContact CE1-CG1 3.67Å; F304-V348 HydrophobicContact CE1-CG2 4.15Å; F304-V348 HydrophobicContact CE2-CG2 4.29Å; F304-V348 HydrophobicContact CZ-CB 4.37Å; F304-V348 HydrophobicContact CZ-CG1 3.88Å; F304-V348 HydrophobicContact CZ-CG2 3.57Å; Y345-V348 CarbonylContact O-C 3.59Å; Y345-V348 PolarHBondContact O-N 3.48Å; T346-V348 VanDerWaalsContact C-N 3.3Å; T346-V348 PolarHBondContact O-N 3.37Å; V348-R350 PolarHBondContact O-N 3.33Å; V348-V351 PolarHBondContact O-N 2.9Å; V348-W352 HydrophobicContact CG2-CE3 3.79Å; V348-W352 HydrophobicContact CG2-CZ3 4.46Å; V348-W352 PolarHBondContact O-N 2.9Å
349	K	94	Very high	90.3	Very high	50 Å²	50	60.2 Å²	60.2	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-48.4	-41	-172.9	170.3	-179.5	172.1	-178.9	0	113.6	R191 Y345 V351 E353	R191-K349 VanDerWaalsContact NE-CE 3.32Å; Y345-K349 HydrophobicContact CE1-CD 4.33Å; Y345-K349 HydrophobicContact CE1-CG 4.43Å; Y345-K349 HydrophobicContact CE2-CB 4.33Å; Y345-K349 HydrophobicContact CE2-CG 4.4Å; Y345-K349 WeakPolarHBondContact O-CA 3.48Å; Y345-K349 VanDerWaalsContact O-CB 3.32Å; Y345-K349 WeakPolarHBondContact O-CB 3.31Å; Y345-K349 PolarHBondContact O-N 3.21Å; K349-V351 PolarHBondContact O-N 3.23Å; K349-E353 HydrophobicContact CG-CG 4.14Å; K349-E353 VanDerWaalsContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CB 3.31Å; K349-E353 VanDerWaalsContact O-CG 3.24Å; K349-E353 WeakPolarHBondContact O-CG 3.29Å; K349-E353 PolarHBondContact O-N 2.94Å
350	R	90	Very high	89	Confident	219 Å²	219	62.1 Å²	62.1	83%	0.826	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-45.2	179.8	-175.2	179	176.4	176.6	-2.2	111.4	V348 S354	V348-R350 PolarHBondContact O-N 3.33Å; R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.86Å; R350-S354 PolarHBondContact O-OG 2.63Å
351	V	90.8	Very high	87.5	Confident	97 Å²	97	64.9 Å²	64.9	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-74	-46.8	-179.6	-179.3	0	0	0	0	110.2	V348 K349 E353 S354 S355	V348-V351 PolarHBondContact O-N 2.9Å; K349-V351 PolarHBondContact O-N 3.23Å; V351-E353 PolarHBondContact O-N 3.5Å; V351-S354 PolarHBondContact O-N 2.72Å; V351-S355 PolarHBondContact O-N 3.34Å
352	W	92.7	Very high	86	Confident	12 Å²	12	71.5 Å²	71.5	5%	0.045	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-52.5	-179.5	-165.9	-24.2	0	0	0	111.3	R296 D297 T298 Y301 F304 Y345 V348 S354 S355 K356	R296-W352 HydrophobicContact CB-CH2 3.93Å; R296-W352 HydrophobicContact CB-CZ2 3.8Å; R296-W352 HydrophobicContact CG-CD2 4.44Å; R296-W352 HydrophobicContact CG-CH2 4.38Å; R296-W352 HydrophobicContact CG-CZ2 3.93Å; D297-W352 WeakPolarHBondContact O-CH2 3.34Å; T298-W352 HydrophobicContact CG2-CH2 4.29Å; T298-W352 HydrophobicContact CG2-CZ3 4.17Å; Y301-W352 HydrophobicContact CD1-CD2 4.49Å; Y301-W352 AromaticContact CD1-CE3 3.99Å; Y301-W352 HydrophobicContact CD1-CE3 3.99Å; Y301-W352 HydrophobicContact CD1-CZ3 4.1Å; Y301-W352 AromaticContact CD2-CD2 3.55Å; Y301-W352 HydrophobicContact CD2-CD2 3.55Å; Y301-W352 AromaticContact CD2-CE2 3.53Å; Y301-W352 AromaticContact CD2-CE3 3.84Å; Y301-W352 HydrophobicContact CD2-CE3 3.84Å; Y301-W352 HydrophobicContact CD2-CG 4.03Å; Y301-W352 HydrophobicContact CD2-CH2 4.16Å; Y301-W352 AromaticContact CD2-CZ2 3.86Å; Y301-W352 HydrophobicContact CD2-CZ2 3.86Å; Y301-W352 HydrophobicContact CD2-CZ3 4.14Å; Y301-W352 AromaticContact CD2-NE1 3.94Å; Y301-W352 HydrophobicContact CE1-CD2 4.48Å; Y301-W352 HydrophobicContact CE1-CE3 4.12Å; Y301-W352 HydrophobicContact CE2-CB 3.99Å; Y301-W352 AromaticContact CE2-CD1 3.85Å; Y301-W352 AromaticContact CE2-CD2 3.55Å; Y301-W352 HydrophobicContact CE2-CD2 3.55Å; Y301-W352 AromaticContact CE2-CE2 3.91Å; Y301-W352 AromaticContact CE2-CE3 3.99Å; Y301-W352 HydrophobicContact CE2-CE3 3.99Å; Y301-W352 AromaticContact CE2-CG 3.54Å; Y301-W352 HydrophobicContact CE2-CG 3.54Å; Y301-W352 HydrophobicContact CG-CD2 4.05Å; Y301-W352 AromaticContact CG-CE3 3.84Å; Y301-W352 HydrophobicContact CG-CE3 3.84Å; Y301-W352 AromaticContact CG-CH2 3.96Å; Y301-W352 HydrophobicContact CG-CH2 3.96Å; Y301-W352 HydrophobicContact CG-CZ2 4.13Å; Y301-W352 AromaticContact CG-CZ3 3.8Å; Y301-W352 HydrophobicContact CG-CZ3 3.8Å; Y301-W352 AromaticContact CZ-CG 3.99Å; F304-W352 HydrophobicContact CE2-CZ3 4.45Å; Y345-W352 HydrophobicContact CD2-CD2 4.19Å; Y345-W352 AromaticContact CD2-CE3 3.65Å; Y345-W352 HydrophobicContact CD2-CE3 3.65Å; Y345-W352 AromaticContact CD2-CZ3 3.9Å; Y345-W352 HydrophobicContact CD2-CZ3 3.9Å; Y345-W352 HydrophobicContact CE2-CD2 4.39Å; Y345-W352 HydrophobicContact CE2-CE3 4.28Å; V348-W352 HydrophobicContact CG2-CE3 3.79Å; V348-W352 HydrophobicContact CG2-CZ3 4.46Å; V348-W352 PolarHBondContact O-N 2.9Å; W352-S354 VanDerWaalsContact C-N 3.32Å; W352-S354 PolarHBondContact O-N 3.4Å; W352-S355 PolarHBondContact O-N 3.44Å; W352-S355 PolarHBondContact O-OG 2.99Å; W352-K356 PolarHBondContact O-N 2.86Å
353	E	93.1	Very high	84.7	Confident	27 Å²	27	75.3 Å²	75.3	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-30.6	-177.1	-65.1	-64	120.3	0	0	112.6	R296 Y345 K349 V351 K357	R296-E353 IonicContact CZ-OE1 3.3Å; R296-E353 VanDerWaalsContact CZ-OE1 3.3Å; R296-E353 IonicContact CZ-OE2 3.86Å; R296-E353 IonicContact NE-OE1 2.78Å; R296-E353 PolarHBondContact NE-OE1 3.02Å; R296-E353 IonicContact NH2-OE1 3.03Å; R296-E353 PolarHBondContact NH2-OE1 3.46Å; R296-E353 IonicContact NH2-OE2 2.93Å; R296-E353 PolarHBondContact NH2-OE2 3.39Å; Y345-E353 PolarHBondContact OH-OE1 2.94Å; K349-E353 HydrophobicContact CG-CG 4.14Å; K349-E353 VanDerWaalsContact O-CB 3.27Å; K349-E353 WeakPolarHBondContact O-CB 3.31Å; K349-E353 VanDerWaalsContact O-CG 3.24Å; K349-E353 WeakPolarHBondContact O-CG 3.29Å; K349-E353 PolarHBondContact O-N 2.94Å; V351-E353 PolarHBondContact O-N 3.5Å; E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 2.76Å
