A0A077Z9K4_TRITR Loading...

NUC153 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9K4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 620 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	45.1	Very low	71.7	Confident	154 Å²	154	112.9 Å²	112.9	76%	0.759	55%	0.552	S	S	*	*				0	114.2	0	-88.4	174.4	178.9	0	0	108.4	D3 E116	M1-D3 PolarHBondContact O-N 3.12Å; M1-E116 PolarHBondContact N-OE1 3.4Å
2	E	50.4	Low	72.7	Confident	157 Å²	157	111.8 Å²	111.8	73%	0.734	55%	0.545	S	S	*	.			trans	-55.5	131.2	147.6	-71.6	-168.9	138.7	0	0	106.4	V4 K6	E2-V4 PolarHBondContact O-N 3.3Å; E2-K6 HydrophobicContact CB-CD 4.34Å
3	D	64.7	Low	73.6	Confident	105 Å²	105	106.6 Å²	106.6	56%	0.561	52%	0.524	S	S	*	.			trans	-44.3	124.8	177.1	-75.3	-51.9	0	0	0	108.3	M1 T5 K6	M1-D3 PolarHBondContact O-N 3.12Å; D3-T5 HydrophobicContact CB-CG2 4.21Å; D3-T5 WeakPolarHBondContact CB-OG1 3.09Å; D3-T5 PolarHBondContact O-N 3.26Å; D3-K6 HydrophobicContact CB-CG 4.4Å; D3-K6 WeakPolarHBondContact O-CB 3.2Å; D3-K6 PolarHBondContact O-N 3.36Å
4	V	68.6	Low	74	Confident	76 Å²	76	104.3 Å²	104.3	46%	0.461	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-17.3	176.6	-179.5	0	0	0	0	110.9	E2 K6 F10	E2-V4 PolarHBondContact O-N 3.3Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 3.32Å; V4-F10 HydrophobicContact CG1-CB 3.51Å; V4-F10 HydrophobicContact CG1-CD2 4.45Å; V4-F10 HydrophobicContact CG1-CG 4.07Å
5	T	69	Low	74.4	Confident	69 Å²	69	112.7 Å²	112.7	42%	0.423	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20	172.4	75.7	0	0	0	0	114.8	D3 T14	D3-T5 HydrophobicContact CB-CG2 4.21Å; D3-T5 WeakPolarHBondContact CB-OG1 3.09Å; D3-T5 PolarHBondContact O-N 3.26Å; T5-T14 HydrophobicContact CG2-CG2 3.41Å; T5-T14 VanDerWaalsContact CG2-CG2 3.41Å
6	K	76.9	Confident	75	Confident	136 Å²	136	108.5 Å²	108.5	59%	0.591	52%	0.524	S	S	*	.	S	Bend	trans	-82.7	-27.5	179.4	-70.2	-177.9	-178.6	177.6	0	113.6	E2 D3 V4 E8	E2-K6 HydrophobicContact CB-CD 4.34Å; D3-K6 HydrophobicContact CB-CG 4.4Å; D3-K6 WeakPolarHBondContact O-CB 3.2Å; D3-K6 PolarHBondContact O-N 3.36Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 3.32Å; K6-E8 PolarHBondContact O-N 3.34Å
7	D	83.4	Confident	75.6	Confident	51 Å²	51	107.2 Å²	107.2	27%	0.273	53%	0.526	S	S	.	.	S	Bend	trans	-77.2	119.3	175.8	-171.9	-21.5	0	0	0	109.2	R9 F10 A11	D7-R9 PolarHBondContact O-N 3.32Å; D7-R9 VanDerWaalsContact OD1-CB 3.31Å; D7-R9 WeakPolarHBondContact OD1-CB 3.27Å; D7-R9 WeakPolarHBondContact OD1-CG 3.45Å; D7-R9 PolarHBondContact OD1-N 3.1Å; D7-R9 IonicContact OD1-NE 3.35Å; D7-R9 PolarHBondContact OD1-NE 3.21Å; D7-R9 VanDerWaalsContact OD1-NE 3.15Å; D7-R9 IonicContact OD1-NH2 2.65Å; D7-R9 IonicContact OD2-CZ 2.93Å; D7-R9 IonicContact OD2-NE 2.71Å; D7-R9 PolarHBondContact OD2-NE 3.41Å; D7-R9 VanDerWaalsContact OD2-NE 3.13Å; D7-R9 IonicContact OD2-NH2 3.11Å; D7-R9 PolarHBondContact OD2-NH2 2.94Å; D7-F10 HydrophobicContact CB-CD2 3.92Å; D7-F10 CarbonylContact O-C 3.47Å; D7-F10 PolarHBondContact O-N 2.95Å; D7-F10 WeakPolarHBondContact OD2-CD2 3.44Å; D7-A11 PolarHBondContact O-N 3.18Å
8	E	84.1	Confident	75.9	Confident	185 Å²	185	111 Å²	111	86%	0.864	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.3	178.3	-68.8	-172.1	162.3	0	0	112.3	K6 F10	K6-E8 PolarHBondContact O-N 3.34Å; E8-F10 VanDerWaalsContact C-N 3.3Å; E8-F10 PolarHBondContact O-N 3.37Å
9	R	81.1	Confident	76.3	Confident	175 Å²	175	111 Å²	111	66%	0.66	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.6	177.7	-62.5	177.1	-67	178.1	0.8	112.6	D7 H12	D7-R9 PolarHBondContact O-N 3.32Å; D7-R9 VanDerWaalsContact OD1-CB 3.31Å; D7-R9 WeakPolarHBondContact OD1-CB 3.27Å; D7-R9 WeakPolarHBondContact OD1-CG 3.45Å; D7-R9 PolarHBondContact OD1-N 3.1Å; D7-R9 IonicContact OD1-NE 3.35Å; D7-R9 PolarHBondContact OD1-NE 3.21Å; D7-R9 VanDerWaalsContact OD1-NE 3.15Å; D7-R9 IonicContact OD1-NH2 2.65Å; D7-R9 IonicContact OD2-CZ 2.93Å; D7-R9 IonicContact OD2-NE 2.71Å; D7-R9 PolarHBondContact OD2-NE 3.41Å; D7-R9 VanDerWaalsContact OD2-NE 3.13Å; D7-R9 IonicContact OD2-NH2 3.11Å; D7-R9 PolarHBondContact OD2-NH2 2.94Å; R9-H12 PolarHBondContact O-CE1 3.26Å; R9-H12 PolarHBondContact O-ND1 3.1Å; R9-H12 VanDerWaalsContact O-ND1 3.12Å
10	F	82.5	Confident	76.4	Confident	92 Å²	92	115.3 Å²	115.3	40%	0.404	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	0.1	-174.9	-55.8	-71.1	0	0	0	114.1	V4 D7 E8 H12 V13	V4-F10 HydrophobicContact CG1-CB 3.51Å; V4-F10 HydrophobicContact CG1-CD2 4.45Å; V4-F10 HydrophobicContact CG1-CG 4.07Å; D7-F10 HydrophobicContact CB-CD2 3.92Å; D7-F10 CarbonylContact O-C 3.47Å; D7-F10 PolarHBondContact O-N 2.95Å; D7-F10 WeakPolarHBondContact OD2-CD2 3.44Å; E8-F10 VanDerWaalsContact C-N 3.3Å; E8-F10 PolarHBondContact O-N 3.37Å; F10-H12 PolarHBondContact O-N 3.39Å; F10-H12 VanDerWaalsContact O-N 3.09Å; F10-V13 HydrophobicContact CB-CG2 4.14Å; F10-V13 HydrophobicContact CD1-CG2 4.28Å; F10-V13 VanDerWaalsContact O-CB 3.25Å; F10-V13 WeakPolarHBondContact O-CB 3.27Å; F10-V13 WeakPolarHBondContact O-CG2 3.5Å; F10-V13 PolarHBondContact O-N 3.47Å
11	A	82.7	Confident	76.6	Confident	42 Å²	42	114.2 Å²	114.2	35%	0.347	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-51.6	-36.6	176.3	0	0	0	0	0	113	D7 V13 T14	D7-A11 PolarHBondContact O-N 3.18Å; A11-V13 VanDerWaalsContact C-N 3.28Å; A11-V13 PolarHBondContact O-N 3.22Å; A11-T14 PolarHBondContact O-OG1 3.46Å
12	H	83.9	Confident	78.3	Confident	99 Å²	99	112.8 Å²	112.8	46%	0.458	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.2	178.2	69.3	-83.8	0	0	0	114	R9 F10 T14 W15 D16	R9-H12 PolarHBondContact O-CE1 3.26Å; R9-H12 PolarHBondContact O-ND1 3.1Å; R9-H12 VanDerWaalsContact O-ND1 3.12Å; F10-H12 PolarHBondContact O-N 3.39Å; F10-H12 VanDerWaalsContact O-N 3.09Å; H12-T14 PolarHBondContact O-N 2.91Å; H12-W15 PolarHBondContact O-N 3.02Å; H12-W15 VanDerWaalsContact O-N 3.17Å; H12-D16 WeakPolarHBondContact O-CB 3.38Å; H12-D16 PolarHBondContact O-N 3.11Å
13	V	84.2	Confident	79.9	Confident	45 Å²	45	108 Å²	108	27%	0.273	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-63.3	-31.5	-177.8	177.3	0	0	0	0	111.6	F10 A11 F19	F10-V13 HydrophobicContact CB-CG2 4.14Å; F10-V13 HydrophobicContact CD1-CG2 4.28Å; F10-V13 VanDerWaalsContact O-CB 3.25Å; F10-V13 WeakPolarHBondContact O-CB 3.27Å; F10-V13 WeakPolarHBondContact O-CG2 3.5Å; F10-V13 PolarHBondContact O-N 3.47Å; A11-V13 VanDerWaalsContact C-N 3.28Å; A11-V13 PolarHBondContact O-N 3.22Å; V13-F19 HydrophobicContact CB-CD2 4.19Å; V13-F19 HydrophobicContact CB-CG 4.45Å; V13-F19 HydrophobicContact CG1-CB 3.72Å; V13-F19 HydrophobicContact CG1-CD1 4.31Å; V13-F19 HydrophobicContact CG1-CD2 4.01Å; V13-F19 HydrophobicContact CG1-CG 3.77Å; V13-F19 HydrophobicContact CG2-CD2 4.19Å; V13-F19 HydrophobicContact CG2-CE2 4.17Å; V13-F19 WeakPolarHBondContact O-CB 3.33Å
14	T	79.4	Confident	80.6	Confident	74 Å²	74	108.5 Å²	108.5	45%	0.454	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-71.7	-29.6	177.9	58.9	0	0	0	0	114.2	T5 A11 H12	T5-T14 HydrophobicContact CG2-CG2 3.41Å; T5-T14 VanDerWaalsContact CG2-CG2 3.41Å; A11-T14 PolarHBondContact O-OG1 3.46Å; H12-T14 PolarHBondContact O-N 2.91Å
15	W	79.4	Confident	81.2	Confident	230 Å²	230	113.4 Å²	113.4	87%	0.871	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-24.5	-174.9	-98.3	55.1	0	0	0	113	H12 P17	H12-W15 PolarHBondContact O-N 3.02Å; H12-W15 VanDerWaalsContact O-N 3.17Å; W15-P17 WeakPolarHBondContact O-CD 3.38Å
16	D	84.9	Confident	81.9	Confident	46 Å²	46	114.2 Å²	114.2	25%	0.246	54%	0.541	C	S	.	.			trans	-73.2	117.8	-178.1	-179.1	-5.4	0	0	0	109.6	H12 K18 F19	H12-D16 WeakPolarHBondContact O-CB 3.38Å; H12-D16 PolarHBondContact O-N 3.11Å; D16-K18 PolarHBondContact O-N 3.16Å; D16-K18 WeakPolarHBondContact OD1-CB 3.49Å; D16-K18 PolarHBondContact OD1-N 3.15Å; D16-F19 HydrophobicContact CB-CD2 3.85Å; D16-F19 HydrophobicContact CB-CE2 4.17Å; D16-F19 PolarHBondContact O-N 3.38Å
17	P	84.4	Confident	82.3	Confident	87 Å²	87	113.3 Å²	113.3	57%	0.565	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.5	-178.2	23.6	-34.3	0	0	0	113.2	W15 F19 R20	W15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-F19 PolarHBondContact O-N 3.36Å; P17-R20 PolarHBondContact O-N 3.37Å
18	K	81.8	Confident	82.5	Confident	175 Å²	175	113.5 Å²	113.5	76%	0.761	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29	172.7	-77	178	174.7	174.3	0	113.9	D16	D16-K18 PolarHBondContact O-N 3.16Å; D16-K18 WeakPolarHBondContact OD1-CB 3.49Å; D16-K18 PolarHBondContact OD1-N 3.15Å
19	F	82.7	Confident	82.7	Confident	111 Å²	111	109 Å²	109	49%	0.487	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.7	-177.3	-52.7	-76.1	0	0	0	113.1	V13 D16 P17 S21	V13-F19 HydrophobicContact CB-CD2 4.19Å; V13-F19 HydrophobicContact CB-CG 4.45Å; V13-F19 HydrophobicContact CG1-CB 3.72Å; V13-F19 HydrophobicContact CG1-CD1 4.31Å; V13-F19 HydrophobicContact CG1-CD2 4.01Å; V13-F19 HydrophobicContact CG1-CG 3.77Å; V13-F19 HydrophobicContact CG2-CD2 4.19Å; V13-F19 HydrophobicContact CG2-CE2 4.17Å; V13-F19 WeakPolarHBondContact O-CB 3.33Å; D16-F19 HydrophobicContact CB-CD2 3.85Å; D16-F19 HydrophobicContact CB-CE2 4.17Å; D16-F19 PolarHBondContact O-N 3.38Å; P17-F19 PolarHBondContact O-N 3.36Å; F19-S21 PolarHBondContact O-N 3.28Å
20	R	78	Confident	83	Confident	197 Å²	197	107.7 Å²	107.7	74%	0.743	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.4	119.2	170.9	-102.8	-179.5	160.3	173.2	-5.3	109.5	P17	P17-R20 PolarHBondContact O-N 3.37Å
21	S	81.1	Confident	83.2	Confident	93 Å²	93	104.3 Å²	104.3	65%	0.65	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-67.6	145.2	172.2	58.5	0	0	0	0	110.5	F19	F19-S21 PolarHBondContact O-N 3.28Å
22	M	81.7	Confident	83.4	Confident	123 Å²	123	105.5 Å²	105.5	61%	0.606	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.1	133.6	174.6	-71.7	-68.3	-68.8	0	0	109.2	I24 D26	M22-I24 PolarHBondContact O-N 3.12Å; M22-D26 HydrophobicContact CE-CB 3.85Å
23	P	83.7	Confident	83.4	Confident	58 Å²	58	104.7 Å²	104.7	38%	0.377	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-52.1	141.2	175.4	-25.1	33.3	0	0	0	111.2	R25 D26 R27	P23-R25 HydrophobicContact CB-CG 3.74Å; P23-R25 PolarHBondContact O-N 2.63Å; P23-D26 WeakPolarHBondContact CG-OD2 3.46Å; P23-D26 PolarHBondContact O-N 2.93Å; P23-R27 PolarHBondContact O-N 3.38Å
24	I	79.3	Confident	83.4	Confident	114 Å²	114	111.9 Å²	111.9	59%	0.585	52%	0.524	S	S	*	.	H	α-helix	trans	-53	-35.9	-177	-61.6	170.7	0	0	0	111.7	M22 D26 R27 K28	M22-I24 PolarHBondContact O-N 3.12Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 3.46Å; I24-R27 PolarHBondContact O-N 3.49Å; I24-K28 HydrophobicContact CG2-CD 4.14Å; I24-K28 HydrophobicContact CG2-CG 4.33Å; I24-K28 WeakPolarHBondContact O-CG 3.48Å; I24-K28 PolarHBondContact O-N 3.04Å
25	R	81.9	Confident	83.7	Confident	179 Å²	179	113.4 Å²	113.4	68%	0.675	52%	0.524	S	S	*	.	H	α-helix	trans	-60.7	-32.3	175.8	58.4	172	-174	141.7	3.1	114.5	P23	P23-R25 HydrophobicContact CB-CG 3.74Å; P23-R25 PolarHBondContact O-N 2.63Å
26	D	82.9	Confident	84	Confident	86 Å²	86	106.6 Å²	106.6	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-92.4	-22.8	179.9	-57.9	-31.8	0	0	0	110.5	M22 P23 I24	M22-D26 HydrophobicContact CE-CB 3.85Å; P23-D26 WeakPolarHBondContact CG-OD2 3.46Å; P23-D26 PolarHBondContact O-N 2.93Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 3.46Å
27	R	85.5	Confident	84	Confident	117 Å²	117	106.3 Å²	106.3	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-72.3	-34.2	173.7	-165	175	81.9	164.3	7.1	112.5	P23 I24 E111	P23-R27 PolarHBondContact O-N 3.38Å; I24-R27 PolarHBondContact O-N 3.49Å; R27-E111 IonicContact NH1-OE2 3.15Å
28	K	88.1	Confident	84.1	Confident	55 Å²	55	103.9 Å²	103.9	24%	0.239	49%	0.486	C	S	.	.	S	Bend	trans	-89.8	135	-177.9	-65.8	-173.5	-178.6	-160.5	0	112.4	I24 R66 F68 D70	I24-K28 HydrophobicContact CG2-CD 4.14Å; I24-K28 HydrophobicContact CG2-CG 4.33Å; I24-K28 WeakPolarHBondContact O-CG 3.48Å; I24-K28 PolarHBondContact O-N 3.04Å; K28-R66 VanDerWaalsContact CE-O 3.24Å; K28-R66 WeakPolarHBondContact CE-O 3.47Å; K28-R66 PolarHBondContact NZ-O 2.81Å; K28-F68 CarbonylContact C-O 3.6Å; K28-F68 WeakPolarHBondContact CA-O 3.34Å; K28-D70 HydrophobicContact CB-CB 3.97Å; K28-D70 HydrophobicContact CD-CB 4.21Å
29	V	87.6	Confident	84.3	Confident	90 Å²	90	96.1 Å²	96.1	55%	0.545	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.1	174.8	178.8	0	0	0	0	109.5	I31 F68 Y69 D70	V29-I31 PolarHBondContact O-N 2.75Å; V29-F68 PolarHBondContact N-O 3.09Å; V29-Y69 HydrophobicContact CB-CD1 3.86Å; V29-Y69 HydrophobicContact CB-CE1 4.17Å; V29-Y69 HydrophobicContact CG1-CD1 4.28Å; V29-Y69 HydrophobicContact CG1-CE1 4.39Å; V29-Y69 VanDerWaalsContact O-CA 3.28Å; V29-Y69 WeakPolarHBondContact O-CA 3.12Å; V29-D70 PolarHBondContact O-N 2.89Å
30	K	88.1	Confident	84.4	Confident	149 Å²	149	95.3 Å²	95.3	65%	0.648	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	119.1	174.9	-67.3	-178.2	179.7	-178.5	0	110.4	D70	K30-D70 CarbonylContact C-O 3.57Å; K30-D70 WeakPolarHBondContact CA-O 3.37Å
31	I	84.9	Confident	84.8	Confident	21 Å²	21	88.8 Å²	88.8	11%	0.108	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.4	174.2	-43.2	168.3	0	0	0	111.2	V29 F35 M38 F39 Y69 D70 S72	V29-I31 PolarHBondContact O-N 2.75Å; I31-F35 HydrophobicContact CB-CB 4.48Å; I31-F35 HydrophobicContact CG2-CB 3.43Å; I31-F35 VanDerWaalsContact CG2-CB 3.43Å; I31-F35 HydrophobicContact CG2-CD2 3.24Å; I31-F35 HydrophobicContact CG2-CE2 4.09Å; I31-F35 HydrophobicContact CG2-CG 3.5Å; I31-F35 VanDerWaalsContact CG2-CG 3.5Å; I31-M38 HydrophobicContact CD1-CE 3.67Å; I31-F39 HydrophobicContact CD1-CE2 4.35Å; I31-F39 HydrophobicContact CD1-CZ 4.42Å; I31-Y69 HydrophobicContact CD1-CD1 3.34Å; I31-Y69 HydrophobicContact CD1-CD2 3.9Å; I31-Y69 HydrophobicContact CD1-CE1 4.07Å; I31-Y69 HydrophobicContact CD1-CG 3.25Å; I31-Y69 HydrophobicContact CG1-CD1 3.37Å; I31-Y69 HydrophobicContact CG1-CE1 4.15Å; I31-Y69 HydrophobicContact CG1-CG 3.76Å; I31-D70 PolarHBondContact N-O 2.73Å; I31-S72 PolarHBondContact O-N 3.14Å; I31-S72 PolarHBondContact O-OG 2.93Å
32	D	87.6	Confident	84.9	Confident	67 Å²	67	88.9 Å²	88.9	36%	0.358	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.4	145	169	-178.8	-7	0	0	0	112.2	R34 F35	D32-R34 PolarHBondContact O-N 2.75Å; D32-R34 PolarHBondContact OD1-N 3.31Å; D32-R34 IonicContact OD1-NE 2.73Å; D32-R34 IonicContact OD2-CZ 2.73Å; D32-R34 VanDerWaalsContact OD2-CZ 3.24Å; D32-R34 IonicContact OD2-NE 2.75Å; D32-R34 PolarHBondContact OD2-NE 3Å; D32-R34 IonicContact OD2-NH2 3.24Å; D32-R34 PolarHBondContact OD2-NH2 3.04Å; D32-F35 HydrophobicContact CB-CD2 4.11Å; D32-F35 HydrophobicContact CB-CE2 4.29Å; D32-F35 WeakPolarHBondContact O-CD2 3.22Å; D32-F35 PolarHBondContact O-N 2.86Å
33	N	84	Confident	85	Confident	81 Å²	81	87.5 Å²	87.5	43%	0.433	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-52.6	-25.5	179.9	-73.5	-18.8	0	0	0	114.5	F35 K36 S72	N33-F35 PolarHBondContact O-N 2.84Å; N33-F35 VanDerWaalsContact O-N 3.12Å; N33-K36 VanDerWaalsContact O-CB 3.27Å; N33-K36 WeakPolarHBondContact O-CB 3.4Å; N33-K36 PolarHBondContact O-N 2.95Å; N33-S72 PolarHBondContact OD1-O 3.29Å
34	R	84.3	Confident	85	Confident	197 Å²	197	89.5 Å²	89.5	74%	0.743	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.4	174.9	-68.6	-177.9	-71.8	165.2	-0.9	113.4	D32	D32-R34 PolarHBondContact O-N 2.75Å; D32-R34 PolarHBondContact OD1-N 3.31Å; D32-R34 IonicContact OD1-NE 2.73Å; D32-R34 IonicContact OD2-CZ 2.73Å; D32-R34 VanDerWaalsContact OD2-CZ 3.24Å; D32-R34 IonicContact OD2-NE 2.75Å; D32-R34 PolarHBondContact OD2-NE 3Å; D32-R34 IonicContact OD2-NH2 3.24Å; D32-R34 PolarHBondContact OD2-NH2 3.04Å
35	F	85.8	Confident	85.1	Confident	106 Å²	106	88.5 Å²	88.5	47%	0.465	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-98.3	7.8	179.1	-57.1	-86.8	0	0	0	113.1	I31 D32 N33 A37 M38	I31-F35 HydrophobicContact CB-CB 4.48Å; I31-F35 HydrophobicContact CG2-CB 3.43Å; I31-F35 VanDerWaalsContact CG2-CB 3.43Å; I31-F35 HydrophobicContact CG2-CD2 3.24Å; I31-F35 HydrophobicContact CG2-CE2 4.09Å; I31-F35 HydrophobicContact CG2-CG 3.5Å; I31-F35 VanDerWaalsContact CG2-CG 3.5Å; D32-F35 HydrophobicContact CB-CD2 4.11Å; D32-F35 HydrophobicContact CB-CE2 4.29Å; D32-F35 WeakPolarHBondContact O-CD2 3.22Å; D32-F35 PolarHBondContact O-N 2.86Å; N33-F35 PolarHBondContact O-N 2.84Å; N33-F35 VanDerWaalsContact O-N 3.12Å; F35-A37 PolarHBondContact O-N 2.85Å; F35-M38 WeakPolarHBondContact O-CB 3.38Å; F35-M38 PolarHBondContact O-N 3.19Å