354	S	89.1	Confident	83.5	Confident	52 Å²	52	80.2 Å²	80.2	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-68	-43.5	174.8	-57.4	0	0	0	0	111.1	R350 V351 W352 K356 K357 H358	R350-S354 WeakPolarHBondContact O-CB 3.21Å; R350-S354 PolarHBondContact O-N 2.86Å; R350-S354 PolarHBondContact O-OG 2.63Å; V351-S354 PolarHBondContact O-N 2.72Å; W352-S354 VanDerWaalsContact C-N 3.32Å; W352-S354 PolarHBondContact O-N 3.4Å; S354-K356 VanDerWaalsContact C-N 3.26Å; S354-K356 PolarHBondContact O-N 2.89Å; S354-K357 PolarHBondContact O-N 3.23Å; S354-K357 VanDerWaalsContact O-N 3.13Å; S354-H358 PolarHBondContact O-CD2 3.11Å; S354-H358 PolarHBondContact O-N 3.07Å; S354-H358 VanDerWaalsContact O-N 3.17Å
355	S	85.5	Confident	82	Confident	54 Å²	54	85.9 Å²	85.9	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-60	-34.5	177.8	75.4	0	0	0	0	113.1	V351 W352 R359	V351-S355 PolarHBondContact O-N 3.34Å; W352-S355 PolarHBondContact O-N 3.44Å; W352-S355 PolarHBondContact O-OG 2.99Å; S355-R359 WeakPolarHBondContact O-CG 3.23Å; S355-R359 PolarHBondContact O-N 2.85Å
356	K	82.3	Confident	80.8	Confident	77 Å²	77	89 Å²	89	34%	0.335	44%	0.44	S	S	.	.	H	α-helix	trans	-71.3	-37.9	176.5	-73.4	-83.7	-174.8	166.1	0	112.1	W352 S354 R359 T360	W352-K356 PolarHBondContact O-N 2.86Å; S354-K356 VanDerWaalsContact C-N 3.26Å; S354-K356 PolarHBondContact O-N 2.89Å; K356-R359 PolarHBondContact O-N 3.17Å; K356-T360 PolarHBondContact O-N 2.84Å; K356-T360 VanDerWaalsContact O-N 3.08Å; K356-T360 PolarHBondContact O-OG1 3.09Å
357	K	77.5	Confident	79.6	Confident	140 Å²	140	93 Å²	93	61%	0.609	45%	0.454	S	S	*	.	H	α-helix	trans	-63.8	-43.5	176.9	-73.2	178.6	-179	-176.2	0	112.3	E353 S354 R359 T360 S361	E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 2.76Å; S354-K357 PolarHBondContact O-N 3.23Å; S354-K357 VanDerWaalsContact O-N 3.13Å; K357-R359 VanDerWaalsContact C-N 3.29Å; K357-R359 PolarHBondContact O-N 2.79Å; K357-T360 WeakPolarHBondContact CA-OG1 3.29Å; K357-T360 PolarHBondContact O-N 3.12Å; K357-T360 VanDerWaalsContact O-N 3.14Å; K357-T360 PolarHBondContact O-OG1 2.83Å; K357-S361 PolarHBondContact O-N 2.86Å; K357-S361 PolarHBondContact O-OG 2.85Å
358	H	67.1	Low	78.4	Confident	134 Å²	134	96.8 Å²	96.8	62%	0.62	46%	0.464	S	S	*	.	H	α-helix	trans	-61.9	-38.1	177.2	-69.7	-64.8	0	0	0	112.3	S354 S361 K362	S354-H358 PolarHBondContact O-CD2 3.11Å; S354-H358 PolarHBondContact O-N 3.07Å; S354-H358 VanDerWaalsContact O-N 3.17Å; H358-S361 PolarHBondContact O-N 3.13Å; H358-K362 WeakPolarHBondContact O-CB 3.4Å; H358-K362 PolarHBondContact O-N 2.94Å
359	R	67.7	Low	77.1	Confident	180 Å²	180	98.6 Å²	98.6	68%	0.679	47%	0.472	S	S	*	.	H	α-helix	trans	-63.6	-43.5	173.5	-67.7	-177.1	77.9	173.8	3.8	111.6	S355 K356 K357 K362 T363	S355-R359 WeakPolarHBondContact O-CG 3.23Å; S355-R359 PolarHBondContact O-N 2.85Å; K356-R359 PolarHBondContact O-N 3.17Å; K357-R359 VanDerWaalsContact C-N 3.29Å; K357-R359 PolarHBondContact O-N 2.79Å; R359-K362 PolarHBondContact O-N 3.4Å; R359-T363 WeakPolarHBondContact O-CB 3.29Å; R359-T363 PolarHBondContact O-N 2.98Å; R359-T363 PolarHBondContact O-OG1 3.12Å
360	T	70.5	Confident	75.8	Confident	80 Å²	80	100.8 Å²	100.8	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-38	177.4	52.9	0	0	0	0	113.1	K356 K357 K364	K356-T360 PolarHBondContact O-N 2.84Å; K356-T360 VanDerWaalsContact O-N 3.08Å; K356-T360 PolarHBondContact O-OG1 3.09Å; K357-T360 WeakPolarHBondContact CA-OG1 3.29Å; K357-T360 PolarHBondContact O-N 3.12Å; K357-T360 VanDerWaalsContact O-N 3.14Å; K357-T360 PolarHBondContact O-OG1 2.83Å; T360-K364 WeakPolarHBondContact O-CB 3.08Å; T360-K364 VanDerWaalsContact O-CG 3.29Å; T360-K364 WeakPolarHBondContact O-CG 3.42Å; T360-K364 PolarHBondContact O-N 3Å
361	S	66.3	Low	74.7	Confident	57 Å²	57	94.7 Å²	94.7	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-65.4	-46.9	175.1	-64.3	0	0	0	0	111	K357 H358 T363 K364 E365	K357-S361 PolarHBondContact O-N 2.86Å; K357-S361 PolarHBondContact O-OG 2.85Å; H358-S361 PolarHBondContact O-N 3.13Å; S361-T363 PolarHBondContact O-N 3.1Å; S361-K364 CarbonylContact O-C 3.54Å; S361-K364 WeakPolarHBondContact O-CA 3.38Å; S361-K364 WeakPolarHBondContact O-CB 3.41Å; S361-K364 PolarHBondContact O-N 2.99Å; S361-E365 PolarHBondContact O-N 2.87Å
362	K	68.1	Low	73.5	Confident	140 Å²	140	92 Å²	92	61%	0.609	45%	0.449	S	S	*	.	H	α-helix	trans	-61.1	-42.3	177.7	-171.7	172.8	-176.7	175.2	0	112.4	H358 R359 K364 E365 V366	H358-K362 WeakPolarHBondContact O-CB 3.4Å; H358-K362 PolarHBondContact O-N 2.94Å; R359-K362 PolarHBondContact O-N 3.4Å; K362-K364 VanDerWaalsContact C-N 3.3Å; K362-K364 PolarHBondContact O-N 3.16Å; K362-E365 PolarHBondContact O-N 2.78Å; K362-V366 VanDerWaalsContact O-CG2 3.27Å; K362-V366 WeakPolarHBondContact O-CG2 3.2Å; K362-V366 PolarHBondContact O-N 3.09Å
363	T	70.5	Confident	71.8	Confident	81 Å²	81	96.2 Å²	96.2	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-34.5	174.9	-57.6	0	0	0	0	112	R359 S361 K367	R359-T363 WeakPolarHBondContact O-CB 3.29Å; R359-T363 PolarHBondContact O-N 2.98Å; R359-T363 PolarHBondContact O-OG1 3.12Å; S361-T363 PolarHBondContact O-N 3.1Å; T363-K367 WeakPolarHBondContact O-CB 3.45Å; T363-K367 WeakPolarHBondContact O-CG 3.43Å; T363-K367 PolarHBondContact O-N 3.32Å