36	K	85.1	Confident	84.8	Confident	87 Å²	87	83.5 Å²	83.5	38%	0.378	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.5	172.1	-170.5	167	179.6	168.3	0	111.6	N33 M38 F39 L71 D75	N33-K36 VanDerWaalsContact O-CB 3.27Å; N33-K36 WeakPolarHBondContact O-CB 3.4Å; N33-K36 PolarHBondContact O-N 2.95Å; K36-M38 PolarHBondContact O-N 3.16Å; K36-M38 VanDerWaalsContact O-N 3.16Å; K36-F39 PolarHBondContact O-N 3.13Å; K36-F39 VanDerWaalsContact O-N 3.13Å; K36-L71 HydrophobicContact CB-CD2 4.09Å; K36-L71 HydrophobicContact CG-CD1 4.29Å; K36-L71 HydrophobicContact CG-CD2 4.37Å; K36-D75 IonicContact NZ-OD2 3.98Å; K36-D75 PolarHBondContact NZ-OD2 2.88Å
37	A	85.1	Confident	84.4	Confident	39 Å²	39	86.6 Å²	86.6	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-24.7	173.2	0	0	0	0	0	113.7	F35 F39 T40 D41 F44	F35-A37 PolarHBondContact O-N 2.85Å; A37-F39 PolarHBondContact O-N 3.27Å; A37-T40 PolarHBondContact O-N 2.84Å; A37-D41 HydrophobicContact CB-CB 4.36Å; A37-D41 VanDerWaalsContact O-CB 3.22Å; A37-D41 WeakPolarHBondContact O-CB 3.48Å; A37-D41 PolarHBondContact O-N 3.27Å; A37-F44 HydrophobicContact CB-CE2 4.32Å; A37-F44 WeakPolarHBondContact O-CD2 3.38Å
38	M	85.9	Confident	83.9	Confident	37 Å²	37	85.6 Å²	85.6	18%	0.182	44%	0.438	C	S	.	.	H	α-helix	trans	-65.1	-25	178.6	-159.5	178.4	61.5	0	0	112.5	I31 F35 K36 F44 L65 Y69	I31-M38 HydrophobicContact CD1-CE 3.67Å; F35-M38 WeakPolarHBondContact O-CB 3.38Å; F35-M38 PolarHBondContact O-N 3.19Å; K36-M38 PolarHBondContact O-N 3.16Å; K36-M38 VanDerWaalsContact O-N 3.16Å; M38-F44 HydrophobicContact CB-CG 4.43Å; M38-F44 HydrophobicContact CG-CB 4.28Å; M38-F44 HydrophobicContact CG-CD1 3.98Å; M38-F44 HydrophobicContact CG-CG 4.09Å; M38-F44 WeakPolarHBondContact O-CB 3.45Å; M38-L65 HydrophobicContact CE-CD1 4.03Å; M38-L65 HydrophobicContact CE-CD2 3.59Å; M38-L65 HydrophobicContact CE-CG 4.25Å; M38-L65 HydrophobicContact CG-CD1 3.85Å; M38-L65 WeakPolarHBondContact O-CD1 3.48Å; M38-L65 HydrophobicContact SD-CD1 4.41Å; M38-L65 HydrophobicContact SD-CD2 4.13Å; M38-Y69 HydrophobicContact CE-CD2 3.97Å; M38-Y69 HydrophobicContact CE-CE2 4.1Å
39	F	86.5	Confident	83.2	Confident	11 Å²	11	88 Å²	88	5%	0.048	46%	0.458	C	S	.	.	H	α-helix	trans	-90.2	-29.5	176.7	-60.7	-86	0	0	0	112.6	I31 K36 A37 E62 L65 R66 L71	I31-F39 HydrophobicContact CD1-CE2 4.35Å; I31-F39 HydrophobicContact CD1-CZ 4.42Å; K36-F39 PolarHBondContact O-N 3.13Å; K36-F39 VanDerWaalsContact O-N 3.13Å; A37-F39 PolarHBondContact O-N 3.27Å; F39-E62 HydrophobicContact CB-CG 4.38Å; F39-E62 HydrophobicContact CD1-CG 4.17Å; F39-L65 HydrophobicContact CD1-CB 4Å; F39-L65 HydrophobicContact CE1-CB 3.55Å; F39-L65 HydrophobicContact CZ-CB 4.29Å; F39-R66 HydrophobicContact CD1-CG 4.07Å; F39-R66 HydrophobicContact CE1-CG 3.87Å; F39-L71 HydrophobicContact CD2-CD1 3.99Å; F39-L71 HydrophobicContact CD2-CD2 4.36Å; F39-L71 HydrophobicContact CD2-CG 4.34Å; F39-L71 HydrophobicContact CE2-CD1 4.04Å; F39-L71 HydrophobicContact CE2-CD2 4.02Å; F39-L71 HydrophobicContact CE2-CG 3.91Å
40	T	84.5	Confident	83	Confident	95 Å²	95	87.3 Å²	87.3	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-107.1	-32.3	-169.9	58.8	0	0	0	0	115.1	A37	A37-T40 PolarHBondContact O-N 2.84Å
41	D	86.5	Confident	82.5	Confident	59 Å²	59	83.5 Å²	83.5	32%	0.316	44%	0.44	S	S	.	.			trans	-80	126.8	-171.9	-178.2	-16.9	0	0	0	109.9	A37 S43 F44	A37-D41 HydrophobicContact CB-CB 4.36Å; A37-D41 VanDerWaalsContact O-CB 3.22Å; A37-D41 WeakPolarHBondContact O-CB 3.48Å; A37-D41 PolarHBondContact O-N 3.27Å; D41-S43 PolarHBondContact O-N 3.04Å; D41-S43 VanDerWaalsContact OD1-CB 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.28Å; D41-S43 PolarHBondContact OD1-N 2.89Å; D41-S43 PolarHBondContact OD1-OG 2.98Å; D41-F44 HydrophobicContact CB-CD2 3.93Å; D41-F44 HydrophobicContact CB-CE2 4.26Å; D41-F44 PolarHBondContact O-N 3.42Å
42	P	84.5	Confident	82.4	Confident	95 Å²	95	93.2 Å²	93.2	62%	0.617	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.3	176.8	-25.5	33.1	0	0	0	113.7	F44 Q45	P42-F44 PolarHBondContact O-N 2.65Å; P42-Q45 PolarHBondContact O-N 2.64Å
43	S	84.1	Confident	82.3	Confident	95 Å²	95	100.5 Å²	100.5	66%	0.664	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-24	175.5	-49.4	0	0	0	0	113.4	D41	D41-S43 PolarHBondContact O-N 3.04Å; D41-S43 VanDerWaalsContact OD1-CB 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.28Å; D41-S43 PolarHBondContact OD1-N 2.89Å; D41-S43 PolarHBondContact OD1-OG 2.98Å
44	F	82.5	Confident	82.3	Confident	100 Å²	100	99.4 Å²	99.4	44%	0.439	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8	175.9	-58.9	-81.8	0	0	0	113.3	A37 M38 D41 P42 V46	A37-F44 HydrophobicContact CB-CE2 4.32Å; A37-F44 WeakPolarHBondContact O-CD2 3.38Å; M38-F44 HydrophobicContact CB-CG 4.43Å; M38-F44 HydrophobicContact CG-CB 4.28Å; M38-F44 HydrophobicContact CG-CD1 3.98Å; M38-F44 HydrophobicContact CG-CG 4.09Å; M38-F44 WeakPolarHBondContact O-CB 3.45Å; D41-F44 HydrophobicContact CB-CD2 3.93Å; D41-F44 HydrophobicContact CB-CE2 4.26Å; D41-F44 PolarHBondContact O-N 3.42Å; P42-F44 PolarHBondContact O-N 2.65Å; F44-V46 PolarHBondContact O-N 3.43Å
45	Q	81.2	Confident	82.2	Confident	92 Å²	92	98 Å²	98	43%	0.43	51%	0.506	S	S	.	.			trans	-81.3	114	175.2	-67.3	-178.4	-6.3	0	0	109.8	P42 T61	P42-Q45 PolarHBondContact O-N 2.64Å; Q45-T61 VanDerWaalsContact CA-OG1 3.31Å; Q45-T61 WeakPolarHBondContact CA-OG1 3.31Å
46	V	76.7	Confident	81.9	Confident	74 Å²	74	97.9 Å²	97.9	45%	0.448	52%	0.516	S	S	.	.			trans	-116.8	125	175.3	-171.6	0	0	0	0	108.2	F44 F48 T61	F44-V46 PolarHBondContact O-N 3.43Å; V46-F48 HydrophobicContact CB-CD1 4.1Å; V46-F48 HydrophobicContact CB-CE1 3.43Å; V46-F48 VanDerWaalsContact CB-CE1 3.43Å; V46-F48 HydrophobicContact CB-CZ 3.69Å; V46-F48 HydrophobicContact CG1-CD1 3.56Å; V46-F48 HydrophobicContact CG1-CE1 3.27Å; V46-F48 HydrophobicContact CG1-CZ 4.07Å; V46-F48 HydrophobicContact CG2-CE1 4.3Å; V46-F48 HydrophobicContact CG2-CZ 4.5Å; V46-F48 PolarHBondContact O-N 3.3Å; V46-T61 HydrophobicContact CB-CG2 3.94Å; V46-T61 HydrophobicContact CG2-CG2 4.45Å; V46-T61 VanDerWaalsContact N-CG2 3.33Å; V46-T61 PolarHBondContact N-OG1 3.27Å; V46-T61 WeakPolarHBondContact O-CG2 3.39Å; V46-T61 PolarHBondContact O-OG1 2.86Å
47	D	73.6	Confident	81.2	Confident	151 Å²	151	96.3 Å²	96.3	81%	0.807	51%	0.509	S	S	*	.			trans	-84.3	96.7	175.3	-60.9	-31.9	0	0	0	108.9
48	F	74.3	Confident	80.4	Confident	97 Å²	97	103 Å²	103	43%	0.425	53%	0.533	S	S	.	.			trans	-94	113.6	166.7	-17.9	-83.7	0	0	0	108.4	V46 V50 T61	V46-F48 HydrophobicContact CB-CD1 4.1Å; V46-F48 HydrophobicContact CB-CE1 3.43Å; V46-F48 VanDerWaalsContact CB-CE1 3.43Å; V46-F48 HydrophobicContact CB-CZ 3.69Å; V46-F48 HydrophobicContact CG1-CD1 3.56Å; V46-F48 HydrophobicContact CG1-CE1 3.27Å; V46-F48 HydrophobicContact CG1-CZ 4.07Å; V46-F48 HydrophobicContact CG2-CE1 4.3Å; V46-F48 HydrophobicContact CG2-CZ 4.5Å; V46-F48 PolarHBondContact O-N 3.3Å; F48-V50 VanDerWaalsContact C-N 3.34Å; F48-T61 HydrophobicContact CE2-CG2 3.52Å; F48-T61 HydrophobicContact CZ-CG2 3.53Å
49	T	74.2	Confident	79.7	Confident	106 Å²	106	106.6 Å²	106.6	65%	0.65	55%	0.545	S	S	*	.			trans	-86	-11.1	175.9	50.9	0	0	0	0	112.7	P56 F57	T49-P56 WeakPolarHBondContact O-CA 3.45Å; T49-F57 PolarHBondContact O-N 2.97Å
50	V	83.1	Confident	79.2	Confident	74 Å²	74	109.5 Å²	109.5	45%	0.448	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-142.5	130.8	-169.1	-163.9	0	0	0	0	110.9	F48 G54 R55	F48-V50 VanDerWaalsContact C-N 3.34Å; V50-G54 WeakPolarHBondContact CG1-O 3.41Å; V50-R55 WeakPolarHBondContact CA-O 3.33Å; V50-R55 WeakPolarHBondContact CG1-O 3.24Å
51	D	78.4	Confident	79	Confident	69 Å²	69	105.6 Å²	105.6	37%	0.369	54%	0.54	S	S	.	.			trans	-63.6	165.6	170.9	-90.6	-19.9	0	0	0	112.2	R53 G54 R55 F57	D51-R53 PolarHBondContact O-N 2.93Å; D51-G54 PolarHBondContact O-N 3.48Å; D51-R55 PolarHBondContact N-O 3.01Å; D51-F57 WeakPolarHBondContact OD1-CD2 3.33Å; D51-F57 WeakPolarHBondContact OD1-CG 3.44Å
52	K	82.2	Confident	78.8	Confident	226 Å²	226	105.5 Å²	105.5	98%	0.983	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-17.6	173.1	-62.9	-178.9	-176	175.8	0	114.1
53	R	86.4	Confident	78.8	Confident	220 Å²	220	105.6 Å²	105.6	83%	0.83	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	6.3	-179.9	-65.4	176.8	176.8	179	-1	114.2	D51 R55	D51-R53 PolarHBondContact O-N 2.93Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 3.44Å
54	G	82.5	Confident	78.8	Confident	57 Å²	57	102.6 Å²	102.6	59%	0.588	51%	0.506	S	S	*	.	S	Bend	trans	82.8	4	178.5	0	0	0	0	0	115.1	V50 D51	V50-G54 WeakPolarHBondContact CG1-O 3.41Å; D51-G54 PolarHBondContact O-N 3.48Å
55	R	83.3	Confident	78.9	Confident	169 Å²	169	99.4 Å²	99.4	64%	0.638	49%	0.493	S	S	*	.			trans	-83.2	138.4	179.3	-65.2	-175.4	-179.8	-166.9	-2	110.1	V50 D51 R53 F57	V50-R55 WeakPolarHBondContact CA-O 3.33Å; V50-R55 WeakPolarHBondContact CG1-O 3.24Å; D51-R55 PolarHBondContact N-O 3.01Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 3.44Å; R55-F57 PolarHBondContact O-N 3.28Å
56	P	79	Confident	79.2	Confident	102 Å²	102	100.8 Å²	100.8	66%	0.662	49%	0.494	S	S	*	.	B	Isolated β-bridge	trans	-59.6	132.5	173.5	25.9	-32.5	0	0	0	109.3	T49	T49-P56 WeakPolarHBondContact O-CA 3.45Å
57	F	69.9	Low	79.6	Confident	54 Å²	54	100.3 Å²	100.3	24%	0.237	49%	0.487	C	S	.	.			trans	-131.6	127.8	-175.8	-173.3	-108.1	0	0	0	108.4	T49 D51 R55 R59	T49-F57 PolarHBondContact O-N 2.97Å; D51-F57 WeakPolarHBondContact OD1-CD2 3.33Å; D51-F57 WeakPolarHBondContact OD1-CG 3.44Å; R55-F57 PolarHBondContact O-N 3.28Å; F57-R59 HydrophobicContact CD1-CB 4.27Å; F57-R59 HydrophobicContact CE1-CB 3.59Å; F57-R59 HydrophobicContact CE1-CG 4.26Å; F57-R59 HydrophobicContact CE2-CG 4.49Å; F57-R59 HydrophobicContact CZ-CB 3.81Å; F57-R59 HydrophobicContact CZ-CG 3.97Å
58	H	68.8	Low	80.1	Confident	180 Å²	180	98.8 Å²	98.8	83%	0.833	47%	0.474	S	S	*	.			trans	-108.5	10.5	-169.1	-71.3	-61.5	0	0	0	114.7
59	R	70.8	Confident	80.8	Confident	113 Å²	113	98.2 Å²	98.2	43%	0.426	47%	0.47	S	S	.	.			trans	-83.8	139.1	178.4	-73.4	-177.5	168.6	-176.1	-3.8	112.4	F57 E63 E67	F57-R59 HydrophobicContact CD1-CB 4.27Å; F57-R59 HydrophobicContact CE1-CB 3.59Å; F57-R59 HydrophobicContact CE1-CG 4.26Å; F57-R59 HydrophobicContact CE2-CG 4.49Å; F57-R59 HydrophobicContact CZ-CB 3.81Å; F57-R59 HydrophobicContact CZ-CG 3.97Å; R59-E63 VanDerWaalsContact CA-OE2 3.27Å; R59-E63 WeakPolarHBondContact CA-OE2 3.25Å; R59-E63 HydrophobicContact CB-CB 4.47Å; R59-E63 WeakPolarHBondContact CB-OE2 3.33Å; R59-E67 IonicContact CZ-OE2 3.47Å; R59-E67 IonicContact NH1-OE1 3.5Å; R59-E67 IonicContact NH1-OE2 3.17Å; R59-E67 PolarHBondContact NH1-OE2 3.29Å
60	T	76.9	Confident	81.3	Confident	71 Å²	71	96.5 Å²	96.5	44%	0.436	46%	0.456	S	S	.	.			trans	-73.6	159.1	174.1	63.9	0	0	0	0	111	E62 E63 N64	T60-E62 PolarHBondContact O-N 3.34Å; T60-E63 PolarHBondContact N-OE2 2.96Å; T60-E63 PolarHBondContact O-N 3.36Å; T60-E63 WeakPolarHBondContact OG1-CG 3.44Å; T60-E63 PolarHBondContact OG1-N 2.78Å; T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.26Å
61	T	81.1	Confident	80.9	Confident	14 Å²	14	95.7 Å²	95.7	9%	0.086	45%	0.449	C	S	.	.	H	α-helix	trans	-57.9	-34.8	174.6	5	0	0	0	0	111.7	Q45 V46 F48 L65	Q45-T61 VanDerWaalsContact CA-OG1 3.31Å; Q45-T61 WeakPolarHBondContact CA-OG1 3.31Å; V46-T61 HydrophobicContact CB-CG2 3.94Å; V46-T61 HydrophobicContact CG2-CG2 4.45Å; V46-T61 VanDerWaalsContact N-CG2 3.33Å; V46-T61 PolarHBondContact N-OG1 3.27Å; V46-T61 WeakPolarHBondContact O-CG2 3.39Å; V46-T61 PolarHBondContact O-OG1 2.86Å; F48-T61 HydrophobicContact CE2-CG2 3.52Å; F48-T61 HydrophobicContact CZ-CG2 3.53Å; T61-L65 VanDerWaalsContact O-CG 3.31Å; T61-L65 WeakPolarHBondContact O-CG 3.17Å; T61-L65 PolarHBondContact O-N 3.01Å; T61-L65 VanDerWaalsContact O-N 3.11Å
62	E	82.4	Confident	80.2	Confident	57 Å²	57	94.9 Å²	94.9	27%	0.266	45%	0.449	S	S	.	.	H	α-helix	trans	-66.4	-45.6	178.3	-169	-177	172.5	0	0	112.3	F39 T60 N64 L65 R66	F39-E62 HydrophobicContact CB-CG 4.38Å; F39-E62 HydrophobicContact CD1-CG 4.17Å; T60-E62 PolarHBondContact O-N 3.34Å; E62-N64 VanDerWaalsContact C-N 3.31Å; E62-N64 PolarHBondContact O-N 2.97Å; E62-L65 PolarHBondContact O-N 3.15Å; E62-L65 VanDerWaalsContact O-N 3.14Å; E62-R66 HydrophobicContact CG-CG 4.5Å; E62-R66 WeakPolarHBondContact O-CG 3.27Å; E62-R66 PolarHBondContact O-N 2.84Å; E62-R66 IonicContact OE1-CZ 2.86Å; E62-R66 IonicContact OE1-NE 2.64Å; E62-R66 PolarHBondContact OE1-NE 2.98Å; E62-R66 IonicContact OE1-NH2 3.17Å; E62-R66 PolarHBondContact OE1-NH2 2.96Å
63	E	82.8	Confident	78.8	Confident	96 Å²	96	87.7 Å²	87.7	45%	0.449	43%	0.427	S	S	.	.	H	α-helix	trans	-60.1	-42.9	177	-74.8	166.1	178.6	0	0	111.6	R59 T60 L65 R66 E67	R59-E63 VanDerWaalsContact CA-OE2 3.27Å; R59-E63 WeakPolarHBondContact CA-OE2 3.25Å; R59-E63 HydrophobicContact CB-CB 4.47Å; R59-E63 WeakPolarHBondContact CB-OE2 3.33Å; T60-E63 PolarHBondContact N-OE2 2.96Å; T60-E63 PolarHBondContact O-N 3.36Å; T60-E63 WeakPolarHBondContact OG1-CG 3.44Å; T60-E63 PolarHBondContact OG1-N 2.78Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.39Å; E63-R66 PolarHBondContact O-N 3.06Å; E63-E67 PolarHBondContact O-N 3.21Å
64	N	83.8	Confident	76.8	Confident	33 Å²	33	84.1 Å²	84.1	18%	0.176	43%	0.425	C	S	.	.	H	α-helix	trans	-62.8	-37.6	176.3	-71.1	-34.1	0	0	0	111.8	T60 E62 F68	T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.26Å; E62-N64 VanDerWaalsContact C-N 3.31Å; E62-N64 PolarHBondContact O-N 2.97Å; N64-F68 WeakPolarHBondContact O-CD2 3.3Å; N64-F68 WeakPolarHBondContact O-CE2 3.4Å
65	L	86.5	Confident	75.1	Confident	32 Å²	32	86.7 Å²	86.7	17%	0.168	43%	0.425	C	S	.	.	H	α-helix	trans	-72.4	-38.5	177.6	-69.9	169.2	0	0	0	112.3	M38 F39 T61 E62 E63 E67 F68 Y69	M38-L65 HydrophobicContact CE-CD1 4.03Å; M38-L65 HydrophobicContact CE-CD2 3.59Å; M38-L65 HydrophobicContact CE-CG 4.25Å; M38-L65 HydrophobicContact CG-CD1 3.85Å; M38-L65 WeakPolarHBondContact O-CD1 3.48Å; M38-L65 HydrophobicContact SD-CD1 4.41Å; M38-L65 HydrophobicContact SD-CD2 4.13Å; F39-L65 HydrophobicContact CD1-CB 4Å; F39-L65 HydrophobicContact CE1-CB 3.55Å; F39-L65 HydrophobicContact CZ-CB 4.29Å; T61-L65 VanDerWaalsContact O-CG 3.31Å; T61-L65 WeakPolarHBondContact O-CG 3.17Å; T61-L65 PolarHBondContact O-N 3.01Å; T61-L65 VanDerWaalsContact O-N 3.11Å; E62-L65 PolarHBondContact O-N 3.15Å; E62-L65 VanDerWaalsContact O-N 3.14Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.39Å; L65-E67 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 3.35Å; L65-Y69 HydrophobicContact CB-CD2 4.4Å; L65-Y69 HydrophobicContact CD2-CD2 3.97Å; L65-Y69 HydrophobicContact CD2-CE2 3.81Å; L65-Y69 WeakPolarHBondContact O-CB 3.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 2.92Å
66	R	86.1	Confident	73.3	Confident	121 Å²	121	87.6 Å²	87.6	46%	0.457	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-19.4	178.9	-73.9	178.7	177.9	-149.6	2	113.4	K28 F39 E62 E63	K28-R66 VanDerWaalsContact CE-O 3.24Å; K28-R66 WeakPolarHBondContact CE-O 3.47Å; K28-R66 PolarHBondContact NZ-O 2.81Å; F39-R66 HydrophobicContact CD1-CG 4.07Å; F39-R66 HydrophobicContact CE1-CG 3.87Å; E62-R66 HydrophobicContact CG-CG 4.5Å; E62-R66 WeakPolarHBondContact O-CG 3.27Å; E62-R66 PolarHBondContact O-N 2.84Å; E62-R66 IonicContact OE1-CZ 2.86Å; E62-R66 IonicContact OE1-NE 2.64Å; E62-R66 PolarHBondContact OE1-NE 2.98Å; E62-R66 IonicContact OE1-NH2 3.17Å; E62-R66 PolarHBondContact OE1-NH2 2.96Å; E63-R66 PolarHBondContact O-N 3.06Å
67	E	84.8	Confident	71.5	Confident	64 Å²	64	91.3 Å²	91.3	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-71.8	-35.3	175.6	-171.6	161.9	-160.6	0	0	112.3	R59 E63 L65	R59-E67 IonicContact CZ-OE2 3.47Å; R59-E67 IonicContact NH1-OE1 3.5Å; R59-E67 IonicContact NH1-OE2 3.17Å; R59-E67 PolarHBondContact NH1-OE2 3.29Å; E63-E67 PolarHBondContact O-N 3.21Å; L65-E67 PolarHBondContact O-N 3.24Å
68	F	86	Confident	70.2	Confident	120 Å²	120	97.6 Å²	97.6	53%	0.526	48%	0.475	S	S	.	.	H	α-helix	trans	-101.7	-23.3	-175.9	-58.6	-70.1	0	0	0	114	K28 V29 N64 L65	K28-F68 CarbonylContact C-O 3.6Å; K28-F68 WeakPolarHBondContact CA-O 3.34Å; V29-F68 PolarHBondContact N-O 3.09Å; N64-F68 WeakPolarHBondContact O-CD2 3.3Å; N64-F68 WeakPolarHBondContact O-CE2 3.4Å; L65-F68 PolarHBondContact O-N 3.35Å