364	K	70.8	Confident	70.6	Confident	158 Å²	158	102.8 Å²	102.8	69%	0.687	50%	0.5	S	S	*	.	H	α-helix	trans	-70.2	-38.6	174.3	-75.8	-179.1	177.7	-162.4	0	112.4	T360 S361 K362 K368	T360-K364 WeakPolarHBondContact O-CB 3.08Å; T360-K364 VanDerWaalsContact O-CG 3.29Å; T360-K364 WeakPolarHBondContact O-CG 3.42Å; T360-K364 PolarHBondContact O-N 3Å; S361-K364 CarbonylContact O-C 3.54Å; S361-K364 WeakPolarHBondContact O-CA 3.38Å; S361-K364 WeakPolarHBondContact O-CB 3.41Å; S361-K364 PolarHBondContact O-N 2.99Å; K362-K364 VanDerWaalsContact C-N 3.3Å; K362-K364 PolarHBondContact O-N 3.16Å; K364-K368 VanDerWaalsContact O-CB 3.27Å; K364-K368 WeakPolarHBondContact O-CB 3.48Å; K364-K368 PolarHBondContact O-N 3.46Å
365	E	67.2	Low	69.7	Low	118 Å²	118	107.1 Å²	107.1	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-47.3	174.2	-76.1	166.6	-173.8	0	0	110.8	S361 K362 K367 K368 N369	S361-E365 PolarHBondContact O-N 2.87Å; K362-E365 PolarHBondContact O-N 2.78Å; E365-K367 PolarHBondContact O-N 2.9Å; E365-K368 WeakPolarHBondContact O-CB 3.22Å; E365-K368 PolarHBondContact O-N 3.12Å; E365-K368 VanDerWaalsContact O-N 3.13Å; E365-N369 WeakPolarHBondContact O-CB 3.4Å; E365-N369 VanDerWaalsContact O-CG 3.28Å; E365-N369 PolarHBondContact O-N 2.89Å; E365-N369 PolarHBondContact O-OD1 3.17Å
366	V	71	Confident	68.3	Low	66 Å²	66	107.7 Å²	107.7	40%	0.4	53%	0.529	S	S	.	.	H	α-helix	trans	-58.3	-48.7	175.9	171.8	0	0	0	0	111.1	K362 K368 N369 E370	K362-V366 VanDerWaalsContact O-CG2 3.27Å; K362-V366 WeakPolarHBondContact O-CG2 3.2Å; K362-V366 PolarHBondContact O-N 3.09Å; V366-K368 VanDerWaalsContact C-N 3.29Å; V366-K368 PolarHBondContact O-N 3.3Å; V366-N369 PolarHBondContact O-N 3.03Å; V366-E370 HydrophobicContact CG1-CG 4.3Å; V366-E370 WeakPolarHBondContact CG1-OE1 3.4Å; V366-E370 WeakPolarHBondContact O-CB 3.41Å; V366-E370 WeakPolarHBondContact O-CG 3.22Å; V366-E370 PolarHBondContact O-N 3.48Å
367	K	71.1	Confident	67.3	Low	126 Å²	126	108.7 Å²	108.7	55%	0.548	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-33.5	176.3	-73.7	-173.2	173.1	-150.9	0	113.6	T363 E365 N371	T363-K367 WeakPolarHBondContact O-CB 3.45Å; T363-K367 WeakPolarHBondContact O-CG 3.43Å; T363-K367 PolarHBondContact O-N 3.32Å; E365-K367 PolarHBondContact O-N 2.9Å; K367-N371 WeakPolarHBondContact O-CB 3.37Å; K367-N371 PolarHBondContact O-N 3.02Å; K367-N371 PolarHBondContact O-ND2 3.35Å; K367-N371 PolarHBondContact O-OD1 2.95Å
368	K	67.7	Low	66.1	Low	134 Å²	134	104.4 Å²	104.4	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-68.7	-41.8	175.6	-173.3	-174.1	176.5	-165.9	0	110.2	K364 E365 V366 N371 L372	K364-K368 VanDerWaalsContact O-CB 3.27Å; K364-K368 WeakPolarHBondContact O-CB 3.48Å; K364-K368 PolarHBondContact O-N 3.46Å; E365-K368 WeakPolarHBondContact O-CB 3.22Å; E365-K368 PolarHBondContact O-N 3.12Å; E365-K368 VanDerWaalsContact O-N 3.13Å; V366-K368 VanDerWaalsContact C-N 3.29Å; V366-K368 PolarHBondContact O-N 3.3Å; K368-N371 PolarHBondContact O-N 2.87Å; K368-L372 HydrophobicContact CG-CD1 4.08Å; K368-L372 WeakPolarHBondContact O-CB 3.29Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.48Å
369	N	66.3	Low	65.3	Low	69 Å²	69	100.9 Å²	100.9	37%	0.369	52%	0.515	S	S	.	.	H	α-helix	trans	-69.4	-42	178.1	-67.8	10.8	0	0	0	111	E365 V366 N371 L372 E373	E365-N369 WeakPolarHBondContact O-CB 3.4Å; E365-N369 VanDerWaalsContact O-CG 3.28Å; E365-N369 PolarHBondContact O-N 2.89Å; E365-N369 PolarHBondContact O-OD1 3.17Å; V366-N369 PolarHBondContact O-N 3.03Å; N369-N371 PolarHBondContact O-N 2.94Å; N369-L372 CarbonylContact O-C 3.6Å; N369-L372 PolarHBondContact O-N 3.45Å; N369-L372 VanDerWaalsContact O-N 3.1Å; N369-E373 WeakPolarHBondContact O-CB 3.48Å; N369-E373 WeakPolarHBondContact O-CG 3.46Å; N369-E373 PolarHBondContact O-N 3.44Å
370	E	66.5	Low	64.7	Low	96 Å²	96	97.4 Å²	97.4	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-57.9	-46.7	171.9	-73.8	168	174	0	0	110.9	V366 L372 E373 E374	V366-E370 HydrophobicContact CG1-CG 4.3Å; V366-E370 WeakPolarHBondContact CG1-OE1 3.4Å; V366-E370 WeakPolarHBondContact O-CB 3.41Å; V366-E370 WeakPolarHBondContact O-CG 3.22Å; V366-E370 PolarHBondContact O-N 3.48Å; E370-L372 VanDerWaalsContact C-N 3.3Å; E370-L372 PolarHBondContact O-N 3.49Å; E370-E373 PolarHBondContact O-N 2.88Å; E370-E374 WeakPolarHBondContact O-CB 3.38Å; E370-E374 PolarHBondContact O-N 3.2Å
371	N	66.8	Low	63.9	Low	91 Å²	91	101.3 Å²	101.3	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-31.2	175.3	-72.4	-5.9	0	0	0	113	K367 K368 N369 Q375	K367-N371 WeakPolarHBondContact O-CB 3.37Å; K367-N371 PolarHBondContact O-N 3.02Å; K367-N371 PolarHBondContact O-ND2 3.35Å; K367-N371 PolarHBondContact O-OD1 2.95Å; K368-N371 PolarHBondContact O-N 2.87Å; N369-N371 PolarHBondContact O-N 2.94Å; N371-Q375 VanDerWaalsContact O-CB 3.31Å; N371-Q375 WeakPolarHBondContact O-CB 3.22Å; N371-Q375 WeakPolarHBondContact O-CG 3.25Å; N371-Q375 PolarHBondContact O-N 3.38Å; N371-Q375 VanDerWaalsContact O-N 3.07Å