69	Y	89	Confident	68.9	Low	85 Å²	85	96.7 Å²	96.7	33%	0.333	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	-168.4	-60	-67.7	0	0	0	113	V29 I31 M38 L65	V29-Y69 HydrophobicContact CB-CD1 3.86Å; V29-Y69 HydrophobicContact CB-CE1 4.17Å; V29-Y69 HydrophobicContact CG1-CD1 4.28Å; V29-Y69 HydrophobicContact CG1-CE1 4.39Å; V29-Y69 VanDerWaalsContact O-CA 3.28Å; V29-Y69 WeakPolarHBondContact O-CA 3.12Å; I31-Y69 HydrophobicContact CD1-CD1 3.34Å; I31-Y69 HydrophobicContact CD1-CD2 3.9Å; I31-Y69 HydrophobicContact CD1-CE1 4.07Å; I31-Y69 HydrophobicContact CD1-CG 3.25Å; I31-Y69 HydrophobicContact CG1-CD1 3.37Å; I31-Y69 HydrophobicContact CG1-CE1 4.15Å; I31-Y69 HydrophobicContact CG1-CG 3.76Å; M38-Y69 HydrophobicContact CE-CD2 3.97Å; M38-Y69 HydrophobicContact CE-CE2 4.1Å; L65-Y69 HydrophobicContact CB-CD2 4.4Å; L65-Y69 HydrophobicContact CD2-CD2 3.97Å; L65-Y69 HydrophobicContact CD2-CE2 3.81Å; L65-Y69 WeakPolarHBondContact O-CB 3.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.43Å; L65-Y69 PolarHBondContact O-N 2.92Å
70	D	83.7	Confident	67.1	Low	70 Å²	70	96.1 Å²	96.1	37%	0.374	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136	175.8	-161.1	9.2	0	0	0	109.7	K28 V29 K30 I31 S72	K28-D70 HydrophobicContact CB-CB 3.97Å; K28-D70 HydrophobicContact CD-CB 4.21Å; V29-D70 PolarHBondContact O-N 2.89Å; K30-D70 CarbonylContact C-O 3.57Å; K30-D70 WeakPolarHBondContact CA-O 3.37Å; I31-D70 PolarHBondContact N-O 2.73Å; D70-S72 PolarHBondContact O-N 3.43Å
71	L	74.8	Confident	65	Low	57 Å²	57	100 Å²	100	30%	0.298	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105.7	-179.7	-79.9	162.7	0	0	0	108.6	K36 F39 S73	K36-L71 HydrophobicContact CB-CD2 4.09Å; K36-L71 HydrophobicContact CG-CD1 4.29Å; K36-L71 HydrophobicContact CG-CD2 4.37Å; F39-L71 HydrophobicContact CD2-CD1 3.99Å; F39-L71 HydrophobicContact CD2-CD2 4.36Å; F39-L71 HydrophobicContact CD2-CG 4.34Å; F39-L71 HydrophobicContact CE2-CD1 4.04Å; F39-L71 HydrophobicContact CE2-CD2 4.02Å; F39-L71 HydrophobicContact CE2-CG 3.91Å; L71-S73 PolarHBondContact O-N 2.98Å; L71-S73 VanDerWaalsContact O-N 3.16Å
72	S	62.8	Low	62.7	Low	52 Å²	52	106.9 Å²	106.9	36%	0.364	54%	0.538	S	S	.	.			trans	-76	104.2	178.1	59.1	0	0	0	0	110.1	I31 N33 D70	I31-S72 PolarHBondContact O-N 3.14Å; I31-S72 PolarHBondContact O-OG 2.93Å; N33-S72 PolarHBondContact OD1-O 3.29Å; D70-S72 PolarHBondContact O-N 3.43Å
73	S	52.9	Low	60.3	Low	74 Å²	74	112.2 Å²	112.2	52%	0.517	57%	0.568	S	S	.	*	S	Bend	trans	134.5	114.5	155.1	-171	0	0	0	0	112.7	L71 D75	L71-S73 PolarHBondContact O-N 2.98Å; L71-S73 VanDerWaalsContact O-N 3.16Å; S73-D75 PolarHBondContact O-N 3.21Å
74	D	45.8	Very low	57.8	Low	146 Å²	146	112.4 Å²	112.4	78%	0.781	59%	0.586	S	S	*	*	S	Bend	trans	74.2	0.2	150.3	-94.8	3.6	0	0	0	122.2	E76	D74-E76 PolarHBondContact O-N 2.91Å
75	D	46.4	Very low	55.4	Low	111 Å²	111	117.7 Å²	117.7	59%	0.594	62%	0.619	S	S	*	*			trans	-89.1	28	170.3	-71.6	-29	0	0	0	113.1	K36 S73 E77	K36-D75 IonicContact NZ-OD2 3.98Å; K36-D75 PolarHBondContact NZ-OD2 2.88Å; S73-D75 PolarHBondContact O-N 3.21Å; D75-E77 PolarHBondContact O-N 2.73Å; D75-E77 VanDerWaalsContact O-N 3.1Å
76	E	45.4	Very low	52.6	Low	187 Å²	187	119.8 Å²	119.8	87%	0.874	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-1.6	175.7	-75.3	-170.3	176.3	0	0	113.8	D74	D74-E76 PolarHBondContact O-N 2.91Å
77	E	41.4	Very low	50.1	Low	181 Å²	181	123.5 Å²	123.5	85%	0.846	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-9.3	-175.7	-65.8	-163.3	166.2	0	0	115.9	D75	D75-E77 PolarHBondContact O-N 2.73Å; D75-E77 VanDerWaalsContact O-N 3.1Å
78	E	41.9	Very low	47.6	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	70%	0.698	S	S	*	*	S	Bend	trans	-114.1	-5.8	-174.1	-73.9	-165.6	163.8	0	0	117.3
79	Q	40.8	Very low	45.1	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	72%	0.716	S	S	*	*	S	Bend	trans	-111.5	7.8	-179.1	-75.4	-171	-4.1	0	0	116	N81	Q79-N81 PolarHBondContact O-N 3.32Å
80	S	33.1	Very low	42.4	Very low	101 Å²	101	134 Å²	134	71%	0.706	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	20	-173.4	69.4	0	0	0	0	116.4
81	N	33.3	Very low	40.1	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	9.8	-168.7	-104.1	-3.5	0	0	0	117.4	Q79	Q79-N81 PolarHBondContact O-N 3.32Å
82	L	33.8	Very low	38.5	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	79%	0.788	S	S	*	*	S	Bend	trans	-129.9	-3.2	-176.5	-83	165.6	0	0	0	118.5
83	N	31.5	Very low	37.2	Very low	170 Å²	170	150.9 Å²	150.9	91%	0.909	81%	0.811	S	S	*	*			trans	-141.3	91.5	174.7	-78.9	-33.6	0	0	0	111.8
84	A	29.2	Very low	36.6	Very low	99 Å²	99	155.9 Å²	155.9	82%	0.818	83%	0.826	S	S	*	*			trans	-132.6	85.3	171.9	0	0	0	0	0	110.3
85	T	33.5	Very low	36.5	Very low	144 Å²	144	157.1 Å²	157.1	88%	0.883	83%	0.827	S	S	*	*			trans	-154.4	100.5	152.3	31.8	0	0	0	0	104.8
86	G	29.1	Very low	36.4	Very low	76 Å²	76	157.6 Å²	157.6	78%	0.784	83%	0.828	S	S	*	*				80.6	123.2	108.6	0	0	0	0	0	109.9
87	E	32.9	Very low	36.6	Very low	200 Å²	200	159.8 Å²	159.8	94%	0.935	83%	0.829	S	S	*	*			cis	-153.9	159.8	22.6	-74.7	172.6	143.6	0	0	108.6
88	K	32	Very low	37	Very low	196 Å²	196	156.8 Å²	156.8	85%	0.852	82%	0.817	S	S	*	*			trans	-87.4	133.5	174.6	-69.6	172.9	175	175.5	0	108.6
89	D	34	Very low	37.6	Very low	169 Å²	169	152.3 Å²	152.3	90%	0.904	80%	0.799	S	S	*	*			trans	-144.7	121.4	145.1	-88	-34.2	0	0	0	109.7
90	T	32.6	Very low	38.5	Very low	123 Å²	123	152 Å²	152	76%	0.755	80%	0.802	S	S	*	*			trans	-73.4	136.9	171.3	38.6	0	0	0	0	109.8
91	D	35.8	Very low	39.9	Very low	163 Å²	163	151.8 Å²	151.8	87%	0.872	81%	0.806	S	S	*	*			trans	-166.4	153.6	147.6	-88.3	-27	0	0	0	110.6
92	E	40.8	Very low	41.6	Very low	190 Å²	190	153.2 Å²	153.2	89%	0.888	80%	0.8	S	S	*	*			trans	-80.8	150.6	-149.8	-63.7	166.1	160.4	0	0	115.6
93	E	35.4	Very low	42.5	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	80%	0.796	S	S	*	*			trans	-21.9	124.9	167.7	-59.8	171	178.2	0	0	119.4
94	E	39.5	Very low	43.3	Very low	179 Å²	179	148.6 Å²	148.6	84%	0.836	79%	0.788	S	S	*	*			trans	-136.4	104.2	136.8	-74.1	-162.5	170.5	0	0	109.2	I96	E94-I96 PolarHBondContact O-N 3.28Å; E94-I96 VanDerWaalsContact O-N 3.15Å
95	E	43.6	Very low	44.3	Very low	173 Å²	173	146.6 Å²	146.6	81%	0.808	78%	0.777	S	S	*	*			trans	-71.8	99.7	174.6	-72.5	-174.1	165.6	0	0	111	R97	E95-R97 PolarHBondContact O-N 3.29Å
96	I	44.3	Very low	44.8	Very low	121 Å²	121	147.8 Å²	147.8	62%	0.621	78%	0.778	S	S	*	*			trans	-85	102.7	171.5	-55.2	174	0	0	0	109.1	E94 I98	E94-I96 PolarHBondContact O-N 3.28Å; E94-I96 VanDerWaalsContact O-N 3.15Å; I96-I98 HydrophobicContact CG2-CG1 4.18Å; I96-I98 PolarHBondContact O-N 3.04Å
97	R	50.8	Low	45.7	Very low	232 Å²	232	150.7 Å²	150.7	88%	0.875	78%	0.775	S	S	*	*			trans	-71.1	105.1	171.3	-73.7	-178.4	175.4	-154.6	-1.8	110.9	E95	E95-R97 PolarHBondContact O-N 3.29Å
98	I	49.7	Very low	46	Very low	119 Å²	119	147 Å²	147	61%	0.61	77%	0.769	S	S	*	*			trans	-92	122.6	174.6	-57	167.2	0	0	0	109.7	I96 L100	I96-I98 HydrophobicContact CG2-CG1 4.18Å; I96-I98 PolarHBondContact O-N 3.04Å; I98-L100 PolarHBondContact O-N 2.57Å
99	D	54.3	Low	46.3	Very low	91 Å²	91	144 Å²	144	49%	0.487	77%	0.767	S	S	.	*			trans	-83.2	93.8	-176.6	-168.7	9.5	0	0	0	111.2	A101 R102	D99-A101 PolarHBondContact O-N 2.86Å; D99-A101 VanDerWaalsContact O-N 3.12Å; D99-R102 PolarHBondContact O-N 3.26Å; D99-R102 VanDerWaalsContact O-N 3.17Å; D99-R102 IonicContact OD2-NE 2.77Å
100	L	59.4	Low	46.5	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-59	-23.2	-177.8	-68.7	107.9	0	0	0	113.7	I98 R102	I98-L100 PolarHBondContact O-N 2.57Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 3.13Å
101	A	63	Low	46.5	Very low	95 Å²	95	142.5 Å²	142.5	79%	0.785	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-75.1	-14.1	-178.8	0	0	0	0	0	113.5	D99	D99-A101 PolarHBondContact O-N 2.86Å; D99-A101 VanDerWaalsContact O-N 3.12Å
102	R	68.7	Low	46.6	Very low	183 Å²	183	139.1 Å²	139.1	69%	0.691	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-92.3	-5.5	-174.2	-160.1	176.1	-76.7	-160	-4.1	114.3	D99 L100 Q104	D99-R102 PolarHBondContact O-N 3.26Å; D99-R102 VanDerWaalsContact O-N 3.17Å; D99-R102 IonicContact OD2-NE 2.77Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 3.13Å; R102-Q104 PolarHBondContact O-N 3.25Å
103	G	52.2	Low	46.4	Very low	72 Å²	72	137 Å²	137	74%	0.742	74%	0.741	S	S	*	*			trans	68.9	14.2	177.8	0	0	0	0	0	115.1
104	Q	49.4	Very low	46.6	Very low	159 Å²	159	135.9 Å²	135.9	74%	0.743	74%	0.74	S	S	*	*			trans	-98.5	96.9	170	-73.2	-171.5	-25.9	0	0	108.9	R102	R102-Q104 PolarHBondContact O-N 3.25Å
105	G	50.4	Low	46.5	Very low	57 Å²	57	130.7 Å²	130.7	59%	0.588	72%	0.724	S	S	*	*			trans	161.5	86.6	179.5	0	0	0	0	0	110.4	L107	G105-L107 VanDerWaalsContact C-N 3.32Å; G105-L107 PolarHBondContact O-N 3.04Å
106	N	43.6	Very low	46.1	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	71%	0.714	S	S	*	*			trans	-68.1	97.1	166	-82.7	12.7	0	0	0	107.4	P108	N106-P108 WeakPolarHBondContact O-CD 3.42Å
107	L	46.4	Very low	46	Very low	138 Å²	138	131.2 Å²	131.2	72%	0.723	72%	0.716	S	S	*	*			trans	-71.2	118.7	162.7	-76.2	156.9	0	0	0	107.4	G105 T109	G105-L107 VanDerWaalsContact C-N 3.32Å; G105-L107 PolarHBondContact O-N 3.04Å; L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 PolarHBondContact O-N 3.41Å
108	P	39.3	Very low	45.3	Very low	123 Å²	123	124.9 Å²	124.9	80%	0.799	71%	0.708	S	S	*	*			trans	-64.6	102.2	163.4	27.2	-30.3	0	0	0	107	N106	N106-P108 WeakPolarHBondContact O-CD 3.42Å
109	T	39.3	Very low	45	Very low	133 Å²	133	125.1 Å²	125.1	82%	0.816	71%	0.71	S	S	*	*			trans	-80.6	122.6	169.9	-55.3	0	0	0	0	106.6	L107	L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 PolarHBondContact O-N 3.41Å
110	S	37.1	Very low	43.9	Very low	100 Å²	100	130 Å²	130	70%	0.699	73%	0.73	S	S	*	*			trans	101.4	69.9	174.5	-160.1	0	0	0	0	115.4	S112	S110-S112 PolarHBondContact O-N 3.48Å
111	E	34.3	Very low	43.1	Very low	159 Å²	159	125.7 Å²	125.7	74%	0.743	71%	0.712	S	S	*	*			trans	-64.8	102.1	143.4	-73.6	177.3	149.6	0	0	107.5	R27	R27-E111 IonicContact NH1-OE2 3.15Å
112	S	37.1	Very low	42	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	72%	0.72	S	S	*	*			trans	-153.1	87.4	169.2	176.5	0	0	0	0	107.8	S110	S110-S112 PolarHBondContact O-N 3.48Å
113	D	35.6	Very low	40.8	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	72%	0.718	S	S	*	*			trans	54	71.4	155.6	-145.6	24.4	0	0	0	114.6	S115	D113-S115 PolarHBondContact O-N 2.99Å
114	D	39.8	Very low	40.2	Very low	156 Å²	156	132.4 Å²	132.4	83%	0.834	73%	0.726	S	S	*	*			trans	-67.4	82.5	162	-86.9	-34.1	0	0	0	108.1	E116	D114-E116 PolarHBondContact O-N 3.43Å
115	S	37.9	Very low	39.6	Very low	71 Å²	71	127.4 Å²	127.4	50%	0.497	72%	0.716	S	S	.	*			trans	-59.7	125.1	167	36.1	0	0	0	0	108.9	D113 W117	D113-S115 PolarHBondContact O-N 2.99Å; S115-W117 VanDerWaalsContact O-CD1 3.24Å; S115-W117 PolarHBondContact O-N 3.15Å
116	E	34.5	Very low	39.4	Very low	129 Å²	129	129.7 Å²	129.7	60%	0.603	71%	0.714	S	S	*	*			trans	-49.1	105.2	180	-68.1	177.7	124.4	0	0	111.9	M1 D114 S118	M1-E116 PolarHBondContact N-OE1 3.4Å; D114-E116 PolarHBondContact O-N 3.43Å; E116-S118 PolarHBondContact O-N 3.32Å
117	W	43	Very low	39.7	Very low	175 Å²	175	126.7 Å²	126.7	66%	0.663	70%	0.698	S	S	*	*			trans	-88.5	30.8	166.3	-71.1	102.1	0	0	0	112.6	S115 L119 Q220	S115-W117 VanDerWaalsContact O-CD1 3.24Å; S115-W117 PolarHBondContact O-N 3.15Å; W117-L119 VanDerWaalsContact C-N 3.34Å; W117-L119 PolarHBondContact O-N 3.37Å; W117-Q220 HydrophobicContact CZ3-CG 4.37Å
118	S	35.8	Very low	40.2	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	70%	0.697	S	S	*	*			trans	-91.2	69.7	172.7	-162.9	0	0	0	0	110.2	E116 E120	E116-S118 PolarHBondContact O-N 3.32Å; S118-E120 PolarHBondContact O-N 3.35Å
119	L	43.2	Very low	41.3	Very low	124 Å²	124	123.3 Å²	123.3	65%	0.649	68%	0.682	S	S	*	*			trans	-92.4	82.7	168.1	-166.8	89.9	0	0	0	108.2	W117 S121	W117-L119 VanDerWaalsContact C-N 3.34Å; W117-L119 PolarHBondContact O-N 3.37Å; L119-S121 VanDerWaalsContact CD2-CB 3.45Å; L119-S121 PolarHBondContact O-N 3.4Å
120	E	32.8	Very low	42.8	Very low	193 Å²	193	119.4 Å²	119.4	90%	0.902	65%	0.652	S	S	*	*			trans	-67.1	84	149.2	-79.5	178.1	155.2	0	0	106.2	S118	S118-E120 PolarHBondContact O-N 3.35Å
121	S	41.2	Very low	44.6	Very low	65 Å²	65	118.6 Å²	118.6	46%	0.455	64%	0.643	S	S	.	*			trans	-97.5	115.1	166.1	170.3	0	0	0	0	106.1	L119 D123	L119-S121 VanDerWaalsContact CD2-CB 3.45Å; L119-S121 PolarHBondContact O-N 3.4Å; S121-D123 PolarHBondContact O-N 3.39Å
122	D	40.1	Very low	46.7	Very low	176 Å²	176	116.6 Å²	116.6	94%	0.941	63%	0.634	S	S	*	*			trans	-58.6	63	157.8	-77	-38.8	0	0	0	110.1
123	D	43	Very low	48.8	Very low	121 Å²	121	114.5 Å²	114.5	65%	0.647	62%	0.615	S	S	*	*			trans	-102.9	116.4	168	-155.6	24	0	0	0	107.6	S121 G125	S121-D123 PolarHBondContact O-N 3.39Å; D123-G125 PolarHBondContact O-N 3.08Å
124	E	40.7	Very low	50.9	Low	195 Å²	195	111.3 Å²	111.3	91%	0.911	60%	0.598	S	S	*	*			trans	-57.7	102.1	-180	-63.7	179.2	157.2	0	0	110.3
125	G	36.6	Very low	52.7	Low	53 Å²	53	107.1 Å²	107.1	55%	0.546	59%	0.585	S	S	.	*			trans	73.8	61.2	147.5	0	0	0	0	0	117.7	D123 D127	D123-G125 PolarHBondContact O-N 3.08Å; G125-D127 PolarHBondContact O-N 3Å
126	I	45.1	Very low	54.5	Low	106 Å²	106	107.6 Å²	107.6	54%	0.544	60%	0.601	S	S	.	*			trans	-70.2	82.7	148.4	-54.4	174.3	0	0	0	106.6	S128	I126-S128 PolarHBondContact O-N 3.24Å
127	D	51.5	Low	56.8	Low	104 Å²	104	102.8 Å²	102.8	56%	0.556	58%	0.583	S	S	*	*			trans	-49.2	111.1	178.4	-78.8	-25.2	0	0	0	109.1	G125 N129 W130	G125-D127 PolarHBondContact O-N 3Å; D127-N129 PolarHBondContact O-N 3.4Å; D127-W130 PolarHBondContact O-NE1 2.92Å
128	S	55.2	Low	58.7	Low	99 Å²	99	100.3 Å²	100.3	69%	0.692	59%	0.59	S	S	*	*			trans	-70.4	9.3	176.6	-65.1	0	0	0	0	112.4	I126 W130	I126-S128 PolarHBondContact O-N 3.24Å; S128-W130 PolarHBondContact O-N 3.45Å; S128-W130 VanDerWaalsContact O-N 3.11Å
129	N	64	Low	61	Low	92 Å²	92	103.3 Å²	103.3	49%	0.492	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-83.4	18.9	-170	-58.4	7.6	0	0	0	112.8	D127 T131 E132	D127-N129 PolarHBondContact O-N 3.4Å; N129-T131 PolarHBondContact O-N 3.29Å; N129-T131 VanDerWaalsContact O-N 3.09Å; N129-E132 PolarHBondContact O-N 3.15Å; N129-E132 VanDerWaalsContact O-N 3.11Å
130	W	70.5	Confident	62.8	Low	51 Å²	51	100 Å²	100	19%	0.193	58%	0.58	C	S	.	*	G	3₁₀ helix	trans	-57.6	-25.4	178.1	-55.3	113.4	0	0	0	113.4	D127 S128 L133 R230 Q231 I234	D127-W130 PolarHBondContact O-NE1 2.92Å; S128-W130 PolarHBondContact O-N 3.45Å; S128-W130 VanDerWaalsContact O-N 3.11Å; W130-L133 WeakPolarHBondContact O-CD2 3.14Å; W130-R230 HydrophobicContact CD2-CG 4.28Å; W130-R230 HydrophobicContact CG-CG 4.46Å; W130-Q231 HydrophobicContact CH2-CB 4.26Å; W130-Q231 HydrophobicContact CH2-CG 3.02Å; W130-Q231 HydrophobicContact CZ2-CG 3.82Å; W130-Q231 HydrophobicContact CZ3-CB 4.37Å; W130-Q231 HydrophobicContact CZ3-CG 3.53Å; W130-I234 HydrophobicContact CB-CD1 3.7Å; W130-I234 HydrophobicContact CD2-CD1 3.89Å; W130-I234 HydrophobicContact CE3-CD1 3.33Å; W130-I234 HydrophobicContact CG-CD1 4.08Å; W130-I234 HydrophobicContact CZ3-CD1 4.31Å
131	T	74.5	Confident	65.1	Low	82 Å²	82	100.2 Å²	100.2	50%	0.503	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-89.6	-17.7	-177.3	-24.4	0	0	0	0	113	N129	N129-T131 PolarHBondContact O-N 3.29Å; N129-T131 VanDerWaalsContact O-N 3.09Å
132	E	77.8	Confident	67.4	Low	117 Å²	117	102 Å²	102	55%	0.547	59%	0.59	S	S	.	*			trans	-107.5	61.9	-175.3	-61.1	-173.6	176.7	0	0	110.3	N129 D134 A135	N129-E132 PolarHBondContact O-N 3.15Å; N129-E132 VanDerWaalsContact O-N 3.11Å; E132-D134 PolarHBondContact O-N 3.06Å; E132-D134 VanDerWaalsContact O-N 3.16Å; E132-A135 HydrophobicContact CB-CB 3.99Å; E132-A135 PolarHBondContact O-N 3.31Å
133	L	81.4	Confident	69.9	Low	50 Å²	50	96 Å²	96	26%	0.262	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	-19	-177.3	-58.3	179.8	0	0	0	113.3	W130 N151 I234 L237 V310	W130-L133 WeakPolarHBondContact O-CD2 3.14Å; L133-N151 HydrophobicContact CB-CB 4.29Å; L133-N151 HydrophobicContact CD1-CB 4.12Å; L133-N151 PolarHBondContact O-ND2 3.18Å; L133-I234 HydrophobicContact CD2-CG2 3.5Å; L133-I234 VanDerWaalsContact CD2-CG2 3.5Å; L133-L237 HydrophobicContact CD1-CD1 3.88Å; L133-V310 HydrophobicContact CD1-CG2 4.43Å
134	D	80.8	Confident	72.3	Confident	79 Å²	79	91.2 Å²	91.2	42%	0.422	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-12	-176.7	61.2	-34.8	0	0	0	113.8	E132 G136 A137	E132-D134 PolarHBondContact O-N 3.06Å; E132-D134 VanDerWaalsContact O-N 3.16Å; D134-G136 PolarHBondContact O-N 3.17Å; D134-A137 PolarHBondContact O-N 3.16Å