372	L	65.2	Low	63.3	Low	40 Å²	40	103.4 Å²	103.4	21%	0.209	53%	0.531	C	S	.	.	H	α-helix	trans	-78.8	-32.5	176.6	-74.6	167	0	0	0	112.1	K368 N369 E370 G376 V377 L378	K368-L372 HydrophobicContact CG-CD1 4.08Å; K368-L372 WeakPolarHBondContact O-CB 3.29Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.48Å; N369-L372 CarbonylContact O-C 3.6Å; N369-L372 PolarHBondContact O-N 3.45Å; N369-L372 VanDerWaalsContact O-N 3.1Å; E370-L372 VanDerWaalsContact C-N 3.3Å; E370-L372 PolarHBondContact O-N 3.49Å; L372-G376 PolarHBondContact O-N 3.28Å; L372-V377 HydrophobicContact CD2-CB 4Å; L372-V377 HydrophobicContact CD2-CG1 4.07Å; L372-V377 HydrophobicContact CD2-CG2 4.38Å; L372-V377 PolarHBondContact O-N 3Å; L372-L378 HydrophobicContact CB-CD1 3.7Å; L372-L378 HydrophobicContact CD1-CD1 3.9Å; L372-L378 HydrophobicContact CG-CD1 4.39Å; L372-L378 PolarHBondContact O-N 3.46Å
373	E	56.4	Low	62.6	Low	100 Å²	100	103.4 Å²	103.4	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-67.3	-45.2	170.6	-77	176.3	-174.4	0	0	110.3	N369 E370 Q375 G376 L378	N369-E373 WeakPolarHBondContact O-CB 3.48Å; N369-E373 WeakPolarHBondContact O-CG 3.46Å; N369-E373 PolarHBondContact O-N 3.44Å; E370-E373 PolarHBondContact O-N 2.88Å; E373-Q375 VanDerWaalsContact C-N 3.32Å; E373-Q375 PolarHBondContact O-N 2.94Å; E373-G376 PolarHBondContact O-N 3.29Å; E373-L378 HydrophobicContact CG-CB 3.89Å
374	E	68.4	Low	61.3	Low	166 Å²	166	105.3 Å²	105.3	78%	0.776	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-34.3	174.1	-79.8	-175.6	173.1	0	0	112.7	E370 G376	E370-E374 WeakPolarHBondContact O-CB 3.38Å; E370-E374 PolarHBondContact O-N 3.2Å; E374-G376 PolarHBondContact O-N 3.49Å
375	Q	70.3	Confident	60.4	Low	143 Å²	143	103.8 Å²	103.8	67%	0.668	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	2.7	174.2	-73.3	179.2	-1.5	0	0	113.6	N371 E373 V377	N371-Q375 VanDerWaalsContact O-CB 3.31Å; N371-Q375 WeakPolarHBondContact O-CB 3.22Å; N371-Q375 WeakPolarHBondContact O-CG 3.25Å; N371-Q375 PolarHBondContact O-N 3.38Å; N371-Q375 VanDerWaalsContact O-N 3.07Å; E373-Q375 VanDerWaalsContact C-N 3.32Å; E373-Q375 PolarHBondContact O-N 2.94Å; Q375-V377 HydrophobicContact CB-CG2 3.94Å; Q375-V377 PolarHBondContact O-N 3.23Å
376	G	56.1	Low	59.7	Low	66 Å²	66	101.6 Å²	101.6	68%	0.68	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	15.1	179.8	0	0	0	0	0	114.6	L372 E373 E374	L372-G376 PolarHBondContact O-N 3.28Å; E373-G376 PolarHBondContact O-N 3.29Å; E374-G376 PolarHBondContact O-N 3.49Å
377	V	61.9	Low	58.6	Low	98 Å²	98	100.2 Å²	100.2	59%	0.594	52%	0.524	S	S	*	.			trans	-87.3	-20.9	-177.3	-174	0	0	0	0	111.7	L372 Q375	L372-V377 HydrophobicContact CD2-CB 4Å; L372-V377 HydrophobicContact CD2-CG1 4.07Å; L372-V377 HydrophobicContact CD2-CG2 4.38Å; L372-V377 PolarHBondContact O-N 3Å; Q375-V377 HydrophobicContact CB-CG2 3.94Å; Q375-V377 PolarHBondContact O-N 3.23Å
378	L	51.4	Low	57.5	Low	50 Å²	50	98 Å²	98	26%	0.262	52%	0.518	S	S	.	.			trans	-107.2	104.7	175.6	-114.3	96.5	0	0	0	111.7	L372 E373	L372-L378 HydrophobicContact CB-CD1 3.7Å; L372-L378 HydrophobicContact CD1-CD1 3.9Å; L372-L378 HydrophobicContact CG-CD1 4.39Å; L372-L378 PolarHBondContact O-N 3.46Å; E373-L378 HydrophobicContact CG-CB 3.89Å
379	S	51.4	Low	56.6	Low	60 Å²	60	98.8 Å²	98.8	42%	0.42	52%	0.523	S	S	.	.			trans	-85	110.7	164.7	172.2	0	0	0	0	109.3	K381 D382	S379-K381 PolarHBondContact O-N 3.34Å; S379-D382 WeakPolarHBondContact CB-OD2 3.46Å; S379-D382 PolarHBondContact O-N 2.88Å; S379-D382 VanDerWaalsContact O-N 3.09Å; S379-D382 PolarHBondContact OG-OD2 2.89Å
380	V	53.9	Low	55.7	Low	107 Å²	107	102.7 Å²	102.7	65%	0.648	54%	0.539	S	S	*	.	H	α-helix	trans	-58.6	-18	179.3	178.7	0	0	0	0	112.8
381	K	54.1	Low	54.7	Low	161 Å²	161	102 Å²	102	70%	0.7	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-36.2	175.9	-86.2	177.6	171.1	178.2	0	112.8	S379 Y384 E385	S379-K381 PolarHBondContact O-N 3.34Å; K381-Y384 PolarHBondContact O-N 2.89Å; K381-E385 PolarHBondContact O-N 2.91Å
382	D	54	Low	53.9	Low	101 Å²	101	103.1 Å²	103.1	54%	0.54	55%	0.547	S	S	.	.	H	α-helix	trans	-79.7	-27.3	-168.4	-54.5	-16.6	0	0	0	112.4	S379 S386	S379-D382 WeakPolarHBondContact CB-OD2 3.46Å; S379-D382 PolarHBondContact O-N 2.88Å; S379-D382 VanDerWaalsContact O-N 3.09Å; S379-D382 PolarHBondContact OG-OD2 2.89Å; D382-S386 WeakPolarHBondContact O-CB 3.37Å; D382-S386 PolarHBondContact O-N 3.42Å; D382-S386 PolarHBondContact O-OG 3.27Å
383	E	53.4	Low	53.3	Low	141 Å²	141	105 Å²	105	66%	0.659	56%	0.563	S	S	*	*	H	α-helix	trans	-71.2	-28.8	172.8	-107.6	-170.2	177.4	0	0	112.7	S386 G387	E383-S386 PolarHBondContact O-OG 3.37Å; E383-G387 PolarHBondContact O-N 3.43Å
384	Y	43.2	Very low	53.1	Low	120 Å²	120	103 Å²	103	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-77.8	-36.3	-178.3	-170.5	-103.4	0	0	0	112.3	K15 K381 L388	K15-Y384 WeakPolarHBondContact CD-OH 3.25Å; K15-Y384 WeakPolarHBondContact CE-OH 3.39Å; K15-Y384 PolarHBondContact NZ-OH 3.32Å; K381-Y384 PolarHBondContact O-N 2.89Å; Y384-L388 HydrophobicContact CD1-CD1 3.97Å; Y384-L388 HydrophobicContact CE1-CD1 3.54Å
385	E	52.5	Low	52.1	Low	126 Å²	126	101.9 Å²	101.9	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-77.3	-41.4	-179.8	-68.3	-177.1	176	0	0	111.9	K381 G387 L388 Q389	K381-E385 PolarHBondContact O-N 2.91Å; E385-G387 PolarHBondContact O-N 3.46Å; E385-L388 PolarHBondContact O-N 3.46Å; E385-Q389 PolarHBondContact O-N 3.08Å
386	S	52.3	Low	51	Low	72 Å²	72	102.5 Å²	102.5	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-37	175.3	53.5	0	0	0	0	113.1	D382 E383 L388	D382-S386 WeakPolarHBondContact O-CB 3.37Å; D382-S386 PolarHBondContact O-N 3.42Å; D382-S386 PolarHBondContact O-OG 3.27Å; E383-S386 PolarHBondContact O-OG 3.37Å; S386-L388 VanDerWaalsContact C-N 3.28Å; S386-L388 PolarHBondContact O-N 3.45Å