135	A	76.8	Confident	74.9	Confident	68 Å²	68	88.3 Å²	88.3	56%	0.562	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.9	-172.2	0	0	0	0	0	114.7	E132	E132-A135 HydrophobicContact CB-CB 3.99Å; E132-A135 PolarHBondContact O-N 3.31Å
136	G	76.4	Confident	77.7	Confident	81 Å²	81	88.9 Å²	88.9	84%	0.835	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.7	-179.8	0	0	0	0	0	115.2	D134	D134-G136 PolarHBondContact O-N 3.17Å
137	A	82.5	Confident	80.1	Confident	27 Å²	27	83.8 Å²	83.8	22%	0.223	48%	0.477	C	S	.	.	S	Bend	trans	-98.2	128.8	-172.8	0	0	0	0	0	112	D134 K139	D134-A137 PolarHBondContact O-N 3.16Å; A137-K139 PolarHBondContact O-N 3.26Å
138	P	83.3	Confident	82.2	Confident	124 Å²	124	79.5 Å²	79.5	81%	0.805	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-67.8	132.5	173.5	28.4	-32.8	0	0	0	109.9	A140	P138-A140 PolarHBondContact O-N 3.24Å
139	K	83.1	Confident	84.1	Confident	163 Å²	163	74.8 Å²	74.8	71%	0.709	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-70.3	127.1	169.9	-62.8	-169.4	178.4	-164.7	0	108.6	A137	A137-K139 PolarHBondContact O-N 3.26Å
140	A	81.3	Confident	85.5	Confident	53 Å²	53	71.6 Å²	71.6	44%	0.438	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-72.8	133.1	178.5	0	0	0	0	0	110.1	P138 V142 F275	P138-A140 PolarHBondContact O-N 3.24Å; A140-V142 VanDerWaalsContact C-N 3.34Å; A140-F275 HydrophobicContact CB-CB 3.96Å; A140-F275 HydrophobicContact CB-CD2 4.1Å; A140-F275 HydrophobicContact CB-CG 4.5Å
141	E	81.9	Confident	86.6	Confident	199 Å²	199	69.8 Å²	69.8	93%	0.93	40%	0.401	S	S	*	.	S	Bend	trans	-81.4	-18.2	174.7	-62.7	-178.5	175.7	0	0	112.4
142	V	89	Confident	87.4	Confident	103 Å²	103	66 Å²	66	62%	0.624	38%	0.378	S	S	*	.	S	Bend	trans	-107.8	118.7	-174.4	-175.5	0	0	0	0	109.7	A140 T144	A140-V142 VanDerWaalsContact C-N 3.34Å; V142-T144 HydrophobicContact CG1-CG2 4.48Å
143	S	92.1	Very high	88.1	Confident	50 Å²	50	61.3 Å²	61.3	35%	0.35	36%	0.357	S	S	.	.			trans	-72.8	125.9	171	56	0	0	0	0	110.6
144	T	94.4	Very high	88.6	Confident	19 Å²	19	59.5 Å²	59.5	12%	0.117	35%	0.346	C	S	.	.			trans	-119.9	173.1	176.3	61.9	0	0	0	0	110.7	V142 R146 A252 F275 I276	V142-T144 HydrophobicContact CG1-CG2 4.48Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact OG1-O 3.25Å; T144-A252 WeakPolarHBondContact O-CB 3.43Å; T144-F275 VanDerWaalsContact N-CD1 3.26Å; T144-I276 WeakPolarHBondContact CB-O 3.35Å; T144-I276 PolarHBondContact OG1-N 3.25Å; T144-I276 PolarHBondContact OG1-O 3.1Å
145	R	94.3	Very high	89.1	Confident	134 Å²	134	57.6 Å²	57.6	51%	0.506	34%	0.339	S	S	.	.	S	Bend	trans	-76.4	-20.4	-178.9	-61.5	-179.9	-178	-178	-0.7	113.2	C246	R145-C246 VanDerWaalsContact O-CB 3.3Å; R145-C246 WeakPolarHBondContact O-CB 3.4Å; R145-C246 PolarHBondContact O-N 3.17Å; R145-C246 VanDerWaalsContact O-N 3.11Å
146	R	95	Very high	89.7	Confident	65 Å²	65	57.2 Å²	57.2	25%	0.245	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135	-173.9	-64.2	-170.4	170.3	150	3.5	111.3	T144 I244 D245 I276 M280	T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact OG1-O 3.25Å; R146-I244 WeakPolarHBondContact CA-O 3.46Å; R146-D245 WeakPolarHBondContact CD-OD1 3.37Å; R146-D245 WeakPolarHBondContact CG-OD1 3.42Å; R146-D245 IonicContact CZ-OD1 3.89Å; R146-D245 IonicContact NE-OD1 2.75Å; R146-D245 PolarHBondContact NE-OD1 3.46Å; R146-I276 HydrophobicContact CB-CB 3.93Å; R146-I276 HydrophobicContact CB-CD1 4.35Å; R146-I276 PolarHBondContact O-N 3.03Å; R146-M280 PolarHBondContact NH1-O 3Å
147	L	95.6	Very high	90.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.5	174.4	-64.1	171.9	0	0	0	110.7	V243 I244 A252 I255 L273 R274 F275	L147-V243 CarbonylContact O-C 3.55Å; L147-V243 WeakPolarHBondContact O-CA 3.43Å; L147-I244 HydrophobicContact CB-CB 4.25Å; L147-I244 HydrophobicContact CB-CD1 4.05Å; L147-I244 PolarHBondContact N-O 2.97Å; L147-I244 PolarHBondContact O-N 2.94Å; L147-A252 HydrophobicContact CD1-CB 4.14Å; L147-A252 WeakPolarHBondContact CD1-O 3.42Å; L147-A252 HydrophobicContact CD2-CB 4.43Å; L147-A252 HydrophobicContact CG-CB 4.04Å; L147-I255 HydrophobicContact CD1-CB 4.19Å; L147-I255 HydrophobicContact CD1-CG2 3.93Å; L147-L273 HydrophobicContact CB-CD2 4.46Å; L147-R274 CarbonylContact C-O 3.58Å; L147-R274 WeakPolarHBondContact CA-O 3.5Å; L147-F275 HydrophobicContact CD2-CD1 3.42Å; L147-F275 VanDerWaalsContact CD2-CD1 3.42Å; L147-F275 HydrophobicContact CD2-CE1 3.51Å; L147-F275 HydrophobicContact CD2-CG 3.98Å; L147-F275 HydrophobicContact CD2-CZ 4.1Å
148	A	95.3	Very high	90.9	Very high	13 Å²	13	53.3 Å²	53.3	11%	0.107	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.6	165.8	0	0	0	0	0	109	A242 L273 R274 I276	A148-A242 CarbonylContact C-O 3.54Å; A148-A242 VanDerWaalsContact CA-O 3.25Å; A148-A242 WeakPolarHBondContact CA-O 3.39Å; A148-L273 CarbonylContact O-C 3.47Å; A148-L273 VanDerWaalsContact O-CA 3.29Å; A148-L273 WeakPolarHBondContact O-CA 3.49Å; A148-R274 HydrophobicContact CB-CB 4.4Å; A148-R274 PolarHBondContact N-O 3.09Å; A148-R274 PolarHBondContact O-N 3.11Å; A148-I276 HydrophobicContact CB-CD1 3.71Å; A148-I276 HydrophobicContact CB-CG1 3.74Å
149	L	95.8	Very high	91.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.2	166	178.8	66	0	0	0	108.9	M152 W154 L162 F166 Y241 A242 I244 I271 D272 L273	L149-M152 HydrophobicContact CD1-CG 4.04Å; L149-M152 HydrophobicContact CD2-CG 3.84Å; L149-M152 HydrophobicContact CG-CG 3.81Å; L149-W154 HydrophobicContact CD2-CH2 4.41Å; L149-W154 HydrophobicContact CG-CH2 4.36Å; L149-W154 WeakPolarHBondContact O-CH2 3.14Å; L149-L162 HydrophobicContact CD2-CD1 3.76Å; L149-L162 HydrophobicContact CD2-CD2 3.44Å; L149-L162 VanDerWaalsContact CD2-CD2 3.44Å; L149-L162 HydrophobicContact CD2-CG 4.22Å; L149-F166 HydrophobicContact CD2-CE2 4.3Å; L149-F166 HydrophobicContact CD2-CZ 4.11Å; L149-Y241 WeakPolarHBondContact O-CA 3.49Å; L149-A242 HydrophobicContact CB-CB 4.14Å; L149-A242 PolarHBondContact N-O 2.77Å; L149-A242 PolarHBondContact O-N 3.11Å; L149-I244 HydrophobicContact CB-CD1 4.39Å; L149-I271 HydrophobicContact CD1-CB 4.49Å; L149-I271 HydrophobicContact CD1-CG2 3.67Å; L149-D272 WeakPolarHBondContact CA-O 3.01Å; L149-L273 HydrophobicContact CB-CD2 4.07Å; L149-L273 HydrophobicContact CD1-CD2 3.86Å; L149-L273 HydrophobicContact CD1-CG 4.41Å
150	C	93.6	Very high	91.8	Very high	24 Å²	24	43.2 Å²	43.2	16%	0.162	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	167.7	-179.8	-65.3	0	0	0	0	111.6	M152 D272	C150-M152 PolarHBondContact O-N 3.43Å; C150-D272 PolarHBondContact N-O 3.16Å
151	N	92.7	Very high	92.3	Very high	14 Å²	14	41 Å²	41	8%	0.075	20%	0.203	C	C	.	.	S	Bend	trans	60.8	35.1	166.6	-63.1	-32.8	0	0	0	116	L133 M269 D272	L133-N151 HydrophobicContact CB-CB 4.29Å; L133-N151 HydrophobicContact CD1-CB 4.12Å; L133-N151 PolarHBondContact O-ND2 3.18Å; N151-M269 WeakPolarHBondContact O-CE 3.25Å; N151-D272 PolarHBondContact ND2-OD2 3.33Å
152	M	92.7	Very high	92.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.159	C	C	.	.			trans	-106.1	161.2	179.1	-70.2	-69.3	97.8	0	0	113.5	L149 C150 W154 I157 M269 K270	L149-M152 HydrophobicContact CD1-CG 4.04Å; L149-M152 HydrophobicContact CD2-CG 3.84Å; L149-M152 HydrophobicContact CG-CG 3.81Å; C150-M152 PolarHBondContact O-N 3.43Å; M152-W154 HydrophobicContact CB-CD2 4.35Å; M152-W154 HydrophobicContact CB-CH2 4.04Å; M152-W154 HydrophobicContact CB-CZ2 3.85Å; M152-W154 HydrophobicContact CB-CZ3 4.36Å; M152-W154 HydrophobicContact CG-CH2 4.49Å; M152-W154 PolarHBondContact O-N 3.34Å; M152-W154 VanDerWaalsContact O-N 3.13Å; M152-W154 PolarHBondContact O-NE1 3.32Å; M152-W154 VanDerWaalsContact O-NE1 3.12Å; M152-I157 HydrophobicContact CB-CD1 3.91Å; M152-I157 HydrophobicContact CG-CD1 4.32Å; M152-I157 HydrophobicContact SD-CD1 4.05Å; M152-M269 HydrophobicContact CE-CB 3.9Å; M152-M269 HydrophobicContact CE-CE 4.06Å; M152-K270 WeakPolarHBondContact CE-O 3.34Å
153	D	92.4	Very high	93.1	Very high	19 Å²	19	26.7 Å²	26.7	10%	0.102	13%	0.13	C	C	.	.			trans	-81.1	87.4	173.5	-171.9	-7.2	0	0	0	111.1	S155 R156 I157 L237 M269 F305	D153-S155 PolarHBondContact O-N 2.89Å; D153-S155 VanDerWaalsContact O-N 3.11Å; D153-S155 WeakPolarHBondContact OD1-CB 3.42Å; D153-S155 PolarHBondContact OD1-N 3.17Å; D153-S155 VanDerWaalsContact OD1-N 3.12Å; D153-S155 PolarHBondContact OD1-OG 3.28Å; D153-R156 PolarHBondContact O-N 3.42Å; D153-R156 VanDerWaalsContact O-N 3.15Å; D153-R156 VanDerWaalsContact OD2-CD 3.23Å; D153-R156 WeakPolarHBondContact OD2-CD 3.34Å; D153-R156 WeakPolarHBondContact OD2-CG 3.31Å; D153-R156 IonicContact OD2-CZ 3.86Å; D153-R156 IonicContact OD2-NE 2.7Å; D153-R156 PolarHBondContact OD2-NE 3.09Å; D153-I157 PolarHBondContact O-N 2.94Å; D153-L237 HydrophobicContact CB-CD2 4.4Å; D153-M269 HydrophobicContact CB-SD 3.78Å; D153-F305 HydrophobicContact CB-CE2 3.94Å; D153-F305 HydrophobicContact CB-CZ 4.4Å
154	W	92.6	Very high	93.2	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.042	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.6	-179.4	-49.3	108.5	0	0	0	115.2	L149 M152 L162 I181 L237 Y240 Y241 A242 K288	L149-W154 HydrophobicContact CD2-CH2 4.41Å; L149-W154 HydrophobicContact CG-CH2 4.36Å; L149-W154 WeakPolarHBondContact O-CH2 3.14Å; M152-W154 HydrophobicContact CB-CD2 4.35Å; M152-W154 HydrophobicContact CB-CH2 4.04Å; M152-W154 HydrophobicContact CB-CZ2 3.85Å; M152-W154 HydrophobicContact CB-CZ3 4.36Å; M152-W154 HydrophobicContact CG-CH2 4.49Å; M152-W154 PolarHBondContact O-N 3.34Å; M152-W154 VanDerWaalsContact O-N 3.13Å; M152-W154 PolarHBondContact O-NE1 3.32Å; M152-W154 VanDerWaalsContact O-NE1 3.12Å; W154-L162 HydrophobicContact CZ3-CD1 4.09Å; W154-I181 HydrophobicContact CE3-CD1 4.11Å; W154-I181 HydrophobicContact CE3-CG1 4.44Å; W154-I181 HydrophobicContact CE3-CG2 3.92Å; W154-I181 HydrophobicContact CZ3-CD1 4.19Å; W154-I181 HydrophobicContact CZ3-CG1 4.2Å; W154-I181 HydrophobicContact CZ3-CG2 4.2Å; W154-L237 PolarHBondContact NE1-O 3.17Å; W154-Y240 HydrophobicContact CB-CD2 3.74Å; W154-Y240 HydrophobicContact CB-CG 4.23Å; W154-Y240 AromaticContact CD1-CD2 3.89Å; W154-Y240 VanDerWaalsContact CE2-O 3.25Å; W154-Y240 AromaticContact CG-CD2 3.87Å; W154-Y240 HydrophobicContact CG-CD2 3.87Å; W154-Y240 HydrophobicContact CG-CG 4.1Å; W154-Y240 WeakPolarHBondContact CZ2-O 3.08Å; W154-Y240 PolarHBondContact NE1-O 3.11Å; W154-Y241 VanDerWaalsContact CZ2-CA 3.5Å; W154-A242 HydrophobicContact CH2-CB 3.81Å; W154-A242 VanDerWaalsContact CH2-N 3.3Å; W154-A242 HydrophobicContact CZ3-CB 3.84Å; W154-K288 PolarHBondContact O-NZ 3.09Å; W154-K288 VanDerWaalsContact O-NZ 3.16Å
155	S	90	Very high	93.1	Very high	40 Å²	40	26.6 Å²	26.6	28%	0.28	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.8	173.1	74.3	0	0	0	0	112.8	D153	D153-S155 PolarHBondContact O-N 2.89Å; D153-S155 VanDerWaalsContact O-N 3.11Å; D153-S155 WeakPolarHBondContact OD1-CB 3.42Å; D153-S155 PolarHBondContact OD1-N 3.17Å; D153-S155 VanDerWaalsContact OD1-N 3.12Å; D153-S155 PolarHBondContact OD1-OG 3.28Å
156	R	89.9	Confident	93.1	Very high	60 Å²	60	20.2 Å²	20.2	23%	0.226	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-25.9	-175.7	-52.4	-177.7	-164.1	-129.7	0.5	113.6	D153 F305 F324 H325	D153-R156 PolarHBondContact O-N 3.42Å; D153-R156 VanDerWaalsContact O-N 3.15Å; D153-R156 VanDerWaalsContact OD2-CD 3.23Å; D153-R156 WeakPolarHBondContact OD2-CD 3.34Å; D153-R156 WeakPolarHBondContact OD2-CG 3.31Å; D153-R156 IonicContact OD2-CZ 3.86Å; D153-R156 IonicContact OD2-NE 2.7Å; D153-R156 PolarHBondContact OD2-NE 3.09Å; R156-F305 HydrophobicContact CB-CD1 3.91Å; R156-F305 HydrophobicContact CB-CD2 4.43Å; R156-F305 HydrophobicContact CB-CE1 4.06Å; R156-F305 HydrophobicContact CB-CG 4.09Å; R156-F305 HydrophobicContact CB-CZ 4.39Å; R156-F305 HydrophobicContact CG-CG 4.37Å; R156-F324 HydrophobicContact CG-CB 4.36Å; R156-F324 HydrophobicContact CG-CG 4.39Å; R156-H325 PolarHBondContact O-NE2 3.43Å
157	I	91.9	Very high	92.9	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	10%	0.104	C	C	.	.			trans	-92.8	125.3	177.6	-65.2	165.2	0	0	0	109.2	M152 D153 D161 L162 Y264 F305	M152-I157 HydrophobicContact CB-CD1 3.91Å; M152-I157 HydrophobicContact CG-CD1 4.32Å; M152-I157 HydrophobicContact SD-CD1 4.05Å; D153-I157 PolarHBondContact O-N 2.94Å; I157-D161 HydrophobicContact CG2-CB 4.44Å; I157-L162 HydrophobicContact CG2-CD1 3.92Å; I157-L162 HydrophobicContact CG2-CD2 3.65Å; I157-L162 HydrophobicContact CG2-CG 3.49Å; I157-L162 VanDerWaalsContact CG2-CG 3.49Å; I157-Y264 HydrophobicContact CG1-CE1 4.42Å; I157-F305 HydrophobicContact CD1-CE1 4.26Å; I157-F305 HydrophobicContact CD1-CZ 3.67Å; I157-F305 HydrophobicContact CG1-CE1 3.68Å; I157-F305 HydrophobicContact CG1-CZ 3.57Å
158	S	91.5	Very high	92.7	Very high	21 Å²	21	23.7 Å²	23.7	15%	0.147	13%	0.132	C	C	.	.			trans	-95.3	162.5	169.7	67.5	0	0	0	0	112	R160 D161 L162	S158-R160 PolarHBondContact O-N 3.45Å; S158-D161 WeakPolarHBondContact CB-OD2 3.38Å; S158-D161 PolarHBondContact N-OD2 3.37Å; S158-D161 PolarHBondContact O-N 2.75Å; S158-D161 PolarHBondContact OG-N 3.36Å; S158-D161 PolarHBondContact OG-OD1 3.07Å; S158-D161 PolarHBondContact OG-OD2 2.65Å; S158-L162 PolarHBondContact O-N 2.89Å
159	A	93.7	Very high	92.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-32.9	175	0	0	0	0	0	111.4	L162 Y163 I181 D289 A291	A159-L162 PolarHBondContact O-N 3.04Å; A159-Y163 PolarHBondContact O-N 3.38Å; A159-I181 HydrophobicContact CB-CD1 4.05Å; A159-I181 HydrophobicContact CB-CG1 4.17Å; A159-D289 HydrophobicContact CB-CB 4.03Å; A159-D289 WeakPolarHBondContact CB-OD2 3.44Å; A159-D289 PolarHBondContact N-OD2 3.2Å; A159-A291 VanDerWaalsContact C-CB 3.44Å; A159-A291 HydrophobicContact CB-CB 3.78Å; A159-A291 WeakPolarHBondContact O-CB 3.43Å
160	R	92.4	Very high	92.3	Very high	76 Å²	76	29.8 Å²	29.8	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-62	-44.8	175.3	-177.5	177.4	178.5	170.1	2.9	112	S158 L162 Y163 V164 A291 D295 S297 Y300	S158-R160 PolarHBondContact O-N 3.45Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.2Å; R160-Y163 PolarHBondContact O-N 3.03Å; R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 3.02Å; R160-A291 HydrophobicContact CB-CB 4.46Å; R160-D295 VanDerWaalsContact CZ-O 3.27Å; R160-D295 PolarHBondContact NE-O 3.28Å; R160-D295 PolarHBondContact NH2-O 3.32Å; R160-S297 PolarHBondContact NH2-O 3.34Å; R160-S297 PolarHBondContact NH2-OG 3.48Å; R160-Y300 HydrophobicContact CG-CD2 4.2Å; R160-Y300 HydrophobicContact CG-CE2 4.37Å
161	D	92.3	Very high	92.3	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-43.1	179.4	-56.8	-45	0	0	0	111.2	I157 S158 V164 L165 Y300	I157-D161 HydrophobicContact CG2-CB 4.44Å; S158-D161 WeakPolarHBondContact CB-OD2 3.38Å; S158-D161 PolarHBondContact N-OD2 3.37Å; S158-D161 PolarHBondContact O-N 2.75Å; S158-D161 PolarHBondContact OG-N 3.36Å; S158-D161 PolarHBondContact OG-OD1 3.07Å; S158-D161 PolarHBondContact OG-OD2 2.65Å; D161-V164 PolarHBondContact O-N 2.77Å; D161-L165 PolarHBondContact O-N 2.83Å; D161-Y300 WeakPolarHBondContact CA-OH 3.41Å; D161-Y300 HydrophobicContact CB-CE2 4.5Å; D161-Y300 WeakPolarHBondContact CB-OH 3.13Å; D161-Y300 WeakPolarHBondContact OD1-CE2 3.36Å; D161-Y300 PolarHBondContact OD1-OH 3.11Å
162	L	93.7	Very high	92.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-41.6	177.7	-66.7	179.3	0	0	0	112.1	L149 W154 I157 S158 A159 R160 V164 L165 F166 V179 I181 A242	L149-L162 HydrophobicContact CD2-CD1 3.76Å; L149-L162 HydrophobicContact CD2-CD2 3.44Å; L149-L162 VanDerWaalsContact CD2-CD2 3.44Å; L149-L162 HydrophobicContact CD2-CG 4.22Å; W154-L162 HydrophobicContact CZ3-CD1 4.09Å; I157-L162 HydrophobicContact CG2-CD1 3.92Å; I157-L162 HydrophobicContact CG2-CD2 3.65Å; I157-L162 HydrophobicContact CG2-CG 3.49Å; I157-L162 VanDerWaalsContact CG2-CG 3.49Å; S158-L162 PolarHBondContact O-N 2.89Å; A159-L162 PolarHBondContact O-N 3.04Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.2Å; L162-V164 VanDerWaalsContact C-N 3.35Å; L162-V164 PolarHBondContact O-N 2.89Å; L162-L165 WeakPolarHBondContact O-CB 3.31Å; L162-L165 PolarHBondContact O-N 3.22Å; L162-F166 HydrophobicContact CB-CD2 4.35Å; L162-F166 HydrophobicContact CB-CE2 4.05Å; L162-F166 HydrophobicContact CD2-CE2 4.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.37Å; L162-F166 PolarHBondContact O-N 2.78Å; L162-V179 HydrophobicContact CB-CG1 3.86Å; L162-V179 HydrophobicContact CD1-CG1 4.19Å; L162-I181 HydrophobicContact CD1-CD1 4.44Å; L162-A242 HydrophobicContact CD1-CB 3.8Å