387	G	46.8	Very low	50.6	Low	37 Å²	37	103.7 Å²	103.7	38%	0.381	56%	0.561	S	S	.	*	H	α-helix	trans	-70.9	-15.5	175.6	0	0	0	0	0	114.9	E383 E385 V391	E383-G387 PolarHBondContact O-N 3.43Å; E385-G387 PolarHBondContact O-N 3.46Å; G387-V391 WeakPolarHBondContact O-CG2 3.32Å
388	L	49.4	Very low	50.1	Low	80 Å²	80	107.2 Å²	107.2	42%	0.419	57%	0.57	S	S	.	*	H	α-helix	trans	-87	-35.2	176.3	-86.9	163.1	0	0	0	112.3	Y384 E385 S386 V391 I392	Y384-L388 HydrophobicContact CD1-CD1 3.97Å; Y384-L388 HydrophobicContact CE1-CD1 3.54Å; E385-L388 PolarHBondContact O-N 3.46Å; S386-L388 VanDerWaalsContact C-N 3.28Å; S386-L388 PolarHBondContact O-N 3.45Å; L388-V391 PolarHBondContact O-N 3.41Å; L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.17Å
389	Q	49.1	Very low	49.8	Very low	150 Å²	150	113.2 Å²	113.2	70%	0.701	60%	0.597	S	S	*	*	H	α-helix	trans	-68.3	-35.1	178.5	-123.2	102.8	30.7	0	0	113.1	E385 S393	E385-Q389 PolarHBondContact O-N 3.08Å; Q389-S393 PolarHBondContact O-N 2.85Å; Q389-S393 PolarHBondContact O-OG 2.93Å
390	E	47.5	Very low	49.7	Very low	151 Å²	151	119.3 Å²	119.3	71%	0.706	62%	0.619	S	S	*	*	H	α-helix	trans	-71.9	-27.5	179.8	-111.2	-173.7	171.6	0	0	113.3	S393 S394	E390-S393 PolarHBondContact O-OG 3.42Å; E390-S394 PolarHBondContact O-OG 3.39Å
391	V	45.8	Very low	49.1	Very low	81 Å²	81	120 Å²	120	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-83.8	-27.3	-177.2	-176.3	0	0	0	0	111.6	G387 L388 S394 H395	G387-V391 WeakPolarHBondContact O-CG2 3.32Å; L388-V391 PolarHBondContact O-N 3.41Å; V391-S394 PolarHBondContact O-OG 3.26Å; V391-H395 PolarHBondContact O-ND1 2.91Å
392	I	48.3	Very low	48.2	Very low	116 Å²	116	118.4 Å²	118.4	60%	0.595	63%	0.633	S	S	*	*	H	α-helix	trans	-78.7	-39.1	177.6	-64.1	168.9	0	0	0	111	L388 S394 H395	L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.17Å; I392-S394 VanDerWaalsContact C-N 3.28Å; I392-S394 PolarHBondContact O-N 3.48Å; I392-H395 PolarHBondContact O-N 2.81Å
393	S	53.5	Low	47.5	Very low	79 Å²	79	119.5 Å²	119.5	55%	0.552	64%	0.643	S	S	*	*	H	α-helix	trans	-69.4	-24	178.4	49.5	0	0	0	0	113.7	Q389 E390 S397	Q389-S393 PolarHBondContact O-N 2.85Å; Q389-S393 PolarHBondContact O-OG 2.93Å; E390-S393 PolarHBondContact O-OG 3.42Å; S393-S397 PolarHBondContact O-OG 3.25Å
394	S	51.9	Low	46.7	Very low	58 Å²	58	118.5 Å²	118.5	41%	0.406	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88	-13.5	179.6	44.9	0	0	0	0	114.9	E390 V391 I392	E390-S394 PolarHBondContact O-OG 3.39Å; V391-S394 PolarHBondContact O-OG 3.26Å; I392-S394 VanDerWaalsContact C-N 3.28Å; I392-S394 PolarHBondContact O-N 3.48Å
395	H	47.5	Very low	46.7	Very low	143 Å²	143	119.3 Å²	119.3	66%	0.662	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-20.4	178.6	-81.7	74.8	0	0	0	114.5	V391 I392	V391-H395 PolarHBondContact O-ND1 2.91Å; I392-H395 PolarHBondContact O-N 2.81Å
396	N	46.7	Very low	46.3	Very low	155 Å²	155	120.8 Å²	120.8	83%	0.829	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-1.1	-178.5	-103	3.3	0	0	0	115.2
397	S	47.5	Very low	45.8	Very low	92 Å²	92	122.7 Å²	122.7	64%	0.643	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	10.1	-173.8	40.5	0	0	0	0	114.5	S393	S393-S397 PolarHBondContact O-OG 3.25Å
398	Q	52.2	Low	45.9	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	71%	0.714	S	S	*	*			trans	-116.7	14.3	-174.3	-73.3	-172.7	-15.9	0	0	115.9
399	Q	45.8	Very low	45.4	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	73%	0.729	S	S	*	*	S	Bend	trans	-115.4	76.3	172	-68.6	-175.9	9.8	0	0	110.5
400	Q	47.8	Very low	45.4	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	73%	0.731	S	S	*	*	S	Bend	trans	-176.3	140.9	157.5	-101.5	158.5	63.1	0	0	109.1
401	S	41.1	Very low	45.5	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	74%	0.735	S	S	*	*			trans	84.7	91.5	176	75.4	0	0	0	0	118.2
402	T	36.4	Very low	45.8	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	75%	0.753	S	S	*	*			trans	-65.3	129	149.1	47.2	0	0	0	0	110.3
403	T	39.9	Very low	46.4	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	76%	0.763	S	S	*	*			trans	160.6	128.8	135.6	42.6	0	0	0	0	111.5
404	S	35.2	Very low	47.3	Very low	119 Å²	119	142.1 Å²	142.1	83%	0.832	76%	0.759	S	S	*	*			trans	47.9	89.5	149.8	-49.6	0	0	0	0	119.3
405	T	42.9	Very low	48.8	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	77%	0.77	S	S	*	*			trans	-134.2	98	163.8	48.4	0	0	0	0	114.4
406	N	45.8	Very low	50.5	Low	157 Å²	157	143.4 Å²	143.4	84%	0.84	76%	0.757	S	S	*	*			trans	24.4	115.3	130.7	-131.9	-32.8	0	0	0	118.5	K408	N406-K408 PolarHBondContact O-N 3.2Å
407	V	41.7	Very low	52.5	Low	111 Å²	111	142.8 Å²	142.8	67%	0.673	74%	0.743	S	S	*	*			trans	-62.2	101.7	174.9	179	0	0	0	0	110.5	Y409	V407-Y409 HydrophobicContact CG1-CE2 4.48Å; V407-Y409 PolarHBondContact O-N 2.84Å; V407-Y409 VanDerWaalsContact O-N 3.13Å
408	K	47.3	Very low	54.4	Low	205 Å²	205	138.4 Å²	138.4	89%	0.891	71%	0.712	S	S	*	*			trans	-71.6	101.1	171.4	-90.9	177.6	178.5	167.3	0	110.9	N406	N406-K408 PolarHBondContact O-N 3.2Å
409	Y	39.8	Very low	56	Low	190 Å²	190	134.6 Å²	134.6	75%	0.745	70%	0.702	S	S	*	*			trans	-59.4	146.9	164	-67.9	-86.2	0	0	0	111.3	V407 I411	V407-Y409 HydrophobicContact CG1-CE2 4.48Å; V407-Y409 PolarHBondContact O-N 2.84Å; V407-Y409 VanDerWaalsContact O-N 3.13Å; Y409-I411 PolarHBondContact O-N 3.47Å; Y409-I411 VanDerWaalsContact O-N 3.12Å
410	P	48.7	Very low	57.9	Low	113 Å²	113	132 Å²	132	73%	0.734	69%	0.693	S	S	*	*			trans	-65	116.6	-179.3	25.4	-31.7	0	0	0	110.3	H412	P410-H412 PolarHBondContact O-N 3.11Å