163	Y	94.2	Very high	92.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-48.5	176	-172.5	-78.2	0	0	0	110.8	A159 R160 L165 F166 N167 V176 V179 L293 C296	A159-Y163 PolarHBondContact O-N 3.38Å; R160-Y163 PolarHBondContact O-N 3.03Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 2.91Å; Y163-F166 PolarHBondContact O-N 3.2Å; Y163-N167 HydrophobicContact CD1-CB 4.21Å; Y163-N167 HydrophobicContact CE1-CB 4.09Å; Y163-N167 WeakPolarHBondContact O-CB 3.49Å; Y163-N167 PolarHBondContact O-N 3.16Å; Y163-V176 HydrophobicContact CD2-CG1 4.23Å; Y163-V176 HydrophobicContact CE2-CB 4.25Å; Y163-V176 HydrophobicContact CE2-CG1 4Å; Y163-V176 WeakPolarHBondContact CE2-O 3.4Å; Y163-V176 PolarHBondContact OH-O 3.44Å; Y163-V179 HydrophobicContact CD2-CG2 4.05Å; Y163-L293 HydrophobicContact CE1-CD1 4.28Å; Y163-L293 WeakPolarHBondContact OH-CA 3.31Å; Y163-L293 WeakPolarHBondContact OH-CB 3.37Å; Y163-L293 WeakPolarHBondContact OH-CD1 3.45Å; Y163-C296 HydrophobicContact CD1-CB 4.31Å; Y163-C296 WeakPolarHBondContact CD1-SG 3.42Å; Y163-C296 HydrophobicContact CE1-CB 4.33Å
164	V	93	Very high	92.1	Very high	42 Å²	42	42.1 Å²	42.1	26%	0.255	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-41.6	178.6	175.1	0	0	0	0	111.4	R160 D161 L162 S168 Y300	R160-V164 WeakPolarHBondContact O-CG2 3.49Å; R160-V164 PolarHBondContact O-N 3.02Å; D161-V164 PolarHBondContact O-N 2.77Å; L162-V164 VanDerWaalsContact C-N 3.35Å; L162-V164 PolarHBondContact O-N 2.89Å; V164-S168 PolarHBondContact O-N 3.13Å; V164-S168 VanDerWaalsContact O-N 3.15Å; V164-Y300 HydrophobicContact CB-CD1 4.3Å; V164-Y300 HydrophobicContact CB-CE1 4.07Å; V164-Y300 HydrophobicContact CG1-CD1 3.84Å; V164-Y300 HydrophobicContact CG1-CE1 3.75Å; V164-Y300 HydrophobicContact CG2-CD1 4.04Å; V164-Y300 HydrophobicContact CG2-CD2 4.18Å; V164-Y300 HydrophobicContact CG2-CE1 4.21Å; V164-Y300 HydrophobicContact CG2-CE2 4.34Å; V164-Y300 HydrophobicContact CG2-CG 4.01Å
165	L	92.4	Very high	92.2	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.131	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-57.8	175.7	-178.5	74.6	0	0	0	111.3	D161 L162 Y163 N167 S168 F169 Y264 I271	D161-L165 PolarHBondContact O-N 2.83Å; L162-L165 WeakPolarHBondContact O-CB 3.31Å; L162-L165 PolarHBondContact O-N 3.22Å; Y163-L165 VanDerWaalsContact C-N 3.31Å; Y163-L165 PolarHBondContact O-N 2.91Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 3.16Å; L165-S168 WeakPolarHBondContact O-CB 3.16Å; L165-S168 PolarHBondContact O-N 2.98Å; L165-S168 PolarHBondContact O-OG 2.75Å; L165-F169 HydrophobicContact CD1-CD2 4.27Å; L165-F169 HydrophobicContact CD1-CE2 3.78Å; L165-F169 HydrophobicContact CG-CD2 4.45Å; L165-F169 HydrophobicContact CG-CE2 4.43Å; L165-F169 VanDerWaalsContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CD2 3.34Å; L165-F169 PolarHBondContact O-N 3.05Å; L165-Y264 HydrophobicContact CD1-CD2 4.32Å; L165-Y264 HydrophobicContact CD1-CE2 4.36Å; L165-Y264 HydrophobicContact CD2-CD2 3.82Å; L165-Y264 HydrophobicContact CD2-CE2 4.08Å; L165-I271 HydrophobicContact CD2-CD1 3.86Å
166	F	93.8	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-30.1	-176.2	-62.3	-54.5	0	0	0	112.8	L149 L162 Y163 S168 F169 K170 V176 V179 I244 I255 C259 L273	L149-F166 HydrophobicContact CD2-CE2 4.3Å; L149-F166 HydrophobicContact CD2-CZ 4.11Å; L162-F166 HydrophobicContact CB-CD2 4.35Å; L162-F166 HydrophobicContact CB-CE2 4.05Å; L162-F166 HydrophobicContact CD2-CE2 4.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.37Å; L162-F166 PolarHBondContact O-N 2.78Å; Y163-F166 PolarHBondContact O-N 3.2Å; F166-S168 PolarHBondContact O-N 3.46Å; F166-F169 PolarHBondContact O-N 3.3Å; F166-K170 PolarHBondContact O-N 2.96Å; F166-V176 HydrophobicContact CB-CG2 4.39Å; F166-V179 HydrophobicContact CD2-CG2 4.36Å; F166-I244 HydrophobicContact CD1-CD1 4.37Å; F166-I244 HydrophobicContact CD2-CD1 3.6Å; F166-I244 HydrophobicContact CD2-CG1 3.8Å; F166-I244 HydrophobicContact CD2-CG2 4.33Å; F166-I244 HydrophobicContact CE1-CD1 4.01Å; F166-I244 HydrophobicContact CE2-CD1 3.18Å; F166-I244 HydrophobicContact CE2-CG1 3.69Å; F166-I244 HydrophobicContact CG-CD1 4.2Å; F166-I244 HydrophobicContact CZ-CD1 3.41Å; F166-I244 VanDerWaalsContact CZ-CD1 3.41Å; F166-I244 HydrophobicContact CZ-CG1 4.41Å; F166-I255 HydrophobicContact CB-CD1 4.45Å; F166-I255 HydrophobicContact CD1-CG2 3.48Å; F166-I255 VanDerWaalsContact CD1-CG2 3.48Å; F166-I255 HydrophobicContact CE1-CG2 4.04Å; F166-I255 HydrophobicContact CG-CG2 4.32Å; F166-C259 HydrophobicContact CE1-CB 4.34Å; F166-L273 HydrophobicContact CE1-CD1 4.16Å; F166-L273 HydrophobicContact CE1-CD2 4.08Å; F166-L273 HydrophobicContact CZ-CD2 3.95Å
167	N	92.3	Very high	92.6	Very high	56 Å²	56	45.2 Å²	45.2	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-27.1	173	-168.8	47.7	0	0	0	112.4	Y163 L165 K170	Y163-N167 HydrophobicContact CD1-CB 4.21Å; Y163-N167 HydrophobicContact CE1-CB 4.09Å; Y163-N167 WeakPolarHBondContact O-CB 3.49Å; Y163-N167 PolarHBondContact O-N 3.16Å; L165-N167 VanDerWaalsContact C-N 3.3Å; L165-N167 PolarHBondContact O-N 3.16Å; N167-K170 WeakPolarHBondContact O-CG 3.43Å; N167-K170 WeakPolarHBondContact OD1-CD 3.37Å; N167-K170 WeakPolarHBondContact OD1-CE 3.45Å
168	S	90.8	Very high	92.7	Very high	82 Å²	82	45.6 Å²	45.6	57%	0.573	25%	0.253	S	S	*	.	H	α-helix	trans	-78.2	-29.8	176.5	77.1	0	0	0	0	113.9	V164 L165 F166	V164-S168 PolarHBondContact O-N 3.13Å; V164-S168 VanDerWaalsContact O-N 3.15Å; L165-S168 WeakPolarHBondContact O-CB 3.16Å; L165-S168 PolarHBondContact O-N 2.98Å; L165-S168 PolarHBondContact O-OG 2.75Å; F166-S168 PolarHBondContact O-N 3.46Å
169	F	92.3	Very high	92.9	Very high	85 Å²	85	44.6 Å²	44.6	37%	0.373	25%	0.246	S	C	.	.	H	α-helix	trans	-97.2	-1.1	-177.7	-71.4	-75.2	0	0	0	114.3	L165 F166 N258 C259	L165-F169 HydrophobicContact CD1-CD2 4.27Å; L165-F169 HydrophobicContact CD1-CE2 3.78Å; L165-F169 HydrophobicContact CG-CD2 4.45Å; L165-F169 HydrophobicContact CG-CE2 4.43Å; L165-F169 VanDerWaalsContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CD2 3.34Å; L165-F169 PolarHBondContact O-N 3.05Å; F166-F169 PolarHBondContact O-N 3.3Å; F169-N258 HydrophobicContact CD1-CB 4.19Å; F169-C259 WeakPolarHBondContact CD2-SG 3.44Å; F169-C259 VanDerWaalsContact CG-SG 3.52Å
170	K	90.9	Very high	93	Very high	57 Å²	57	46 Å²	46	25%	0.248	25%	0.251	C	S	.	.	S	Bend	trans	-70.2	147.1	177.3	77.6	-171.8	-179	71.7	0	111.6	F166 N167 G174 V176 T251 I255	F166-K170 PolarHBondContact O-N 2.96Å; N167-K170 WeakPolarHBondContact O-CG 3.43Å; N167-K170 WeakPolarHBondContact OD1-CD 3.37Å; N167-K170 WeakPolarHBondContact OD1-CE 3.45Å; K170-G174 VanDerWaalsContact CD-O 3.32Å; K170-G174 WeakPolarHBondContact CD-O 3.41Å; K170-G174 WeakPolarHBondContact CE-O 3.38Å; K170-G174 PolarHBondContact NZ-O 3.04Å; K170-V176 HydrophobicContact CD-CG2 4.37Å; K170-T251 HydrophobicContact CB-CG2 4.37Å; K170-I255 HydrophobicContact CB-CD1 4.33Å
171	P	93.2	Very high	93.2	Very high	41 Å²	41	42.5 Å²	42.5	27%	0.266	24%	0.238	S	C	.	.			trans	-60	153.2	168.7	25.9	-34	0	0	0	110.6	T173 G174 T251 A254	P171-T173 PolarHBondContact O-N 3.12Å; P171-G174 PolarHBondContact O-N 2.95Å; P171-T251 HydrophobicContact CG-CG2 4.32Å; P171-A254 HydrophobicContact CG-CB 4.15Å
172	V	90.7	Very high	93.4	Very high	150 Å²	150	42.4 Å²	42.4	91%	0.909	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.2	-177.9	-176.8	0	0	0	0	112.2
173	T	91	Very high	93.5	Very high	127 Å²	127	43.3 Å²	43.3	78%	0.779	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.7	179.7	52.6	0	0	0	0	114.5	P171	P171-T173 PolarHBondContact O-N 3.12Å
174	G	92	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.			trans	-88.3	156.4	-171.2	0	0	0	0	0	113.3	K170 P171 D247 T251	K170-G174 VanDerWaalsContact CD-O 3.32Å; K170-G174 WeakPolarHBondContact CD-O 3.41Å; K170-G174 WeakPolarHBondContact CE-O 3.38Å; K170-G174 PolarHBondContact NZ-O 3.04Å; P171-G174 PolarHBondContact O-N 2.95Å; G174-D247 WeakPolarHBondContact CA-OD2 3.34Å; G174-T251 WeakPolarHBondContact CA-OG1 3.43Å
175	V	94.1	Very high	93.5	Very high	65 Å²	65	49.6 Å²	49.6	39%	0.394	27%	0.272	S	S	.	.			trans	-130.3	133.7	175.6	-178.4	0	0	0	0	110	D247	V175-D247 HydrophobicContact CB-CB 4.34Å; V175-D247 VanDerWaalsContact N-CG 3.26Å; V175-D247 PolarHBondContact N-OD1 2.87Å; V175-D247 PolarHBondContact N-OD2 3.46Å; V175-D247 PolarHBondContact O-N 3.44Å
176	V	94.9	Very high	93.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.2	168.2	-177.5	0	0	0	0	107.3	Y163 F166 K170 V179 I244 I255	Y163-V176 HydrophobicContact CD2-CG1 4.23Å; Y163-V176 HydrophobicContact CE2-CB 4.25Å; Y163-V176 HydrophobicContact CE2-CG1 4Å; Y163-V176 WeakPolarHBondContact CE2-O 3.4Å; Y163-V176 PolarHBondContact OH-O 3.44Å; F166-V176 HydrophobicContact CB-CG2 4.39Å; K170-V176 HydrophobicContact CD-CG2 4.37Å; V176-V179 HydrophobicContact CG1-CG2 4.25Å; V176-I244 HydrophobicContact CG1-CG2 3.95Å; V176-I255 HydrophobicContact CG2-CD1 3.97Å
177	H	93.6	Very high	93.6	Very high	109 Å²	109	51.4 Å²	51.4	51%	0.505	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-57.7	-177.5	-73.6	-59.2	0	0	0	110.9	D245	H177-D245 HydrophobicContact CB-CB 4.28Å; H177-D245 WeakPolarHBondContact CB-O 3.49Å; H177-D245 PolarHBondContact N-O 2.89Å
178	S	94.2	Very high	93.6	Very high	13 Å²	13	52.7 Å²	52.7	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157	-179	61.2	0	0	0	0	111.5	D245 A291	S178-D245 PolarHBondContact O-N 3.48Å; S178-A291 VanDerWaalsContact CA-O 3.32Å; S178-A291 WeakPolarHBondContact CA-O 3.44Å
179	V	95.7	Very high	93.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.5	168.8	-179.5	0	0	0	0	108	L162 Y163 F166 V176 A242 V243 I244 A291	L162-V179 HydrophobicContact CB-CG1 3.86Å; L162-V179 HydrophobicContact CD1-CG1 4.19Å; Y163-V179 HydrophobicContact CD2-CG2 4.05Å; F166-V179 HydrophobicContact CD2-CG2 4.36Å; V176-V179 HydrophobicContact CG1-CG2 4.25Å; V179-A242 HydrophobicContact CG1-CB 4.25Å; V179-V243 WeakPolarHBondContact CA-O 3.36Å; V179-I244 HydrophobicContact CG1-CG1 4.32Å; V179-I244 HydrophobicContact CG2-CG1 4.19Å; V179-I244 HydrophobicContact CG2-CG2 4.23Å; V179-A291 PolarHBondContact N-O 3.22Å; V179-A291 PolarHBondContact O-N 2.92Å
180	R	95.9	Very high	93.9	Very high	28 Å²	28	53.1 Å²	53.1	11%	0.106	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.3	-175.3	-61.8	-173.7	-82.6	-174	-4.3	110.8	Y182 A242 V243 D245 E284 T290	R180-Y182 HydrophobicContact CB-CD2 4.36Å; R180-Y182 HydrophobicContact CB-CE2 3.61Å; R180-Y182 WeakPolarHBondContact CD-OH 3.16Å; R180-Y182 PolarHBondContact NE-OH 3.13Å; R180-A242 CarbonylContact O-C 3.47Å; R180-A242 VanDerWaalsContact O-CA 3.25Å; R180-A242 WeakPolarHBondContact O-CA 3.35Å; R180-V243 PolarHBondContact N-O 3.21Å; R180-V243 PolarHBondContact O-N 2.97Å; R180-D245 IonicContact CZ-OD2 3.62Å; R180-D245 IonicContact NE-OD2 2.81Å; R180-D245 IonicContact NH2-OD2 3.83Å; R180-D245 PolarHBondContact NH2-OD2 3.38Å; R180-E284 IonicContact CZ-OE1 3.82Å; R180-E284 VanDerWaalsContact NH1-CD 3.34Å; R180-E284 IonicContact NH1-OE1 3.35Å; R180-E284 PolarHBondContact NH1-OE1 3.48Å; R180-T290 HydrophobicContact CB-CG2 4.45Å; R180-T290 HydrophobicContact CG-CG2 3.95Å
181	I	96.8	Very high	94	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.6	179.9	-59	177	0	0	0	109.2	W154 A159 L162 Y240 A242 A287 K288 D289	W154-I181 HydrophobicContact CE3-CD1 4.11Å; W154-I181 HydrophobicContact CE3-CG1 4.44Å; W154-I181 HydrophobicContact CE3-CG2 3.92Å; W154-I181 HydrophobicContact CZ3-CD1 4.19Å; W154-I181 HydrophobicContact CZ3-CG1 4.2Å; W154-I181 HydrophobicContact CZ3-CG2 4.2Å; A159-I181 HydrophobicContact CB-CD1 4.05Å; A159-I181 HydrophobicContact CB-CG1 4.17Å; L162-I181 HydrophobicContact CD1-CD1 4.44Å; I181-Y240 HydrophobicContact CG2-CD1 4.26Å; I181-Y240 HydrophobicContact CG2-CG 4.37Å; I181-A242 HydrophobicContact CG1-CB 4.08Å; I181-A287 CarbonylContact O-C 3.59Å; I181-A287 WeakPolarHBondContact O-CA 3.35Å; I181-K288 PolarHBondContact O-N 2.73Å; I181-D289 HydrophobicContact CB-CB 4.45Å; I181-D289 HydrophobicContact CD1-CB 4.29Å; I181-D289 PolarHBondContact N-O 3.21Å
182	Y	95.9	Very high	94	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143	-179.9	-66.9	-76.7	0	0	0	111.4	R180 Y240 Y241 V243 F282 D283 L286 A287	R180-Y182 HydrophobicContact CB-CD2 4.36Å; R180-Y182 HydrophobicContact CB-CE2 3.61Å; R180-Y182 WeakPolarHBondContact CD-OH 3.16Å; R180-Y182 PolarHBondContact NE-OH 3.13Å; Y182-Y240 CarbonylContact O-C 3.58Å; Y182-Y240 WeakPolarHBondContact O-CA 3.5Å; Y182-Y240 WeakPolarHBondContact O-CB 3.46Å; Y182-Y241 VanDerWaalsContact CB-CZ 3.48Å; Y182-Y241 HydrophobicContact CD2-CE2 4.12Å; Y182-Y241 HydrophobicContact CG-CE2 4.37Å; Y182-Y241 PolarHBondContact N-O 3.21Å; Y182-Y241 WeakPolarHBondContact O-CD1 3.5Å; Y182-Y241 PolarHBondContact O-N 2.85Å; Y182-V243 HydrophobicContact CD2-CB 4.26Å; Y182-V243 HydrophobicContact CD2-CG2 3.75Å; Y182-V243 HydrophobicContact CE2-CB 4.03Å; Y182-V243 HydrophobicContact CE2-CG2 3.89Å; Y182-F282 HydrophobicContact CE1-CB 4.35Å; Y182-F282 HydrophobicContact CE2-CB 4.18Å; Y182-F282 HydrophobicContact CE2-CD1 4.49Å; Y182-F282 HydrophobicContact CE2-CG 4.35Å; Y182-D283 VanDerWaalsContact CE1-O 3.29Å; Y182-D283 WeakPolarHBondContact CE1-O 3.33Å; Y182-L286 HydrophobicContact CD1-CB 4.44Å; Y182-A287 HydrophobicContact CD1-CB 4.21Å; Y182-A287 HydrophobicContact CE1-CB 3.75Å
183	P	95.6	Very high	94.1	Very high	20 Å²	20	51 Å²	51	13%	0.13	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.7	168.2	31.4	-33.6	0	0	0	109.8	L188 M191 Y240 L286	P183-L188 HydrophobicContact CB-CD1 4.49Å; P183-L188 HydrophobicContact CB-CD2 3.9Å; P183-L188 HydrophobicContact CB-CG 3.97Å; P183-L188 HydrophobicContact CG-CD1 4.39Å; P183-L188 HydrophobicContact CG-CD2 4.05Å; P183-L188 HydrophobicContact CG-CG 4.3Å; P183-M191 HydrophobicContact CB-CE 4.28Å; P183-Y240 VanDerWaalsContact CA-CD1 3.48Å; P183-Y240 HydrophobicContact CB-CD1 3.89Å; P183-Y240 HydrophobicContact CB-CE1 3.81Å; P183-L286 WeakPolarHBondContact CD-O 3.45Å
184	S	94.6	Very high	94.2	Very high	19 Å²	19	45.7 Å²	45.7	13%	0.133	23%	0.228	C	C	.	.			trans	-76.3	153.9	173.5	76.6	0	0	0	0	110.5	F186 G187 L188 R238 Y239	S184-F186 PolarHBondContact O-N 3.15Å; S184-G187 PolarHBondContact O-N 3.15Å; S184-G187 PolarHBondContact OG-N 3.04Å; S184-L188 WeakPolarHBondContact O-CG 3.45Å; S184-L188 PolarHBondContact O-N 3.36Å; S184-R238 WeakPolarHBondContact CB-O 3.42Å; S184-R238 PolarHBondContact OG-O 3.42Å; S184-Y239 PolarHBondContact N-O 3.32Å; S184-Y239 PolarHBondContact OG-O 3.13Å
185	E	93.5	Very high	94.1	Very high	156 Å²	156	54 Å²	54	73%	0.729	27%	0.267	S	S	*	.	H	α-helix	trans	-58.2	-33.6	174.1	-63.2	-174.9	176.6	0	0	112.1	K189	E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.85Å
186	F	93.5	Very high	94	Very high	64 Å²	64	58.2 Å²	58.2	28%	0.281	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-47.7	173.6	175.1	-102.5	0	0	0	111.1	S184 K189 R190 R238 Y239	S184-F186 PolarHBondContact O-N 3.15Å; F186-K189 PolarHBondContact O-N 3.38Å; F186-R190 HydrophobicContact CD1-CG 4.41Å; F186-R190 HydrophobicContact CD2-CG 4.39Å; F186-R190 HydrophobicContact CE1-CG 4Å; F186-R190 HydrophobicContact CE2-CG 3.97Å; F186-R190 HydrophobicContact CZ-CG 3.76Å; F186-R190 WeakPolarHBondContact O-CB 3.16Å; F186-R190 WeakPolarHBondContact O-CG 3.4Å; F186-R190 PolarHBondContact O-N 3.04Å; F186-R238 HydrophobicContact CD1-CB 4.09Å; F186-R238 HydrophobicContact CE1-CB 4.28Å; F186-Y239 HydrophobicContact CD1-CD1 4.2Å; F186-Y239 HydrophobicContact CD1-CE1 4.32Å; F186-Y239 HydrophobicContact CE1-CD1 4.1Å; F186-Y239 AromaticContact CE1-CE1 3.83Å; F186-Y239 HydrophobicContact CE1-CE1 3.83Å
187	G	93.7	Very high	93.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-44	176.6	0	0	0	0	0	112.5	S184 K189 R190 M191	S184-G187 PolarHBondContact O-N 3.15Å; S184-G187 PolarHBondContact OG-N 3.04Å; G187-K189 PolarHBondContact O-N 3.04Å; G187-R190 PolarHBondContact O-N 3.14Å; G187-M191 VanDerWaalsContact O-CB 3.3Å; G187-M191 WeakPolarHBondContact O-CB 3.31Å; G187-M191 WeakPolarHBondContact O-CE 3.35Å; G187-M191 VanDerWaalsContact O-CG 3.23Å; G187-M191 WeakPolarHBondContact O-CG 3.41Å; G187-M191 PolarHBondContact O-N 3.25Å
188	L	93.7	Very high	93.6	Very high	83 Å²	83	55.9 Å²	55.9	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-45.3	177.3	-72.3	169.2	0	0	0	112.1	P183 S184 M191 A192	P183-L188 HydrophobicContact CB-CD1 4.49Å; P183-L188 HydrophobicContact CB-CD2 3.9Å; P183-L188 HydrophobicContact CB-CG 3.97Å; P183-L188 HydrophobicContact CG-CD1 4.39Å; P183-L188 HydrophobicContact CG-CD2 4.05Å; P183-L188 HydrophobicContact CG-CG 4.3Å; S184-L188 WeakPolarHBondContact O-CG 3.45Å; S184-L188 PolarHBondContact O-N 3.36Å; L188-M191 HydrophobicContact CD2-CE 4.09Å; L188-A192 WeakPolarHBondContact O-CB 3.28Å; L188-A192 PolarHBondContact O-N 3.43Å; L188-A192 VanDerWaalsContact O-N 3.14Å
189	K	94.7	Very high	93.4	Very high	134 Å²	134	55.7 Å²	55.7	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-63.9	-47.5	176.3	-71.1	173.9	-174.1	172.8	0	111.5	E185 F186 G187 A192 E193	E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.85Å; F186-K189 PolarHBondContact O-N 3.38Å; G187-K189 PolarHBondContact O-N 3.04Å; K189-A192 PolarHBondContact O-N 3.41Å; K189-E193 WeakPolarHBondContact O-CG 3.4Å; K189-E193 PolarHBondContact O-N 3.37Å
190	R	93.9	Very high	92.9	Very high	41 Å²	41	58 Å²	58	16%	0.155	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-42.6	179.7	-73.9	-55.8	-161.1	99.9	-7	112.9	F186 G187 A192 E193 E194 E201 Y239	F186-R190 HydrophobicContact CD1-CG 4.41Å; F186-R190 HydrophobicContact CD2-CG 4.39Å; F186-R190 HydrophobicContact CE1-CG 4Å; F186-R190 HydrophobicContact CE2-CG 3.97Å; F186-R190 HydrophobicContact CZ-CG 3.76Å; F186-R190 WeakPolarHBondContact O-CB 3.16Å; F186-R190 WeakPolarHBondContact O-CG 3.4Å; F186-R190 PolarHBondContact O-N 3.04Å; G187-R190 PolarHBondContact O-N 3.14Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.29Å; R190-E193 PolarHBondContact O-N 2.96Å; R190-E194 WeakPolarHBondContact O-CB 3.49Å; R190-E194 WeakPolarHBondContact O-CG 3.31Å; R190-E194 PolarHBondContact O-N 3.47Å; R190-E201 IonicContact CZ-OE1 2.96Å; R190-E201 IonicContact NH1-OE1 3.52Å; R190-E201 PolarHBondContact NH1-OE1 3.39Å; R190-E201 IonicContact NH1-OE2 2.72Å; R190-E201 PolarHBondContact NH1-OE2 2.92Å; R190-E201 IonicContact NH2-OE1 2.85Å; R190-E201 PolarHBondContact NH2-OE1 2.98Å; R190-Y239 HydrophobicContact CB-CE1 3.77Å; R190-Y239 HydrophobicContact CB-CE2 4.19Å; R190-Y239 WeakPolarHBondContact CB-OH 3.46Å; R190-Y239 HydrophobicContact CG-CE1 3.97Å
191	M	91.9	Very high	92.4	Very high	55 Å²	55	58.4 Å²	58.4	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-40.8	175.8	-74.1	-174.4	-70.7	0	0	111.5	P183 G187 L188 E194 E195 Y239 Y240	P183-M191 HydrophobicContact CB-CE 4.28Å; G187-M191 VanDerWaalsContact O-CB 3.3Å; G187-M191 WeakPolarHBondContact O-CB 3.31Å; G187-M191 WeakPolarHBondContact O-CE 3.35Å; G187-M191 VanDerWaalsContact O-CG 3.23Å; G187-M191 WeakPolarHBondContact O-CG 3.41Å; G187-M191 PolarHBondContact O-N 3.25Å; L188-M191 HydrophobicContact CD2-CE 4.09Å; M191-E194 PolarHBondContact O-N 3.04Å; M191-E195 WeakPolarHBondContact O-CB 3.32Å; M191-E195 PolarHBondContact O-N 3.42Å; M191-Y239 HydrophobicContact CG-CD2 4.03Å; M191-Y239 HydrophobicContact CG-CE2 4.28Å; M191-Y240 PolarHBondContact SD-OH 3.04Å; M191-Y240 VanDerWaalsContact SD-OH 3.38Å
192	A	94.3	Very high	91.8	Very high	48 Å²	48	60 Å²	60	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-38.6	175.8	0	0	0	0	0	112.8	L188 K189 R190 I196	L188-A192 WeakPolarHBondContact O-CB 3.28Å; L188-A192 PolarHBondContact O-N 3.43Å; L188-A192 VanDerWaalsContact O-N 3.14Å; K189-A192 PolarHBondContact O-N 3.41Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.29Å; A192-I196 WeakPolarHBondContact O-CG1 3.19Å
193	E	93	Very high	91.1	Very high	101 Å²	101	64.7 Å²	64.7	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-42.7	174.6	-72.3	171.4	-174.4	0	0	112	K189 R190 I196 A197	K189-E193 WeakPolarHBondContact O-CG 3.4Å; K189-E193 PolarHBondContact O-N 3.37Å; R190-E193 PolarHBondContact O-N 2.96Å; E193-I196 PolarHBondContact O-N 2.96Å; E193-A197 PolarHBondContact O-N 3.45Å
194	E	92.3	Very high	89.9	Confident	16 Å²	16	67.4 Å²	67.4	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-36.2	179	-78.3	175	-143.3	0	0	112.8	R190 M191 I196 G198 Y232 Y239 W319	R190-E194 WeakPolarHBondContact O-CB 3.49Å; R190-E194 WeakPolarHBondContact O-CG 3.31Å; R190-E194 PolarHBondContact O-N 3.47Å; M191-E194 PolarHBondContact O-N 3.04Å; E194-I196 PolarHBondContact O-N 2.78Å; E194-G198 VanDerWaalsContact O-CA 3.23Å; E194-G198 WeakPolarHBondContact O-CA 3.37Å; E194-G198 PolarHBondContact O-N 3.17Å; E194-Y232 WeakPolarHBondContact OE1-CE2 3.46Å; E194-Y232 PolarHBondContact OE2-OH 2.96Å; E194-Y239 PolarHBondContact OE1-OH 3.47Å; E194-W319 VanDerWaalsContact OE2-CD1 3.32Å; E194-W319 PolarHBondContact OE2-NE1 3.4Å
195	E	90.9	Very high	88.8	Confident	173 Å²	173	70.8 Å²	70.8	81%	0.808	36%	0.362	S	S	*	.	H	α-helix	trans	-60.7	-36.1	175.5	-173.4	177.1	-174.8	0	0	111.5	M191	M191-E195 WeakPolarHBondContact O-CB 3.32Å; M191-E195 PolarHBondContact O-N 3.42Å
196	I	92	Very high	87.4	Confident	154 Å²	154	70.2 Å²	70.2	79%	0.79	37%	0.369	S	S	*	.	H	α-helix	trans	-82.2	-45.2	179.9	-61.2	168.3	0	0	0	111.2	A192 E193 E194	A192-I196 WeakPolarHBondContact O-CG1 3.19Å; E193-I196 PolarHBondContact O-N 2.96Å; E194-I196 PolarHBondContact O-N 2.78Å
197	A	88.8	Confident	86.1	Confident	52 Å²	52	74.5 Å²	74.5	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-131.1	0.7	-160.7	0	0	0	0	0	114.7	E193 K203	E193-A197 PolarHBondContact O-N 3.45Å; A197-K203 WeakPolarHBondContact O-CE 3.44Å; A197-K203 PolarHBondContact O-NZ 3.26Å; A197-K203 VanDerWaalsContact O-NZ 3.09Å
198	G	89.8	Confident	84.9	Confident	10 Å²	10	76.9 Å²	76.9	10%	0.103	41%	0.407	C	S	.	.			trans	68.2	-177.5	-171	0	0	0	0	0	113.9	E194 P200	E194-G198 VanDerWaalsContact O-CA 3.23Å; E194-G198 WeakPolarHBondContact O-CA 3.37Å; E194-G198 PolarHBondContact O-N 3.17Å; G198-P200 WeakPolarHBondContact O-CD 3.45Å; G198-P200 VanDerWaalsContact O-N 3.15Å
199	P	90.4	Very high	83.7	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.052	42%	0.422	C	S	.	.			trans	-59.2	114.9	-177.5	-28.2	38.6	0	0	0	110.8	E201 L202 Y232 W319	P199-E201 VanDerWaalsContact C-N 3.25Å; P199-E201 PolarHBondContact O-N 3.12Å; P199-L202 HydrophobicContact CB-CB 4.16Å; P199-L202 HydrophobicContact CB-CD1 3.9Å; P199-L202 HydrophobicContact CB-CG 3.85Å; P199-L202 HydrophobicContact CG-CD1 4.18Å; P199-L202 PolarHBondContact O-N 2.93Å; P199-Y232 HydrophobicContact CB-CD2 3.75Å; P199-Y232 HydrophobicContact CB-CE2 3.57Å; P199-Y232 HydrophobicContact CB-CG 4.38Å; P199-Y232 HydrophobicContact CG-CD2 4.4Å; P199-Y232 HydrophobicContact CG-CE1 4.42Å; P199-Y232 HydrophobicContact CG-CE2 3.8Å; P199-W319 VanDerWaalsContact CD-CD2 3.46Å; P199-W319 HydrophobicContact CG-CB 4.09Å; P199-W319 HydrophobicContact CG-CD2 3.51Å; P199-W319 HydrophobicContact CG-CE3 4Å; P199-W319 HydrophobicContact CG-CG 3.51Å
200	P	85.4	Confident	82.5	Confident	50 Å²	50	77.5 Å²	77.5	33%	0.325	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-64	-32.9	-174.9	23.8	-31.3	0	0	0	112	G198 L202 K203	G198-P200 WeakPolarHBondContact O-CD 3.45Å; G198-P200 VanDerWaalsContact O-N 3.15Å; P200-L202 PolarHBondContact O-N 3.15Å; P200-K203 PolarHBondContact O-N 3.08Å
201	E	84.8	Confident	81.2	Confident	36 Å²	36	76.8 Å²	76.8	17%	0.168	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-65.1	-25.9	178.6	-64.8	84.1	176.4	0	0	113.6	R190 P199 K228	R190-E201 IonicContact CZ-OE1 2.96Å; R190-E201 IonicContact NH1-OE1 3.52Å; R190-E201 PolarHBondContact NH1-OE1 3.39Å; R190-E201 IonicContact NH1-OE2 2.72Å; R190-E201 PolarHBondContact NH1-OE2 2.92Å; R190-E201 IonicContact NH2-OE1 2.85Å; R190-E201 PolarHBondContact NH2-OE1 2.98Å; P199-E201 VanDerWaalsContact C-N 3.25Å; P199-E201 PolarHBondContact O-N 3.12Å; E201-K228 WeakPolarHBondContact O-CD 3.16Å
202	L	84.8	Confident	80.1	Confident	37 Å²	37	81.8 Å²	81.8	19%	0.194	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-94	0.3	-174.4	-56.5	-172.6	0	0	0	113.2	P199 P200 N204 K228 M229 Y232 L317	P199-L202 HydrophobicContact CB-CB 4.16Å; P199-L202 HydrophobicContact CB-CD1 3.9Å; P199-L202 HydrophobicContact CB-CG 3.85Å; P199-L202 HydrophobicContact CG-CD1 4.18Å; P199-L202 PolarHBondContact O-N 2.93Å; P200-L202 PolarHBondContact O-N 3.15Å; L202-N204 PolarHBondContact O-N 3.23Å; L202-K228 HydrophobicContact CD2-CB 4.32Å; L202-M229 HydrophobicContact CD1-CE 3.49Å; L202-M229 VanDerWaalsContact CD1-CE 3.49Å; L202-M229 HydrophobicContact CD1-SD 3.79Å; L202-M229 HydrophobicContact CD2-CE 3.85Å; L202-M229 HydrophobicContact CD2-CG 4.38Å; L202-M229 HydrophobicContact CD2-SD 3.26Å; L202-M229 WeakPolarHBondContact CD2-SD 3.44Å; L202-M229 HydrophobicContact CG-CE 4.32Å; L202-M229 HydrophobicContact CG-SD 4.11Å; L202-Y232 HydrophobicContact CD1-CD1 4.49Å; L202-L317 HydrophobicContact CD1-CD1 3.72Å; L202-L317 HydrophobicContact CD1-CD2 3.98Å; L202-L317 HydrophobicContact CD1-CG 4.47Å
203	K	81.3	Confident	78.9	Confident	101 Å²	101	86.4 Å²	86.4	44%	0.439	46%	0.462	S	S	.	.	S	Bend	trans	-69	128.9	173.6	-68.2	178.7	-177.6	170.3	0	108.6	A197 P200 D205	A197-K203 WeakPolarHBondContact O-CE 3.44Å; A197-K203 PolarHBondContact O-NZ 3.26Å; A197-K203 VanDerWaalsContact O-NZ 3.09Å; P200-K203 PolarHBondContact O-N 3.08Å; K203-D205 PolarHBondContact O-N 2.9Å
204	N	71.6	Confident	77.9	Confident	78 Å²	78	90.6 Å²	90.6	42%	0.417	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-61	136.9	169.6	-67.1	-21.2	0	0	0	107.9	L202 V206 A211	L202-N204 PolarHBondContact O-N 3.23Å; N204-V206 PolarHBondContact O-N 3.03Å; N204-A211 HydrophobicContact CB-CB 4.25Å
205	D	70.4	Confident	77.1	Confident	90 Å²	90	92.3 Å²	92.3	48%	0.481	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.8	123.5	173.2	-58.5	-56.3	0	0	0	106.7	K203 D207 D208 K228	K203-D205 PolarHBondContact O-N 2.9Å; D205-D207 PolarHBondContact O-N 3.03Å; D205-D208 PolarHBondContact O-N 3.36Å; D205-K228 IonicContact OD1-NZ 3.99Å; D205-K228 IonicContact OD2-NZ 3.34Å; D205-K228 PolarHBondContact OD2-NZ 3.49Å
206	V	65.1	Low	76.6	Confident	144 Å²	144	89 Å²	89	87%	0.873	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.6	-171.9	179.1	0	0	0	0	112	N204	N204-V206 PolarHBondContact O-N 3.03Å
207	D	65.6	Low	76.1	Confident	154 Å²	154	89.9 Å²	89.9	82%	0.824	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.1	-178.7	-58.1	-49.4	0	0	0	114.2	D205 P209	D205-D207 PolarHBondContact O-N 3.03Å; D207-P209 WeakPolarHBondContact O-CD 3.33Å
208	D	69.1	Low	75.8	Confident	49 Å²	49	89.2 Å²	89.2	26%	0.262	48%	0.478	S	S	.	.			trans	-81.2	105.3	176.9	-173.7	-2.7	0	0	0	110.5	D205 E210 A211 R221	D205-D208 PolarHBondContact O-N 3.36Å; D208-E210 PolarHBondContact O-N 2.95Å; D208-E210 VanDerWaalsContact O-N 3.13Å; D208-E210 PolarHBondContact OD1-N 3.24Å; D208-A211 HydrophobicContact CB-CB 4.47Å; D208-A211 VanDerWaalsContact O-CB 3.28Å; D208-A211 WeakPolarHBondContact O-CB 3.38Å; D208-A211 PolarHBondContact O-N 2.73Å; D208-A211 VanDerWaalsContact O-N 3.08Å; D208-R221 IonicContact OD1-NH1 3.58Å; D208-R221 IonicContact OD2-CZ 2.86Å; D208-R221 IonicContact OD2-NE 3.99Å; D208-R221 PolarHBondContact OD2-NE 3.17Å; D208-R221 IonicContact OD2-NH1 3.34Å; D208-R221 PolarHBondContact OD2-NH1 3.06Å
209	P	68.4	Low	75.6	Confident	115 Å²	115	90.5 Å²	90.5	75%	0.747	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.4	-178.7	31.1	-36.9	0	0	0	112.4	D207	D207-P209 WeakPolarHBondContact O-CD 3.33Å
210	E	68.3	Low	75.2	Confident	116 Å²	116	95 Å²	95	54%	0.542	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.4	179.1	-67.1	-177.9	-175.7	0	0	112.2	D208 D212 F213 R221	D208-E210 PolarHBondContact O-N 2.95Å; D208-E210 VanDerWaalsContact O-N 3.13Å; D208-E210 PolarHBondContact OD1-N 3.24Å; E210-D212 PolarHBondContact O-N 3.1Å; E210-F213 HydrophobicContact CB-CD2 4.03Å; E210-F213 HydrophobicContact CG-CD2 4.32Å; E210-F213 WeakPolarHBondContact O-CD2 3.45Å; E210-F213 PolarHBondContact O-N 2.97Å; E210-R221 PolarHBondContact O-NH1 2.9Å; E210-R221 PolarHBondContact O-NH2 3.41Å
211	A	67.3	Low	75.1	Confident	25 Å²	25	94.8 Å²	94.8	21%	0.207	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-35.3	-170.8	0	0	0	0	0	113.8	N204 D208 R221	N204-A211 HydrophobicContact CB-CB 4.25Å; D208-A211 HydrophobicContact CB-CB 4.47Å; D208-A211 VanDerWaalsContact O-CB 3.28Å; D208-A211 WeakPolarHBondContact O-CB 3.38Å; D208-A211 PolarHBondContact O-N 2.73Å; D208-A211 VanDerWaalsContact O-N 3.08Å; A211-R221 VanDerWaalsContact CA-NH2 3.28Å; A211-R221 PolarHBondContact O-NH2 3.13Å
212	D	69.7	Low	75	Confident	161 Å²	161	95.8 Å²	95.8	86%	0.861	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12	-177.1	-66.7	-15.6	0	0	0	114.9	E210	E210-D212 PolarHBondContact O-N 3.1Å
213	F	67.5	Low	75.1	Confident	145 Å²	145	98 Å²	98	64%	0.636	51%	0.513	S	S	*	.	S	Bend	trans	-80.8	147	179.8	-64.4	-90.6	0	0	0	111.8	E210 L215	E210-F213 HydrophobicContact CB-CD2 4.03Å; E210-F213 HydrophobicContact CG-CD2 4.32Å; E210-F213 WeakPolarHBondContact O-CD2 3.45Å; E210-F213 PolarHBondContact O-N 2.97Å; F213-L215 PolarHBondContact O-N 3.13Å
214	E	72.1	Confident	75.3	Confident	189 Å²	189	97.9 Å²	97.9	88%	0.883	51%	0.514	S	S	*	.			trans	-58.5	126.2	173.8	-74.1	-172.6	176.6	0	0	110.5	V216	E214-V216 PolarHBondContact O-N 2.84Å
215	L	76	Confident	76	Confident	51 Å²	51	96.8 Å²	96.8	27%	0.267	51%	0.506	S	S	.	.			trans	-65.8	112.1	176.4	-84.5	98.4	0	0	0	111.1	F213 K217 R221 W222 Q225	F213-L215 PolarHBondContact O-N 3.13Å; L215-K217 PolarHBondContact O-N 2.9Å; L215-R221 HydrophobicContact CD2-CG 3.96Å; L215-W222 HydrophobicContact CD2-CB 4.19Å; L215-Q225 HydrophobicContact CD2-CB 3.91Å; L215-Q225 HydrophobicContact CD2-CG 4.45Å
216	V	79.9	Confident	76.8	Confident	105 Å²	105	94 Å²	94	64%	0.636	49%	0.49	S	S	*	.			trans	-69.8	120.2	173	-178.2	0	0	0	0	109.2	E214 G218 S219 W222	E214-V216 PolarHBondContact O-N 2.84Å; V216-G218 PolarHBondContact O-N 3.47Å; V216-S219 WeakPolarHBondContact O-CB 3.41Å; V216-S219 PolarHBondContact O-N 3.41Å; V216-S219 PolarHBondContact O-OG 3.04Å; V216-W222 VanDerWaalsContact O-CB 3.31Å; V216-W222 WeakPolarHBondContact O-CB 3.46Å
217	K	82.5	Confident	78	Confident	172 Å²	172	87.8 Å²	87.8	75%	0.748	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	126.4	176.1	-67.9	178.4	-177.3	168.8	0	110.1	L215	L215-K217 PolarHBondContact O-N 2.9Å
218	G	81.3	Confident	79.1	Confident	37 Å²	37	82 Å²	82	38%	0.381	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-4.7	-178.3	0	0	0	0	0	114.9	V216	V216-G218 PolarHBondContact O-N 3.47Å
219	S	85.8	Confident	80.1	Confident	37 Å²	37	80.6 Å²	80.6	26%	0.259	41%	0.414	S	S	.	.	S	Bend	trans	-68	157.1	168.2	63.7	0	0	0	0	111.6	V216 R221 W222 L223	V216-S219 WeakPolarHBondContact O-CB 3.41Å; V216-S219 PolarHBondContact O-N 3.41Å; V216-S219 PolarHBondContact O-OG 3.04Å; S219-R221 VanDerWaalsContact C-N 3.27Å; S219-R221 PolarHBondContact O-N 3.04Å; S219-W222 WeakPolarHBondContact O-CB 3.41Å; S219-W222 PolarHBondContact O-N 3.06Å; S219-W222 VanDerWaalsContact OG-CB 3.31Å; S219-W222 WeakPolarHBondContact OG-CB 3.45Å; S219-W222 PolarHBondContact OG-N 3.37Å; S219-W222 VanDerWaalsContact OG-N 3.13Å; S219-L223 PolarHBondContact O-N 2.74Å
220	Q	83	Confident	81.2	Confident	102 Å²	102	77.4 Å²	77.4	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-42.2	174.5	-75.7	-66.5	-62.6	0	0	111.9	W117 W222 L223 H224	W117-Q220 HydrophobicContact CZ3-CG 4.37Å; Q220-W222 VanDerWaalsContact C-N 3.33Å; Q220-W222 PolarHBondContact O-N 3.28Å; Q220-L223 WeakPolarHBondContact O-CB 3.5Å; Q220-L223 PolarHBondContact O-N 3.06Å; Q220-H224 PolarHBondContact O-N 3.33Å
221	R	81.8	Confident	82.3	Confident	46 Å²	46	75.3 Å²	75.3	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-37.9	174.4	-179.1	169.7	156	-164.1	-14.5	113	D208 E210 A211 L215 S219 L223 H224 Q225	D208-R221 IonicContact OD1-NH1 3.58Å; D208-R221 IonicContact OD2-CZ 2.86Å; D208-R221 IonicContact OD2-NE 3.99Å; D208-R221 PolarHBondContact OD2-NE 3.17Å; D208-R221 IonicContact OD2-NH1 3.34Å; D208-R221 PolarHBondContact OD2-NH1 3.06Å; E210-R221 PolarHBondContact O-NH1 2.9Å; E210-R221 PolarHBondContact O-NH2 3.41Å; A211-R221 VanDerWaalsContact CA-NH2 3.28Å; A211-R221 PolarHBondContact O-NH2 3.13Å; L215-R221 HydrophobicContact CD2-CG 3.96Å; S219-R221 VanDerWaalsContact C-N 3.27Å; S219-R221 PolarHBondContact O-N 3.04Å; R221-L223 VanDerWaalsContact C-N 3.33Å; R221-H224 PolarHBondContact O-N 3.27Å; R221-Q225 WeakPolarHBondContact O-CB 3.48Å; R221-Q225 PolarHBondContact O-N 2.83Å