411	I	50.4	Low	59.6	Low	157 Å²	157	128.4 Å²	128.4	81%	0.805	67%	0.671	S	S	*	*			trans	-48.3	109.9	177.3	-61.9	167.2	0	0	0	109.7	Y409 K413	Y409-I411 PolarHBondContact O-N 3.47Å; Y409-I411 VanDerWaalsContact O-N 3.12Å; I411-K413 PolarHBondContact O-N 3.04Å
412	H	51.2	Low	61.7	Low	186 Å²	186	128.5 Å²	128.5	86%	0.861	66%	0.662	S	S	*	*			trans	-59.8	102.1	170	-104.7	-102	0	0	0	108.3	P410 S414	P410-H412 PolarHBondContact O-N 3.11Å; H412-S414 PolarHBondContact O-N 3.22Å
413	K	61.4	Low	64.1	Low	184 Å²	184	128.7 Å²	128.7	80%	0.8	65%	0.648	S	S	*	*			trans	-62.7	106.9	173.9	-66.7	-174.6	-178.2	-178	0	108.3	I411 K415	I411-K413 PolarHBondContact O-N 3.04Å; K413-K415 PolarHBondContact O-N 2.66Å
414	S	72.3	Confident	66.3	Low	68 Å²	68	129.7 Å²	129.7	48%	0.476	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-57.2	129.6	178.8	52.5	0	0	0	0	110.9	H412 K427	H412-S414 PolarHBondContact O-N 3.22Å; S414-K427 VanDerWaalsContact OG-CE 3.3Å; S414-K427 WeakPolarHBondContact OG-CE 3.37Å
415	K	83.2	Confident	68.6	Low	147 Å²	147	124.8 Å²	124.8	64%	0.639	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.4	139.9	174	-63.1	-179.4	-177.5	170.6	0	108.8	K413 K424 C425	K413-K415 PolarHBondContact O-N 2.66Å; K415-K424 HydrophobicContact CB-CB 3.93Å; K415-K424 HydrophobicContact CB-CD 4.49Å; K415-K424 HydrophobicContact CD-CB 4.05Å; K415-C425 CarbonylContact C-O 3.55Å; K415-C425 VanDerWaalsContact CA-O 3.23Å; K415-C425 WeakPolarHBondContact CA-O 3.38Å; K415-C425 WeakPolarHBondContact CB-O 3.48Å
416	Q	83.4	Confident	70.7	Confident	81 Å²	81	121 Å²	121	38%	0.379	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	147.6	173.2	-73.1	-175.6	-44.4	0	0	111	K424 C425 K427 M430	Q416-K424 CarbonylContact O-C 3.58Å; Q416-K424 WeakPolarHBondContact O-CA 3.47Å; Q416-C425 PolarHBondContact N-O 2.75Å; Q416-C425 PolarHBondContact O-N 3.33Å; Q416-K427 HydrophobicContact CG-CG 4.04Å; Q416-M430 HydrophobicContact CB-CE 3.84Å
417	W	88.1	Confident	72.6	Confident	141 Å²	141	118.7 Å²	118.7	53%	0.534	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.1	127.8	178.4	-173.2	-109.8	0	0	0	111.8	P419 N422 K424 M430	W417-P419 WeakPolarHBondContact O-CD 3.18Å; W417-N422 WeakPolarHBondContact CZ2-OD1 3.37Å; W417-K424 HydrophobicContact CE3-CG 3.71Å; W417-K424 HydrophobicContact CZ3-CG 4.14Å; W417-M430 WeakPolarHBondContact O-CE 3.37Å
418	D	88.7	Confident	74.5	Confident	1 Å²	1	119.5 Å²	119.5	1%	0.005	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.9	104.4	172.8	-176.8	0.7	0	0	0	109.4	I420 R421 N422 R423 M430 L433 R437	D418-I420 VanDerWaalsContact C-N 3.3Å; D418-I420 PolarHBondContact O-N 3.48Å; D418-I420 PolarHBondContact OD1-N 2.92Å; D418-R421 HydrophobicContact CB-CB 4.37Å; D418-R421 PolarHBondContact O-N 3.25Å; D418-R421 WeakPolarHBondContact OD2-CB 3.5Å; D418-R421 WeakPolarHBondContact OD2-CD 3.36Å; D418-R421 VanDerWaalsContact OD2-CG 3.27Å; D418-R421 WeakPolarHBondContact OD2-CG 3.47Å; D418-N422 WeakPolarHBondContact O-CA 3.35Å; D418-N422 PolarHBondContact O-N 3.09Å; D418-R423 WeakPolarHBondContact CB-O 3.34Å; D418-R423 PolarHBondContact N-O 3.07Å; D418-R423 PolarHBondContact O-N 2.78Å; D418-M430 HydrophobicContact CB-CE 3.9Å; D418-L433 VanDerWaalsContact OD2-CD1 3.22Å; D418-L433 WeakPolarHBondContact OD2-CD1 3.3Å; D418-R437 IonicContact OD1-CZ 3.68Å; D418-R437 IonicContact OD1-NH1 3.63Å; D418-R437 IonicContact OD1-NH2 2.74Å; D418-R437 PolarHBondContact OD1-NH2 2.8Å; D418-R437 IonicContact OD2-NH2 3.66Å
419	P	85.9	Confident	76.3	Confident	91 Å²	91	115.2 Å²	115.2	59%	0.591	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.5	-173.8	24.9	-33.4	0	0	0	112.6	W417 R421	W417-P419 WeakPolarHBondContact O-CD 3.18Å; P419-R421 VanDerWaalsContact C-N 3.34Å; P419-R421 PolarHBondContact O-N 2.75Å
420	I	84.5	Confident	78.5	Confident	123 Å²	123	106.9 Å²	106.9	63%	0.631	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-29.1	-178.7	-52.6	-166.2	0	0	0	111.6	D418 R437	D418-I420 VanDerWaalsContact C-N 3.3Å; D418-I420 PolarHBondContact O-N 3.48Å; D418-I420 PolarHBondContact OD1-N 2.92Å; I420-R437 VanDerWaalsContact CD1-NE 3.33Å
421	R	84.4	Confident	80.5	Confident	111 Å²	111	108.8 Å²	108.8	42%	0.419	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	2.9	-177	-61.6	-173.5	172.7	-172.2	-11.6	113.2	D418 P419 R423	D418-R421 HydrophobicContact CB-CB 4.37Å; D418-R421 PolarHBondContact O-N 3.25Å; D418-R421 WeakPolarHBondContact OD2-CB 3.5Å; D418-R421 WeakPolarHBondContact OD2-CD 3.36Å; D418-R421 VanDerWaalsContact OD2-CG 3.27Å; D418-R421 WeakPolarHBondContact OD2-CG 3.47Å; P419-R421 VanDerWaalsContact C-N 3.34Å; P419-R421 PolarHBondContact O-N 2.75Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 HydrophobicContact CB-CG 4.14Å; R421-R423 PolarHBondContact O-N 2.85Å
422	N	85.6	Confident	82.3	Confident	122 Å²	122	106.8 Å²	106.8	65%	0.652	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	47.5	-179.8	-148.4	29.8	0	0	0	114	W417 D418	W417-N422 WeakPolarHBondContact CZ2-OD1 3.37Å; D418-N422 WeakPolarHBondContact O-CA 3.35Å; D418-N422 PolarHBondContact O-N 3.09Å
423	R	85.1	Confident	84.1	Confident	133 Å²	133	98.3 Å²	98.3	50%	0.502	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.6	-178.5	66.7	-179.3	179.7	178.2	-9.4	115	D418 R421	D418-R423 WeakPolarHBondContact CB-O 3.34Å; D418-R423 PolarHBondContact N-O 3.07Å; D418-R423 PolarHBondContact O-N 2.78Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 HydrophobicContact CB-CG 4.14Å; R421-R423 PolarHBondContact O-N 2.85Å