222	W	84.5	Confident	83.5	Confident	57 Å²	57	74.1 Å²	74.1	22%	0.216	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-40.9	174.5	179.3	81.8	0	0	0	111.8	L215 V216 S219 Q220 M226	L215-W222 HydrophobicContact CD2-CB 4.19Å; V216-W222 VanDerWaalsContact O-CB 3.31Å; V216-W222 WeakPolarHBondContact O-CB 3.46Å; S219-W222 WeakPolarHBondContact O-CB 3.41Å; S219-W222 PolarHBondContact O-N 3.06Å; S219-W222 VanDerWaalsContact OG-CB 3.31Å; S219-W222 WeakPolarHBondContact OG-CB 3.45Å; S219-W222 PolarHBondContact OG-N 3.37Å; S219-W222 VanDerWaalsContact OG-N 3.13Å; Q220-W222 VanDerWaalsContact C-N 3.33Å; Q220-W222 PolarHBondContact O-N 3.28Å; W222-M226 HydrophobicContact CD2-CG 4.12Å; W222-M226 HydrophobicContact CE3-CG 4.48Å; W222-M226 HydrophobicContact CH2-CG 4.24Å; W222-M226 HydrophobicContact CZ2-CG 3.84Å; W222-M226 HydrophobicContact CZ2-SD 4.2Å; W222-M226 WeakPolarHBondContact O-CB 2.95Å; W222-M226 WeakPolarHBondContact O-CG 3.46Å; W222-M226 PolarHBondContact O-N 2.93Å
223	L	86	Confident	84.6	Confident	83 Å²	83	67.3 Å²	67.3	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-44.6	174.6	-66.8	171.5	0	0	0	111.8	S219 Q220 R221 M226 A227	S219-L223 PolarHBondContact O-N 2.74Å; Q220-L223 WeakPolarHBondContact O-CB 3.5Å; Q220-L223 PolarHBondContact O-N 3.06Å; R221-L223 VanDerWaalsContact C-N 3.33Å; L223-M226 PolarHBondContact O-N 3.5Å; L223-A227 PolarHBondContact O-N 2.68Å
224	H	85.6	Confident	85.8	Confident	100 Å²	100	61.2 Å²	61.2	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-46.8	176.6	-173.2	53.6	0	0	0	112.3	Q220 R221 M226 A227 K228	Q220-H224 PolarHBondContact O-N 3.33Å; R221-H224 PolarHBondContact O-N 3.27Å; H224-M226 VanDerWaalsContact C-N 3.35Å; H224-M226 PolarHBondContact O-N 2.85Å; H224-A227 WeakPolarHBondContact O-CB 3.49Å; H224-A227 PolarHBondContact O-N 3.17Å; H224-A227 VanDerWaalsContact O-N 3.14Å; H224-K228 VanDerWaalsContact NE2-CE 3.35Å; H224-K228 WeakPolarHBondContact NE2-CE 3.22Å; H224-K228 PolarHBondContact O-N 2.99Å
225	Q	85.7	Confident	86.7	Confident	54 Å²	54	53.4 Å²	53.4	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.2	-167.4	179.1	47	0	0	110.4	L215 R221 A227 K228 M229	L215-Q225 HydrophobicContact CD2-CB 3.91Å; L215-Q225 HydrophobicContact CD2-CG 4.45Å; R221-Q225 WeakPolarHBondContact O-CB 3.48Å; R221-Q225 PolarHBondContact O-N 2.83Å; Q225-A227 VanDerWaalsContact C-N 3.26Å; Q225-A227 PolarHBondContact O-N 2.9Å; Q225-K228 WeakPolarHBondContact O-CB 3.41Å; Q225-K228 PolarHBondContact O-N 3.28Å; Q225-M229 WeakPolarHBondContact O-CG 3.26Å; Q225-M229 PolarHBondContact O-N 2.82Å
226	M	88.4	Confident	87.5	Confident	31 Å²	31	54.1 Å²	54.1	15%	0.153	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-34.4	175.1	-72.6	-66.1	110.5	0	0	112.8	W222 L223 H224 M229 R230	W222-M226 HydrophobicContact CD2-CG 4.12Å; W222-M226 HydrophobicContact CE3-CG 4.48Å; W222-M226 HydrophobicContact CH2-CG 4.24Å; W222-M226 HydrophobicContact CZ2-CG 3.84Å; W222-M226 HydrophobicContact CZ2-SD 4.2Å; W222-M226 WeakPolarHBondContact O-CB 2.95Å; W222-M226 WeakPolarHBondContact O-CG 3.46Å; W222-M226 PolarHBondContact O-N 2.93Å; L223-M226 PolarHBondContact O-N 3.5Å; H224-M226 VanDerWaalsContact C-N 3.35Å; H224-M226 PolarHBondContact O-N 2.85Å; M226-M229 HydrophobicContact CE-CG 4.13Å; M226-M229 WeakPolarHBondContact O-CB 3.46Å; M226-M229 PolarHBondContact O-N 3.01Å; M226-R230 WeakPolarHBondContact O-CB 3.47Å; M226-R230 PolarHBondContact O-N 3.21Å
227	A	88.7	Confident	88.1	Confident	15 Å²	15	49.6 Å²	49.6	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-44.9	174.1	0	0	0	0	0	111.8	L223 H224 Q225 M229 R230 Q231	L223-A227 PolarHBondContact O-N 2.68Å; H224-A227 WeakPolarHBondContact O-CB 3.49Å; H224-A227 PolarHBondContact O-N 3.17Å; H224-A227 VanDerWaalsContact O-N 3.14Å; Q225-A227 VanDerWaalsContact C-N 3.26Å; Q225-A227 PolarHBondContact O-N 2.9Å; A227-M229 VanDerWaalsContact C-N 3.32Å; A227-M229 PolarHBondContact O-N 3.08Å; A227-R230 WeakPolarHBondContact O-CB 3.48Å; A227-R230 PolarHBondContact O-N 2.94Å; A227-R230 VanDerWaalsContact O-N 3.1Å; A227-Q231 WeakPolarHBondContact O-CG 3.44Å; A227-Q231 PolarHBondContact O-N 2.88Å
228	K	90.3	Very high	88.6	Confident	33 Å²	33	48 Å²	48	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-42.8	171.3	-73.5	178.6	165.9	-174.5	0	111.6	E201 L202 D205 H224 Q225 R230 Q231 Y232	E201-K228 WeakPolarHBondContact O-CD 3.16Å; L202-K228 HydrophobicContact CD2-CB 4.32Å; D205-K228 IonicContact OD1-NZ 3.99Å; D205-K228 IonicContact OD2-NZ 3.34Å; D205-K228 PolarHBondContact OD2-NZ 3.49Å; H224-K228 VanDerWaalsContact NE2-CE 3.35Å; H224-K228 WeakPolarHBondContact NE2-CE 3.22Å; H224-K228 PolarHBondContact O-N 2.99Å; Q225-K228 WeakPolarHBondContact O-CB 3.41Å; Q225-K228 PolarHBondContact O-N 3.28Å; K228-R230 PolarHBondContact O-N 2.94Å; K228-Q231 WeakPolarHBondContact O-CB 3.41Å; K228-Q231 PolarHBondContact O-N 3.33Å; K228-Y232 PolarHBondContact O-N 2.99Å
229	M	90.4	Very high	89.2	Confident	19 Å²	19	46.6 Å²	46.6	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-46.5	172.8	-61.8	-49.6	-47.7	0	0	111.6	L202 Q225 M226 A227 Y232 E233 V315 L317	L202-M229 HydrophobicContact CD1-CE 3.49Å; L202-M229 VanDerWaalsContact CD1-CE 3.49Å; L202-M229 HydrophobicContact CD1-SD 3.79Å; L202-M229 HydrophobicContact CD2-CE 3.85Å; L202-M229 HydrophobicContact CD2-CG 4.38Å; L202-M229 HydrophobicContact CD2-SD 3.26Å; L202-M229 WeakPolarHBondContact CD2-SD 3.44Å; L202-M229 HydrophobicContact CG-CE 4.32Å; L202-M229 HydrophobicContact CG-SD 4.11Å; Q225-M229 WeakPolarHBondContact O-CG 3.26Å; Q225-M229 PolarHBondContact O-N 2.82Å; M226-M229 HydrophobicContact CE-CG 4.13Å; M226-M229 WeakPolarHBondContact O-CB 3.46Å; M226-M229 PolarHBondContact O-N 3.01Å; A227-M229 VanDerWaalsContact C-N 3.32Å; A227-M229 PolarHBondContact O-N 3.08Å; M229-Y232 PolarHBondContact O-N 3.27Å; M229-E233 WeakPolarHBondContact O-CG 3.4Å; M229-E233 PolarHBondContact O-N 3.36Å; M229-V315 HydrophobicContact CB-CB 4.35Å; M229-V315 HydrophobicContact CB-CG1 4.25Å; M229-L317 HydrophobicContact CE-CB 3.44Å; M229-L317 VanDerWaalsContact CE-CB 3.44Å; M229-L317 HydrophobicContact CE-CD1 3.4Å; M229-L317 HydrophobicContact CE-CD2 3.83Å; M229-L317 HydrophobicContact CE-CG 3.67Å
230	R	91.2	Very high	89.7	Confident	48 Å²	48	47 Å²	47	18%	0.181	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-44.9	179.6	-170	174.6	-76.7	130.4	4.7	111.6	W130 M226 A227 K228 Y232 E233 I234 A309 Q312 T313 V315	W130-R230 HydrophobicContact CD2-CG 4.28Å; W130-R230 HydrophobicContact CG-CG 4.46Å; M226-R230 WeakPolarHBondContact O-CB 3.47Å; M226-R230 PolarHBondContact O-N 3.21Å; A227-R230 WeakPolarHBondContact O-CB 3.48Å; A227-R230 PolarHBondContact O-N 2.94Å; A227-R230 VanDerWaalsContact O-N 3.1Å; K228-R230 PolarHBondContact O-N 2.94Å; R230-Y232 VanDerWaalsContact C-N 3.34Å; R230-Y232 PolarHBondContact O-N 2.93Å; R230-E233 PolarHBondContact O-N 3.22Å; R230-I234 HydrophobicContact CG-CD1 3.74Å; R230-I234 HydrophobicContact CG-CG1 4.48Å; R230-I234 WeakPolarHBondContact O-CB 3.36Å; R230-I234 WeakPolarHBondContact O-CG1 3.23Å; R230-I234 PolarHBondContact O-N 2.92Å; R230-A309 WeakPolarHBondContact CD-O 3.41Å; R230-A309 WeakPolarHBondContact CG-O 3.49Å; R230-A309 PolarHBondContact NE-O 2.96Å; R230-Q312 PolarHBondContact NH2-O 2.89Å; R230-T313 PolarHBondContact NH2-O 3.44Å; R230-V315 HydrophobicContact CB-CG2 3.83Å; R230-V315 HydrophobicContact CG-CG2 4.11Å
231	Q	90.6	Very high	90.3	Very high	71 Å²	71	44.8 Å²	44.8	33%	0.332	20%	0.198	S	C	.	.	H	α-helix	trans	-56.3	-47.5	176.6	-81.8	171.1	0.7	0	0	112.1	W130 A227 K228 S235	W130-Q231 HydrophobicContact CH2-CB 4.26Å; W130-Q231 HydrophobicContact CH2-CG 3.02Å; W130-Q231 HydrophobicContact CZ2-CG 3.82Å; W130-Q231 HydrophobicContact CZ3-CB 4.37Å; W130-Q231 HydrophobicContact CZ3-CG 3.53Å; A227-Q231 WeakPolarHBondContact O-CG 3.44Å; A227-Q231 PolarHBondContact O-N 2.88Å; K228-Q231 WeakPolarHBondContact O-CB 3.41Å; K228-Q231 PolarHBondContact O-N 3.33Å; Q231-S235 VanDerWaalsContact O-CB 3.31Å; Q231-S235 WeakPolarHBondContact O-CB 3.42Å; Q231-S235 PolarHBondContact O-N 3.41Å; Q231-S235 PolarHBondContact O-OG 3.14Å
232	Y	92.7	Very high	91	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-52.5	176.7	172.3	-102.3	0	0	0	111.4	E194 P199 L202 K228 M229 R230 I234 S235 R236 L317 W319	E194-Y232 WeakPolarHBondContact OE1-CE2 3.46Å; E194-Y232 PolarHBondContact OE2-OH 2.96Å; P199-Y232 HydrophobicContact CB-CD2 3.75Å; P199-Y232 HydrophobicContact CB-CE2 3.57Å; P199-Y232 HydrophobicContact CB-CG 4.38Å; P199-Y232 HydrophobicContact CG-CD2 4.4Å; P199-Y232 HydrophobicContact CG-CE1 4.42Å; P199-Y232 HydrophobicContact CG-CE2 3.8Å; L202-Y232 HydrophobicContact CD1-CD1 4.49Å; K228-Y232 PolarHBondContact O-N 2.99Å; M229-Y232 PolarHBondContact O-N 3.27Å; R230-Y232 VanDerWaalsContact C-N 3.34Å; R230-Y232 PolarHBondContact O-N 2.93Å; Y232-I234 VanDerWaalsContact C-N 3.32Å; Y232-I234 PolarHBondContact O-N 3.33Å; Y232-S235 WeakPolarHBondContact O-CB 3.31Å; Y232-S235 PolarHBondContact O-N 3.47Å; Y232-S235 VanDerWaalsContact O-N 3.15Å; Y232-R236 WeakPolarHBondContact O-CB 3.36Å; Y232-R236 PolarHBondContact O-N 3.46Å; Y232-L317 HydrophobicContact CD1-CD1 3.73Å; Y232-L317 HydrophobicContact CE1-CD1 3.67Å; Y232-W319 HydrophobicContact CE1-CB 3.96Å
233	E	92.6	Very high	91.5	Very high	19 Å²	19	39.9 Å²	39.9	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-39.5	-178.3	-69.3	-62	141	0	0	112.4	M229 R230 R236 L237 A309 V315 L317 S318	M229-E233 WeakPolarHBondContact O-CG 3.4Å; M229-E233 PolarHBondContact O-N 3.36Å; R230-E233 PolarHBondContact O-N 3.22Å; E233-R236 WeakPolarHBondContact O-CB 3.49Å; E233-R236 PolarHBondContact O-N 3.33Å; E233-L237 WeakPolarHBondContact O-CG 3.45Å; E233-L237 PolarHBondContact O-N 3.16Å; E233-A309 HydrophobicContact CB-CB 3.58Å; E233-A309 HydrophobicContact CG-CB 4.38Å; E233-V315 HydrophobicContact CB-CG1 4.42Å; E233-V315 HydrophobicContact CG-CG1 3.81Å; E233-L317 WeakPolarHBondContact OE1-CA 3.38Å; E233-L317 WeakPolarHBondContact OE1-CD1 3.48Å; E233-S318 PolarHBondContact OE1-N 3.04Å; E233-S318 PolarHBondContact OE1-OG 3.36Å; E233-S318 WeakPolarHBondContact OE2-CB 3.34Å; E233-S318 PolarHBondContact OE2-OG 2.84Å
234	I	91.9	Very high	92	Very high	17 Å²	17	36 Å²	36	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-40.2	176.3	-73.4	171.2	0	0	0	111.3	W130 L133 R230 Y232 R236 L237 A309	W130-I234 HydrophobicContact CB-CD1 3.7Å; W130-I234 HydrophobicContact CD2-CD1 3.89Å; W130-I234 HydrophobicContact CE3-CD1 3.33Å; W130-I234 HydrophobicContact CG-CD1 4.08Å; W130-I234 HydrophobicContact CZ3-CD1 4.31Å; L133-I234 HydrophobicContact CD2-CG2 3.5Å; L133-I234 VanDerWaalsContact CD2-CG2 3.5Å; R230-I234 HydrophobicContact CG-CD1 3.74Å; R230-I234 HydrophobicContact CG-CG1 4.48Å; R230-I234 WeakPolarHBondContact O-CB 3.36Å; R230-I234 WeakPolarHBondContact O-CG1 3.23Å; R230-I234 PolarHBondContact O-N 2.92Å; Y232-I234 VanDerWaalsContact C-N 3.32Å; Y232-I234 PolarHBondContact O-N 3.33Å; I234-R236 VanDerWaalsContact C-N 3.25Å; I234-R236 PolarHBondContact O-N 3.36Å; I234-L237 WeakPolarHBondContact O-CB 3.35Å; I234-L237 PolarHBondContact O-N 3.16Å; I234-A309 HydrophobicContact CG1-CB 4.27Å
235	S	91.8	Very high	92.5	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-35.7	174.5	-61.7	0	0	0	0	111.6	Q231 Y232 L237 R238 Y239	Q231-S235 VanDerWaalsContact O-CB 3.31Å; Q231-S235 WeakPolarHBondContact O-CB 3.42Å; Q231-S235 PolarHBondContact O-N 3.41Å; Q231-S235 PolarHBondContact O-OG 3.14Å; Y232-S235 WeakPolarHBondContact O-CB 3.31Å; Y232-S235 PolarHBondContact O-N 3.47Å; Y232-S235 VanDerWaalsContact O-N 3.15Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.37Å; S235-R238 WeakPolarHBondContact O-CB 3.47Å; S235-R238 PolarHBondContact O-N 2.87Å; S235-Y239 WeakPolarHBondContact O-CD1 3.46Å; S235-Y239 WeakPolarHBondContact O-CE1 3.41Å
236	R	92.4	Very high	92.9	Very high	65 Å²	65	29.7 Å²	29.7	25%	0.245	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-31.4	176.8	-171.1	177.6	177.8	170.4	5.9	113.3	Y232 E233 I234 R238 Y239 S318 W319	Y232-R236 WeakPolarHBondContact O-CB 3.36Å; Y232-R236 PolarHBondContact O-N 3.46Å; E233-R236 WeakPolarHBondContact O-CB 3.49Å; E233-R236 PolarHBondContact O-N 3.33Å; I234-R236 VanDerWaalsContact C-N 3.25Å; I234-R236 PolarHBondContact O-N 3.36Å; R236-R238 PolarHBondContact O-N 2.97Å; R236-R238 VanDerWaalsContact O-N 3.08Å; R236-Y239 HydrophobicContact CB-CE1 4.48Å; R236-Y239 HydrophobicContact CB-CE2 4.49Å; R236-Y239 HydrophobicContact CG-CD2 3.97Å; R236-Y239 HydrophobicContact CG-CE2 4.01Å; R236-Y239 HydrophobicContact CG-CG 4.31Å; R236-Y239 WeakPolarHBondContact O-CB 3.43Å; R236-Y239 PolarHBondContact O-N 3.27Å; R236-S318 PolarHBondContact NH1-O 3.2Å; R236-S318 PolarHBondContact NH1-OG 3.36Å; R236-W319 VanDerWaalsContact NH1-CA 3.32Å; R236-W319 VanDerWaalsContact NH1-N 3.2Å
237	L	92.8	Very high	93.2	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.3	174.3	-55.7	179.9	0	0	0	112.8	L133 D153 W154 E233 I234 S235 M269 V310	L133-L237 HydrophobicContact CD1-CD1 3.88Å; D153-L237 HydrophobicContact CB-CD2 4.4Å; W154-L237 PolarHBondContact NE1-O 3.17Å; E233-L237 WeakPolarHBondContact O-CG 3.45Å; E233-L237 PolarHBondContact O-N 3.16Å; I234-L237 WeakPolarHBondContact O-CB 3.35Å; I234-L237 PolarHBondContact O-N 3.16Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.37Å; L237-M269 HydrophobicContact CD1-CE 3.59Å; L237-M269 HydrophobicContact CD2-CE 3.76Å; L237-M269 HydrophobicContact CG-CE 4.25Å; L237-V310 HydrophobicContact CD1-CG2 4.44Å
238	R	92.8	Very high	93.5	Very high	139 Å²	139	31.7 Å²	31.7	53%	0.525	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.4	179.3	-56.8	171	62.5	-178.5	0.8	113.4	S184 F186 S235 R236 Y240	S184-R238 WeakPolarHBondContact CB-O 3.42Å; S184-R238 PolarHBondContact OG-O 3.42Å; F186-R238 HydrophobicContact CD1-CB 4.09Å; F186-R238 HydrophobicContact CE1-CB 4.28Å; S235-R238 WeakPolarHBondContact O-CB 3.47Å; S235-R238 PolarHBondContact O-N 2.87Å; R236-R238 PolarHBondContact O-N 2.97Å; R236-R238 VanDerWaalsContact O-N 3.08Å; R238-Y240 VanDerWaalsContact C-N 3.28Å; R238-Y240 PolarHBondContact O-N 3.5Å
239	Y	94.4	Very high	93.7	Very high	6 Å²	6	31.1 Å²	31.1	2%	0.024	15%	0.145	C	C	.	.	S	Bend	trans	-71	-28.2	-174.2	-76.1	15.7	0	0	0	112.6	S184 F186 R190 M191 E194 S235 R236	S184-Y239 PolarHBondContact N-O 3.32Å; S184-Y239 PolarHBondContact OG-O 3.13Å; F186-Y239 HydrophobicContact CD1-CD1 4.2Å; F186-Y239 HydrophobicContact CD1-CE1 4.32Å; F186-Y239 HydrophobicContact CE1-CD1 4.1Å; F186-Y239 AromaticContact CE1-CE1 3.83Å; F186-Y239 HydrophobicContact CE1-CE1 3.83Å; R190-Y239 HydrophobicContact CB-CE1 3.77Å; R190-Y239 HydrophobicContact CB-CE2 4.19Å; R190-Y239 WeakPolarHBondContact CB-OH 3.46Å; R190-Y239 HydrophobicContact CG-CE1 3.97Å; M191-Y239 HydrophobicContact CG-CD2 4.03Å; M191-Y239 HydrophobicContact CG-CE2 4.28Å; E194-Y239 PolarHBondContact OE1-OH 3.47Å; S235-Y239 WeakPolarHBondContact O-CD1 3.46Å; S235-Y239 WeakPolarHBondContact O-CE1 3.41Å; R236-Y239 HydrophobicContact CB-CE1 4.48Å; R236-Y239 HydrophobicContact CB-CE2 4.49Å; R236-Y239 HydrophobicContact CG-CD2 3.97Å; R236-Y239 HydrophobicContact CG-CE2 4.01Å; R236-Y239 HydrophobicContact CG-CG 4.31Å; R236-Y239 WeakPolarHBondContact O-CB 3.43Å; R236-Y239 PolarHBondContact O-N 3.27Å
240	Y	95.8	Very high	93.9	Very high	47 Å²	47	35.7 Å²	35.7	18%	0.184	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	167.2	175.1	-54.9	-95	0	0	0	109.9	W154 I181 Y182 P183 M191 R238 K288	W154-Y240 HydrophobicContact CB-CD2 3.74Å; W154-Y240 HydrophobicContact CB-CG 4.23Å; W154-Y240 AromaticContact CD1-CD2 3.89Å; W154-Y240 VanDerWaalsContact CE2-O 3.25Å; W154-Y240 AromaticContact CG-CD2 3.87Å; W154-Y240 HydrophobicContact CG-CD2 3.87Å; W154-Y240 HydrophobicContact CG-CG 4.1Å; W154-Y240 WeakPolarHBondContact CZ2-O 3.08Å; W154-Y240 PolarHBondContact NE1-O 3.11Å; I181-Y240 HydrophobicContact CG2-CD1 4.26Å; I181-Y240 HydrophobicContact CG2-CG 4.37Å; Y182-Y240 CarbonylContact O-C 3.58Å; Y182-Y240 WeakPolarHBondContact O-CA 3.5Å; Y182-Y240 WeakPolarHBondContact O-CB 3.46Å; P183-Y240 VanDerWaalsContact CA-CD1 3.48Å; P183-Y240 HydrophobicContact CB-CD1 3.89Å; P183-Y240 HydrophobicContact CB-CE1 3.81Å; M191-Y240 PolarHBondContact SD-OH 3.04Å; M191-Y240 VanDerWaalsContact SD-OH 3.38Å; R238-Y240 VanDerWaalsContact C-N 3.28Å; R238-Y240 PolarHBondContact O-N 3.5Å; Y240-K288 HydrophobicContact CD1-CD 4.1Å; Y240-K288 HydrophobicContact CE1-CB 4.4Å; Y240-K288 HydrophobicContact CE1-CD 3.66Å