424	K	86.2	Confident	85.4	Confident	145 Å²	145	93 Å²	93	63%	0.63	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	129.5	171.7	-69.8	-172.3	-179.5	176.4	0	111.9	K415 Q416 W417	K415-K424 HydrophobicContact CB-CB 3.93Å; K415-K424 HydrophobicContact CB-CD 4.49Å; K415-K424 HydrophobicContact CD-CB 4.05Å; Q416-K424 CarbonylContact O-C 3.58Å; Q416-K424 WeakPolarHBondContact O-CA 3.47Å; W417-K424 HydrophobicContact CE3-CG 3.71Å; W417-K424 HydrophobicContact CZ3-CG 4.14Å
425	C	84.8	Confident	86.2	Confident	16 Å²	16	98.9 Å²	98.9	11%	0.108	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	167.2	173.9	75.2	0	0	0	0	111.8	K415 Q416 R429 M430	K415-C425 CarbonylContact C-O 3.55Å; K415-C425 VanDerWaalsContact CA-O 3.23Å; K415-C425 WeakPolarHBondContact CA-O 3.38Å; K415-C425 WeakPolarHBondContact CB-O 3.48Å; Q416-C425 PolarHBondContact N-O 2.75Å; Q416-C425 PolarHBondContact O-N 3.33Å; C425-R429 HydrophobicContact CB-CB 4.1Å; C425-R429 HydrophobicContact CB-CG 3.93Å; C425-M430 VanDerWaalsContact SG-CE 3.57Å
426	S	85.5	Confident	86.4	Confident	60 Å²	60	99 Å²	99	42%	0.42	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	153.8	179.9	62.3	0	0	0	0	112.2	N428 R429 M430	S426-N428 PolarHBondContact O-N 2.62Å; S426-R429 WeakPolarHBondContact O-CA 3.24Å; S426-R429 WeakPolarHBondContact O-CB 3.41Å; S426-R429 PolarHBondContact O-N 3.3Å; S426-R429 WeakPolarHBondContact OG-CB 3.44Å; S426-R429 PolarHBondContact OG-N 2.87Å; S426-M430 PolarHBondContact O-N 2.89Å
427	K	85.9	Confident	86.6	Confident	108 Å²	108	97.8 Å²	97.8	47%	0.47	44%	0.44	S	S	.	.	H	α-helix	trans	-47.9	-44.6	173.8	-76.8	-177.9	175	179.2	0	112.8	S414 Q416 R429 M430 K431	S414-K427 VanDerWaalsContact OG-CE 3.3Å; S414-K427 WeakPolarHBondContact OG-CE 3.37Å; Q416-K427 HydrophobicContact CG-CG 4.04Å; K427-R429 VanDerWaalsContact C-N 3.33Å; K427-R429 PolarHBondContact O-N 3.48Å; K427-M430 WeakPolarHBondContact O-CB 3.45Å; K427-M430 PolarHBondContact O-N 3.36Å; K427-K431 PolarHBondContact O-N 2.97Å
428	N	81.6	Confident	86.5	Confident	127 Å²	127	98.2 Å²	98.2	68%	0.679	45%	0.446	S	S	*	.	H	α-helix	trans	-65.2	-35.7	178.1	-67.4	2	0	0	0	112.6	S426 F432	S426-N428 PolarHBondContact O-N 2.62Å; N428-F432 PolarHBondContact O-N 2.96Å; N428-F432 VanDerWaalsContact O-N 3.17Å
429	R	85.2	Confident	86.2	Confident	116 Å²	116	102.9 Å²	102.9	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-66.9	-40.2	175	-173.6	74.4	-173.8	-162.1	7.7	110.9	C425 S426 K427 F432 L433	C425-R429 HydrophobicContact CB-CB 4.1Å; C425-R429 HydrophobicContact CB-CG 3.93Å; S426-R429 WeakPolarHBondContact O-CA 3.24Å; S426-R429 WeakPolarHBondContact O-CB 3.41Å; S426-R429 PolarHBondContact O-N 3.3Å; S426-R429 WeakPolarHBondContact OG-CB 3.44Å; S426-R429 PolarHBondContact OG-N 2.87Å; K427-R429 VanDerWaalsContact C-N 3.33Å; K427-R429 PolarHBondContact O-N 3.48Å; R429-F432 PolarHBondContact O-N 3.46Å; R429-L433 HydrophobicContact CG-CD1 4.29Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.85Å
430	M	87.6	Confident	85.9	Confident	15 Å²	15	103.8 Å²	103.8	7%	0.074	47%	0.467	C	S	.	.	H	α-helix	trans	-61.9	-48.8	177.3	-166.8	60.2	73.2	0	0	111.6	Q416 W417 D418 C425 S426 K427 F432 L433 N434	Q416-M430 HydrophobicContact CB-CE 3.84Å; W417-M430 WeakPolarHBondContact O-CE 3.37Å; D418-M430 HydrophobicContact CB-CE 3.9Å; C425-M430 VanDerWaalsContact SG-CE 3.57Å; S426-M430 PolarHBondContact O-N 2.89Å; K427-M430 WeakPolarHBondContact O-CB 3.45Å; K427-M430 PolarHBondContact O-N 3.36Å; M430-F432 VanDerWaalsContact C-N 3.31Å; M430-F432 PolarHBondContact O-N 3.35Å; M430-L433 PolarHBondContact O-N 3.44Å; M430-L433 VanDerWaalsContact O-N 3.16Å; M430-N434 PolarHBondContact O-N 2.96Å
431	K	88.8	Confident	85.6	Confident	153 Å²	153	105.2 Å²	105.2	67%	0.665	47%	0.469	S	S	*	.	H	α-helix	trans	-55.2	-45	175.9	-71.9	-173.1	178	-172.6	0	112	K427 N434 R435	K427-K431 PolarHBondContact O-N 2.97Å; K431-N434 PolarHBondContact O-N 3.46Å; K431-R435 PolarHBondContact O-N 3.31Å
432	F	88.9	Confident	85	Confident	115 Å²	115	105.1 Å²	105.1	50%	0.504	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.8	173.9	-94.3	0	0	0	113	N428 R429 M430 R435 R436	N428-F432 PolarHBondContact O-N 2.96Å; N428-F432 VanDerWaalsContact O-N 3.17Å; R429-F432 PolarHBondContact O-N 3.46Å; M430-F432 VanDerWaalsContact C-N 3.31Å; M430-F432 PolarHBondContact O-N 3.35Å; F432-R435 PolarHBondContact O-N 3.15Å; F432-R436 PolarHBondContact O-N 2.73Å; F432-R436 VanDerWaalsContact O-N 3.11Å
433	L	88.4	Confident	84.4	Confident	8 Å²	8	104.4 Å²	104.4	4%	0.042	48%	0.476	C	S	.	.	H	α-helix	trans	-65.4	-41.5	179.8	-69.5	173.3	0	0	0	111.6	D418 R429 M430 R435 R436 R437	D418-L433 VanDerWaalsContact OD2-CD1 3.22Å; D418-L433 WeakPolarHBondContact OD2-CD1 3.3Å; R429-L433 HydrophobicContact CG-CD1 4.29Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.85Å; M430-L433 PolarHBondContact O-N 3.44Å; M430-L433 VanDerWaalsContact O-N 3.16Å; L433-R435 PolarHBondContact O-N 3.18Å; L433-R436 PolarHBondContact O-N 2.66Å; L433-R437 VanDerWaalsContact O-CG 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.42Å; L433-R437 PolarHBondContact O-N 2.81Å
434	N	88.9	Confident	83.5	Confident	71 Å²	71	104.7 Å²	104.7	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.9	-70.8	-11.7	0	0	0	111.9	M430 K431 R436 R437 K438	M430-N434 PolarHBondContact O-N 2.96Å; K431-N434 PolarHBondContact O-N 3.46Å; N434-R436 PolarHBondContact O-N 3.37Å; N434-R437 PolarHBondContact O-N 3.47Å; N434-R437 PolarHBondContact OD1-NH1 2.92Å; N434-K438 PolarHBondContact O-N 2.94Å
435	R	89.7	Confident	82.3	Confident	192 Å²	192	106.2 Å²	106.2	73%	0.725	50%	0.495	S	S	*	.	H	α-helix	trans	-61.2	-44.3	175	-156.5	178.8	-155.3	-178.1	7	111.9	K431 F432 L433 R437 K438 N439	K431-R435 PolarHBondContact O-N 3.31Å; F432-R435 PolarHBondContact O-N 3.15Å; L433-R435 PolarHBondContact O-N 3.18Å; R435-R437 PolarHBondContact O-N 3.33Å; R435-K438 PolarHBondContact O-N 3.4Å; R435-N439 PolarHBondContact O-N 3.46Å; R435-N439 VanDerWaalsContact O-N 3.1Å; R435-N439 PolarHBondContact O-OD1 3Å
436	R	87.5	Confident	80.6	Confident	149 Å²	149	113.8 Å²	113.8	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-64	-39.3	177.8	-170.6	178.4	174.8	124.1	-1.5	112.6	F432 L433 N434 N439 Q440	F432-R436 PolarHBondContact O-N 2.73Å; F432-R436 VanDerWaalsContact O-N 3.11Å; L433-R436 PolarHBondContact O-N 2.66Å; N434-R436 PolarHBondContact O-N 3.37Å; R436-N439 PolarHBondContact O-N 3.39Å; R436-Q440 PolarHBondContact O-N 3.15Å
437	R	88.2	Confident	79.1	Confident	57 Å²	57	120.5 Å²	120.5	22%	0.215	57%	0.567	C	S	.	*	H	α-helix	trans	-64.3	-42.3	176.4	-71.1	167.1	-176.4	162.5	-2.9	111.9	D418 I420 L433 N434 R435 N439 Q440 K441	D418-R437 IonicContact OD1-CZ 3.68Å; D418-R437 IonicContact OD1-NH1 3.63Å; D418-R437 IonicContact OD1-NH2 2.74Å; D418-R437 PolarHBondContact OD1-NH2 2.8Å; D418-R437 IonicContact OD2-NH2 3.66Å; I420-R437 VanDerWaalsContact CD1-NE 3.33Å; L433-R437 VanDerWaalsContact O-CG 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.42Å; L433-R437 PolarHBondContact O-N 2.81Å; N434-R437 PolarHBondContact O-N 3.47Å; N434-R437 PolarHBondContact OD1-NH1 2.92Å; R435-R437 PolarHBondContact O-N 3.33Å; R437-N439 VanDerWaalsContact C-N 3.34Å; R437-Q440 PolarHBondContact O-N 3.31Å; R437-K441 PolarHBondContact O-N 3.21Å
438	K	86.5	Confident	78.8	Confident	150 Å²	150	121.1 Å²	121.1	65%	0.652	57%	0.572	S	S	*	*	H	α-helix	trans	-59.1	-45.6	173.4	-73.7	-171.9	178	-169.5	0	111.3	N434 R435 Q440 K441 N442	N434-K438 PolarHBondContact O-N 2.94Å; R435-K438 PolarHBondContact O-N 3.4Å; K438-Q440 PolarHBondContact O-N 2.9Å; K438-K441 PolarHBondContact O-N 3.5Å; K438-N442 PolarHBondContact O-N 3.21Å; K438-N442 PolarHBondContact O-OD1 3.47Å
439	N	82.2	Confident	78.7	Confident	98 Å²	98	120.8 Å²	120.8	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-63.7	-39.3	178.5	-68.8	11.5	0	0	0	112.6	R435 R436 R437 N442 V443	R435-N439 PolarHBondContact O-N 3.46Å; R435-N439 VanDerWaalsContact O-N 3.1Å; R435-N439 PolarHBondContact O-OD1 3Å; R436-N439 PolarHBondContact O-N 3.39Å; R437-N439 VanDerWaalsContact C-N 3.34Å; N439-N442 PolarHBondContact O-N 2.76Å; N439-V443 WeakPolarHBondContact O-CG2 3.44Å; N439-V443 PolarHBondContact O-N 3.39Å; N439-V443 VanDerWaalsContact O-N 3.09Å
440	Q	78.8	Confident	78.3	Confident	110 Å²	110	121.1 Å²	121.1	51%	0.514	57%	0.574	S	S	.	*	H	α-helix	trans	-65.2	-39.2	175.2	-77.7	-179.8	-32.8	0	0	112.6	R436 R437 K438 N442 V443 N444	R436-Q440 PolarHBondContact O-N 3.15Å; R437-Q440 PolarHBondContact O-N 3.31Å; K438-Q440 PolarHBondContact O-N 2.9Å; Q440-N442 VanDerWaalsContact C-N 3.28Å; Q440-N442 PolarHBondContact O-N 2.94Å; Q440-V443 PolarHBondContact O-N 3.46Å; Q440-N444 PolarHBondContact O-N 3.49Å; Q440-N444 VanDerWaalsContact O-N 3.14Å
441	K	77.5	Confident	77.7	Confident	153 Å²	153	127.3 Å²	127.3	67%	0.665	60%	0.603	S	S	*	*	H	α-helix	trans	-63.2	-33.9	174	-73.8	-171.8	175.5	-167.9	0	112.5	R437 K438 K445	R437-K441 PolarHBondContact O-N 3.21Å; K438-K441 PolarHBondContact O-N 3.5Å; K441-K445 WeakPolarHBondContact O-CB 3.44Å; K441-K445 WeakPolarHBondContact O-CG 3.16Å; K441-K445 PolarHBondContact O-N 3.24Å
442	N	72.6	Confident	77.1	Confident	110 Å²	110	125.7 Å²	125.7	59%	0.588	60%	0.599	S	S	*	*	H	α-helix	trans	-74.6	-30.3	177.1	-70.5	2.7	0	0	0	112.8	K438 N439 Q440	K438-N442 PolarHBondContact O-N 3.21Å; K438-N442 PolarHBondContact O-OD1 3.47Å; N439-N442 PolarHBondContact O-N 2.76Å; Q440-N442 VanDerWaalsContact C-N 3.28Å; Q440-N442 PolarHBondContact O-N 2.94Å
443	V	72.3	Confident	76.3	Confident	106 Å²	106	126.4 Å²	126.4	64%	0.642	61%	0.606	S	S	*	*	H	α-helix	trans	-70.9	-38.2	175	174.4	0	0	0	0	111	N439 Q440 K445	N439-V443 WeakPolarHBondContact O-CG2 3.44Å; N439-V443 PolarHBondContact O-N 3.39Å; N439-V443 VanDerWaalsContact O-N 3.09Å; Q440-V443 PolarHBondContact O-N 3.46Å; V443-K445 PolarHBondContact O-N 3.01Å
444	N	66	Low	75.4	Confident	140 Å²	140	134.9 Å²	134.9	75%	0.749	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	3	178.5	-65.8	6.6	0	0	0	114	Q440	Q440-N444 PolarHBondContact O-N 3.49Å; Q440-N444 VanDerWaalsContact O-N 3.14Å
445	K	60.5	Low	74.4	Confident	177 Å²	177	139.8 Å²	139.8	77%	0.77	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	5.4	177.5	-88.7	-167.7	173.7	-163.6	0	113.3	K441 V443	K441-K445 WeakPolarHBondContact O-CB 3.44Å; K441-K445 WeakPolarHBondContact O-CG 3.16Å; K441-K445 PolarHBondContact O-N 3.24Å; V443-K445 PolarHBondContact O-N 3.01Å
446	K	51.1	Low	73.1	Confident	175 Å²	175	135.4 Å²	135.4	76%	0.761	66%	0.662	S	S	*	*			trans	-80.3	126	165.8	-78.5	-169.9	171.7	-167	0	107.7
447	P	53.9	Low	71.8	Confident	200 Å²	200	134.2 Å²	134.2	100%	1.299	67%	0.671	S	S	*	*			trans	-60.4	0	176.9	27.4	-33.8	0	0	0	111.6

Retrieved 447 of 447 residues in 268.8 ms (Link to these results)

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