241	Y	95.7	Very high	94.1	Very high	55 Å²	55	33.6 Å²	33.6	22%	0.216	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.8	169.4	61.9	-80.8	0	0	0	107.8	L149 W154 Y182 V243 F282	L149-Y241 WeakPolarHBondContact O-CA 3.49Å; W154-Y241 VanDerWaalsContact CZ2-CA 3.5Å; Y182-Y241 VanDerWaalsContact CB-CZ 3.48Å; Y182-Y241 HydrophobicContact CD2-CE2 4.12Å; Y182-Y241 HydrophobicContact CG-CE2 4.37Å; Y182-Y241 PolarHBondContact N-O 3.21Å; Y182-Y241 WeakPolarHBondContact O-CD1 3.5Å; Y182-Y241 PolarHBondContact O-N 2.85Å; Y241-V243 HydrophobicContact CD2-CG2 3.96Å; Y241-V243 HydrophobicContact CE2-CG2 3.71Å; Y241-F282 HydrophobicContact CE2-CD1 4.4Å; Y241-F282 AromaticContact CE2-CE1 3.88Å; Y241-F282 HydrophobicContact CE2-CE1 3.88Å
242	A	96.5	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.8	172.9	0	0	0	0	0	110.4	A148 L149 W154 L162 V179 R180 I181	A148-A242 CarbonylContact C-O 3.54Å; A148-A242 VanDerWaalsContact CA-O 3.25Å; A148-A242 WeakPolarHBondContact CA-O 3.39Å; L149-A242 HydrophobicContact CB-CB 4.14Å; L149-A242 PolarHBondContact N-O 2.77Å; L149-A242 PolarHBondContact O-N 3.11Å; W154-A242 HydrophobicContact CH2-CB 3.81Å; W154-A242 VanDerWaalsContact CH2-N 3.3Å; W154-A242 HydrophobicContact CZ3-CB 3.84Å; L162-A242 HydrophobicContact CD1-CB 3.8Å; V179-A242 HydrophobicContact CG1-CB 4.25Å; R180-A242 CarbonylContact O-C 3.47Å; R180-A242 VanDerWaalsContact O-CA 3.25Å; R180-A242 WeakPolarHBondContact O-CA 3.35Å; I181-A242 HydrophobicContact CG1-CB 4.08Å
243	V	96.3	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.7	171.9	177.2	0	0	0	0	107.5	L147 V179 R180 Y182 Y241 I276 F282	L147-V243 CarbonylContact O-C 3.55Å; L147-V243 WeakPolarHBondContact O-CA 3.43Å; V179-V243 WeakPolarHBondContact CA-O 3.36Å; R180-V243 PolarHBondContact N-O 3.21Å; R180-V243 PolarHBondContact O-N 2.97Å; Y182-V243 HydrophobicContact CD2-CB 4.26Å; Y182-V243 HydrophobicContact CD2-CG2 3.75Å; Y182-V243 HydrophobicContact CE2-CB 4.03Å; Y182-V243 HydrophobicContact CE2-CG2 3.89Å; Y241-V243 HydrophobicContact CD2-CG2 3.96Å; Y241-V243 HydrophobicContact CE2-CG2 3.71Å; V243-I276 HydrophobicContact CB-CD1 4.36Å; V243-I276 HydrophobicContact CG1-CD1 3.87Å; V243-I276 HydrophobicContact CG2-CD1 3.89Å; V243-F282 HydrophobicContact CG1-CD2 4.49Å; V243-F282 HydrophobicContact CG1-CE2 4.24Å; V243-F282 HydrophobicContact CG2-CD1 4.38Å; V243-F282 HydrophobicContact CG2-CE1 4.05Å; V243-F282 HydrophobicContact CG2-CE2 4.19Å; V243-F282 HydrophobicContact CG2-CZ 3.96Å
244	I	96	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115	179.1	-55.1	149.6	0	0	0	106.4	R146 L147 L149 F166 V176 V179 L273	R146-I244 WeakPolarHBondContact CA-O 3.46Å; L147-I244 HydrophobicContact CB-CB 4.25Å; L147-I244 HydrophobicContact CB-CD1 4.05Å; L147-I244 PolarHBondContact N-O 2.97Å; L147-I244 PolarHBondContact O-N 2.94Å; L149-I244 HydrophobicContact CB-CD1 4.39Å; F166-I244 HydrophobicContact CD1-CD1 4.37Å; F166-I244 HydrophobicContact CD2-CD1 3.6Å; F166-I244 HydrophobicContact CD2-CG1 3.8Å; F166-I244 HydrophobicContact CD2-CG2 4.33Å; F166-I244 HydrophobicContact CE1-CD1 4.01Å; F166-I244 HydrophobicContact CE2-CD1 3.18Å; F166-I244 HydrophobicContact CE2-CG1 3.69Å; F166-I244 HydrophobicContact CG-CD1 4.2Å; F166-I244 HydrophobicContact CZ-CD1 3.41Å; F166-I244 VanDerWaalsContact CZ-CD1 3.41Å; F166-I244 HydrophobicContact CZ-CG1 4.41Å; V176-I244 HydrophobicContact CG1-CG2 3.95Å; V179-I244 HydrophobicContact CG1-CG1 4.32Å; V179-I244 HydrophobicContact CG2-CG1 4.19Å; V179-I244 HydrophobicContact CG2-CG2 4.23Å; I244-L273 HydrophobicContact CD1-CD2 3.73Å
245	D	95.3	Very high	94.7	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.9	177.1	-74.3	-37.2	0	0	0	109.4	R146 H177 S178 R180	R146-D245 WeakPolarHBondContact CD-OD1 3.37Å; R146-D245 WeakPolarHBondContact CG-OD1 3.42Å; R146-D245 IonicContact CZ-OD1 3.89Å; R146-D245 IonicContact NE-OD1 2.75Å; R146-D245 PolarHBondContact NE-OD1 3.46Å; H177-D245 HydrophobicContact CB-CB 4.28Å; H177-D245 WeakPolarHBondContact CB-O 3.49Å; H177-D245 PolarHBondContact N-O 2.89Å; S178-D245 PolarHBondContact O-N 3.48Å; R180-D245 IonicContact CZ-OD2 3.62Å; R180-D245 IonicContact NE-OD2 2.81Å; R180-D245 IonicContact NH2-OD2 3.83Å; R180-D245 PolarHBondContact NH2-OD2 3.38Å
246	C	95.3	Very high	94.9	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	162.8	173.6	-55.9	0	0	0	0	111.8	R145 T251 A252	R145-C246 VanDerWaalsContact O-CB 3.3Å; R145-C246 WeakPolarHBondContact O-CB 3.4Å; R145-C246 PolarHBondContact O-N 3.17Å; R145-C246 VanDerWaalsContact O-N 3.11Å; C246-T251 HydrophobicContact CB-CG2 4.18Å; C246-A252 HydrophobicContact CB-CB 4.33Å
247	D	94.3	Very high	95	Very high	48 Å²	48	36.3 Å²	36.3	26%	0.257	18%	0.182	S	C	.	.	S	Bend	trans	-67.4	-46	176.3	60.9	-17.8	0	0	0	113.5	G174 V175 T251	G174-D247 WeakPolarHBondContact CA-OD2 3.34Å; V175-D247 HydrophobicContact CB-CB 4.34Å; V175-D247 VanDerWaalsContact N-CG 3.26Å; V175-D247 PolarHBondContact N-OD1 2.87Å; V175-D247 PolarHBondContact N-OD2 3.46Å; V175-D247 PolarHBondContact O-N 3.44Å; D247-T251 WeakPolarHBondContact OD1-CB 3.34Å; D247-T251 WeakPolarHBondContact OD1-CG2 3.43Å; D247-T251 PolarHBondContact OD1-OG1 3.28Å
248	S	94.4	Very high	95	Very high	40 Å²	40	39.7 Å²	39.7	28%	0.28	20%	0.2	S	C	.	.			trans	-130	154.8	-174.6	-172.3	0	0	0	0	111.8	D250 T251 A252	S248-D250 PolarHBondContact O-N 3.43Å; S248-D250 PolarHBondContact OG-N 2.84Å; S248-T251 WeakPolarHBondContact O-CB 3.42Å; S248-T251 PolarHBondContact O-N 3.03Å; S248-A252 PolarHBondContact O-N 2.92Å
249	A	94.9	Very high	95.1	Very high	22 Å²	22	33.1 Å²	33.1	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-33.5	172.6	0	0	0	0	0	111.3	T251 A252 E253	A249-T251 VanDerWaalsContact C-N 3.31Å; A249-T251 PolarHBondContact O-N 3.2Å; A249-A252 PolarHBondContact O-N 3.1Å; A249-E253 WeakPolarHBondContact O-CB 3.49Å; A249-E253 PolarHBondContact O-N 3.42Å
250	D	94.8	Very high	95	Very high	114 Å²	114	35 Å²	35	61%	0.61	19%	0.185	S	C	*	.	H	α-helix	trans	-64.5	-37.1	177.2	-52.4	-24.2	0	0	0	111.7	S248 A254	S248-D250 PolarHBondContact O-N 3.43Å; S248-D250 PolarHBondContact OG-N 2.84Å; D250-A254 WeakPolarHBondContact O-CB 3.31Å; D250-A254 PolarHBondContact O-N 3.31Å
251	T	95.3	Very high	94.7	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-46.3	176	-56.3	0	0	0	0	110.4	K170 P171 G174 C246 D247 S248 A249 A254 I255	K170-T251 HydrophobicContact CB-CG2 4.37Å; P171-T251 HydrophobicContact CG-CG2 4.32Å; G174-T251 WeakPolarHBondContact CA-OG1 3.43Å; C246-T251 HydrophobicContact CB-CG2 4.18Å; D247-T251 WeakPolarHBondContact OD1-CB 3.34Å; D247-T251 WeakPolarHBondContact OD1-CG2 3.43Å; D247-T251 PolarHBondContact OD1-OG1 3.28Å; S248-T251 WeakPolarHBondContact O-CB 3.42Å; S248-T251 PolarHBondContact O-N 3.03Å; A249-T251 VanDerWaalsContact C-N 3.31Å; A249-T251 PolarHBondContact O-N 3.2Å; T251-A254 PolarHBondContact O-N 3.22Å; T251-I255 HydrophobicContact CG2-CD1 4.15Å; T251-I255 WeakPolarHBondContact O-CG1 3.47Å; T251-I255 PolarHBondContact O-N 3.36Å
252	A	95.7	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.5	0	0	0	0	0	111.6	T144 L147 C246 S248 A249 I255 Y256 F275	T144-A252 WeakPolarHBondContact O-CB 3.43Å; L147-A252 HydrophobicContact CD1-CB 4.14Å; L147-A252 WeakPolarHBondContact CD1-O 3.42Å; L147-A252 HydrophobicContact CD2-CB 4.43Å; L147-A252 HydrophobicContact CG-CB 4.04Å; C246-A252 HydrophobicContact CB-CB 4.33Å; S248-A252 PolarHBondContact O-N 2.92Å; A249-A252 PolarHBondContact O-N 3.1Å; A252-I255 PolarHBondContact O-N 3.32Å; A252-Y256 VanDerWaalsContact O-CB 3.32Å; A252-Y256 WeakPolarHBondContact O-CB 3.36Å; A252-Y256 PolarHBondContact O-N 3.29Å; A252-F275 HydrophobicContact CB-CE1 4.25Å
253	E	94.6	Very high	94.4	Very high	84 Å²	84	41 Å²	41	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-42.6	176.4	-176.2	177.9	-163.1	0	0	112.1	A249 I255 Y256 N257	A249-E253 WeakPolarHBondContact O-CB 3.49Å; A249-E253 PolarHBondContact O-N 3.42Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 3.31Å; E253-Y256 PolarHBondContact O-N 3.4Å; E253-N257 WeakPolarHBondContact O-CB 3.36Å; E253-N257 VanDerWaalsContact O-CG 3.29Å; E253-N257 PolarHBondContact O-N 3.18Å; E253-N257 PolarHBondContact O-ND2 2.88Å
254	A	95.1	Very high	94.1	Very high	27 Å²	27	41.1 Å²	41.1	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-41.6	175	0	0	0	0	0	112.1	P171 D250 T251 N258	P171-A254 HydrophobicContact CG-CB 4.15Å; D250-A254 WeakPolarHBondContact O-CB 3.31Å; D250-A254 PolarHBondContact O-N 3.31Å; T251-A254 PolarHBondContact O-N 3.22Å; A254-N258 WeakPolarHBondContact O-CB 3.42Å; A254-N258 VanDerWaalsContact O-CG 3.24Å; A254-N258 PolarHBondContact O-N 3.14Å; A254-N258 PolarHBondContact O-ND2 3.1Å; A254-N258 VanDerWaalsContact O-ND2 3.09Å
255	I	95.6	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-45.7	175.4	-69.7	166.2	0	0	0	110.4	L147 F166 K170 V176 T251 A252 E253 N258 C259 L273	L147-I255 HydrophobicContact CD1-CB 4.19Å; L147-I255 HydrophobicContact CD1-CG2 3.93Å; F166-I255 HydrophobicContact CB-CD1 4.45Å; F166-I255 HydrophobicContact CD1-CG2 3.48Å; F166-I255 VanDerWaalsContact CD1-CG2 3.48Å; F166-I255 HydrophobicContact CE1-CG2 4.04Å; F166-I255 HydrophobicContact CG-CG2 4.32Å; K170-I255 HydrophobicContact CB-CD1 4.33Å; V176-I255 HydrophobicContact CG2-CD1 3.97Å; T251-I255 HydrophobicContact CG2-CD1 4.15Å; T251-I255 WeakPolarHBondContact O-CG1 3.47Å; T251-I255 PolarHBondContact O-N 3.36Å; A252-I255 PolarHBondContact O-N 3.32Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-I255 PolarHBondContact O-N 3.31Å; I255-N258 PolarHBondContact O-N 3.03Å; I255-C259 WeakPolarHBondContact O-CB 3.34Å; I255-C259 PolarHBondContact O-N 3.25Å; I255-L273 HydrophobicContact CG2-CD1 4.21Å
256	Y	94.9	Very high	93.4	Very high	37 Å²	37	47.2 Å²	47.2	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-53.4	178	179.1	-102.5	0	0	0	111.2	A252 E253 N258 C259 D260 L273 F275	A252-Y256 VanDerWaalsContact O-CB 3.32Å; A252-Y256 WeakPolarHBondContact O-CB 3.36Å; A252-Y256 PolarHBondContact O-N 3.29Å; E253-Y256 PolarHBondContact O-N 3.4Å; Y256-N258 VanDerWaalsContact C-N 3.28Å; Y256-N258 PolarHBondContact O-N 3.39Å; Y256-C259 PolarHBondContact O-N 3.09Å; Y256-D260 HydrophobicContact CD2-CB 4.03Å; Y256-D260 HydrophobicContact CE2-CB 3.8Å; Y256-D260 WeakPolarHBondContact CE2-OD2 3.26Å; Y256-D260 VanDerWaalsContact CZ-OD2 3.28Å; Y256-D260 WeakPolarHBondContact O-CB 3.45Å; Y256-D260 PolarHBondContact O-N 3.03Å; Y256-D260 PolarHBondContact OH-OD2 2.87Å; Y256-L273 HydrophobicContact CD2-CB 3.69Å; Y256-L273 HydrophobicContact CE2-CB 4.09Å; Y256-L273 VanDerWaalsContact CE2-O 3.27Å; Y256-L273 WeakPolarHBondContact CE2-O 3.4Å; Y256-F275 AromaticContact CD1-CE2 3.74Å; Y256-F275 HydrophobicContact CD1-CE2 3.74Å; Y256-F275 HydrophobicContact CD1-CZ 4.06Å; Y256-F275 HydrophobicContact CD2-CE2 4.05Å; Y256-F275 HydrophobicContact CD2-CZ 4.43Å; Y256-F275 HydrophobicContact CE1-CE2 4.13Å; Y256-F275 HydrophobicContact CE2-CE2 4.47Å; Y256-F275 AromaticContact CG-CE2 3.7Å; Y256-F275 HydrophobicContact CG-CE2 3.7Å; Y256-F275 AromaticContact CG-CZ 3.82Å; Y256-F275 HydrophobicContact CG-CZ 3.82Å
257	N	94	Very high	93	Very high	106 Å²	106	46.9 Å²	46.9	57%	0.567	26%	0.263	S	S	*	.	H	α-helix	trans	-64.4	-30.1	-178	-69.6	-29.1	0	0	0	113.7	E253	E253-N257 WeakPolarHBondContact O-CB 3.36Å; E253-N257 VanDerWaalsContact O-CG 3.29Å; E253-N257 PolarHBondContact O-N 3.18Å; E253-N257 PolarHBondContact O-ND2 2.88Å
258	N	93.8	Very high	92.7	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-89.4	-28.8	-178.3	-71.5	-27.4	0	0	0	113.6	F169 A254 I255 Y256 N262	F169-N258 HydrophobicContact CD1-CB 4.19Å; A254-N258 WeakPolarHBondContact O-CB 3.42Å; A254-N258 VanDerWaalsContact O-CG 3.24Å; A254-N258 PolarHBondContact O-N 3.14Å; A254-N258 PolarHBondContact O-ND2 3.1Å; A254-N258 VanDerWaalsContact O-ND2 3.09Å; I255-N258 PolarHBondContact O-N 3.03Å; Y256-N258 VanDerWaalsContact C-N 3.28Å; Y256-N258 PolarHBondContact O-N 3.39Å; N258-N262 PolarHBondContact O-ND2 2.84Å
259	C	93.4	Very high	92.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-107.3	-31.3	-172	-65.1	0	0	0	0	113.4	F166 F169 I255 Y256 G261 N262 I271 L273	F166-C259 HydrophobicContact CE1-CB 4.34Å; F169-C259 WeakPolarHBondContact CD2-SG 3.44Å; F169-C259 VanDerWaalsContact CG-SG 3.52Å; I255-C259 WeakPolarHBondContact O-CB 3.34Å; I255-C259 PolarHBondContact O-N 3.25Å; Y256-C259 PolarHBondContact O-N 3.09Å; C259-G261 PolarHBondContact O-N 3.03Å; C259-N262 WeakPolarHBondContact O-CB 3.2Å; C259-N262 PolarHBondContact O-N 3.34Å; C259-N262 VanDerWaalsContact O-N 3.14Å; C259-I271 HydrophobicContact CB-CG2 4.32Å; C259-I271 WeakPolarHBondContact O-CB 3.02Å; C259-L273 HydrophobicContact CB-CD1 3.69Å
260	D	93.2	Very high	92.3	Very high	44 Å²	44	50.3 Å²	50.3	24%	0.235	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	130.3	-176.7	-166.2	45.7	0	0	0	111	Y256 N262 L273	Y256-D260 HydrophobicContact CD2-CB 4.03Å; Y256-D260 HydrophobicContact CE2-CB 3.8Å; Y256-D260 WeakPolarHBondContact CE2-OD2 3.26Å; Y256-D260 VanDerWaalsContact CZ-OD2 3.28Å; Y256-D260 WeakPolarHBondContact O-CB 3.45Å; Y256-D260 PolarHBondContact O-N 3.03Å; Y256-D260 PolarHBondContact OH-OD2 2.87Å; D260-N262 PolarHBondContact O-N 3.15Å; D260-L273 HydrophobicContact CB-CB 4.37Å; D260-L273 PolarHBondContact OD1-N 3.01Å
261	G	90.3	Very high	92.2	Very high	39 Å²	39	45.2 Å²	45.2	40%	0.402	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-8.6	-177	0	0	0	0	0	115.9	C259 I271	C259-G261 PolarHBondContact O-N 3.03Å; G261-I271 PolarHBondContact N-O 3.34Å
262	N	92.6	Very high	92.2	Very high	90 Å²	90	45.7 Å²	45.7	48%	0.481	25%	0.245	S	C	.	.			trans	-82.9	153.4	176.7	-75.6	-22.1	0	0	0	112	N258 C259 D260 K270 I271	N258-N262 PolarHBondContact O-ND2 2.84Å; C259-N262 WeakPolarHBondContact O-CB 3.2Å; C259-N262 PolarHBondContact O-N 3.34Å; C259-N262 VanDerWaalsContact O-N 3.14Å; D260-N262 PolarHBondContact O-N 3.15Å; N262-K270 CarbonylContact O-C 3.48Å; N262-K270 WeakPolarHBondContact O-CA 3.49Å; N262-I271 WeakPolarHBondContact O-CB 3.43Å; N262-I271 WeakPolarHBondContact O-CG1 3.4Å; N262-I271 PolarHBondContact O-N 3.49Å
263	E	91.7	Very high	92.1	Very high	100 Å²	100	45.8 Å²	45.8	47%	0.467	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-79	139.3	178.8	-65.1	-178.6	-173.8	0	0	111.9	Q265 M269	E263-Q265 PolarHBondContact O-N 3.41Å; E263-Q265 VanDerWaalsContact O-N 3.14Å; E263-M269 VanDerWaalsContact CA-O 3.26Å; E263-M269 WeakPolarHBondContact CA-O 3.42Å
264	Y	91.3	Very high	92.1	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	24%	0.242	C	C	.	.			trans	-73.8	103.5	169.9	179.5	-98.3	0	0	0	109.9	I157 L165 S266 S267 M269 F305	I157-Y264 HydrophobicContact CG1-CE1 4.42Å; L165-Y264 HydrophobicContact CD1-CD2 4.32Å; L165-Y264 HydrophobicContact CD1-CE2 4.36Å; L165-Y264 HydrophobicContact CD2-CD2 3.82Å; L165-Y264 HydrophobicContact CD2-CE2 4.08Å; Y264-S266 PolarHBondContact O-N 2.88Å; Y264-S267 WeakPolarHBondContact O-CB 3.41Å; Y264-S267 PolarHBondContact O-N 2.77Å; Y264-S267 PolarHBondContact O-OG 3.33Å; Y264-M269 PolarHBondContact N-O 3.49Å; Y264-F305 AromaticContact CD1-CE1 3.88Å; Y264-F305 HydrophobicContact CD1-CE1 3.88Å; Y264-F305 AromaticContact CD1-CZ 3.98Å; Y264-F305 HydrophobicContact CD1-CZ 3.98Å; Y264-F305 AromaticContact CE1-CE1 3.68Å; Y264-F305 HydrophobicContact CE1-CE1 3.68Å; Y264-F305 HydrophobicContact CE1-CZ 4.23Å
265	Q	87.8	Confident	92.1	Very high	84 Å²	84	46 Å²	46	39%	0.393	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-123	-178.5	-57.1	-176.4	12.7	0	0	112.1	E263	E263-Q265 PolarHBondContact O-N 3.41Å; E263-Q265 VanDerWaalsContact O-N 3.14Å
266	S	87.9	Confident	92	Very high	58 Å²	58	46.5 Å²	46.5	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	23.4	176.5	66.2	0	0	0	0	113	Y264 L268 Q306	Y264-S266 PolarHBondContact O-N 2.88Å; S266-L268 VanDerWaalsContact C-N 3.32Å; S266-Q306 WeakPolarHBondContact O-CG 3.23Å
267	S	87.4	Confident	91.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-77.2	-16.7	-176.1	68.6	0	0	0	0	114.8	Y264 M269 F305 T307	Y264-S267 WeakPolarHBondContact O-CB 3.41Å; Y264-S267 PolarHBondContact O-N 2.77Å; Y264-S267 PolarHBondContact O-OG 3.33Å; S267-M269 PolarHBondContact O-N 2.93Å; S267-M269 PolarHBondContact OG-N 2.94Å; S267-F305 WeakPolarHBondContact CA-O 3.23Å; S267-T307 PolarHBondContact O-N 3.09Å; S267-T307 VanDerWaalsContact O-N 3.15Å
268	L	88.2	Confident	91.6	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.335	25%	0.251	S	S	.	.			trans	60.4	19.2	-172.1	-51.9	170.6	0	0	0	112.8	S266	S266-L268 VanDerWaalsContact C-N 3.32Å
269	M	88.9	Confident	91.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-103.4	127.2	173	-64.7	-166.1	74.8	0	0	109.8	N151 M152 D153 L237 E263 Y264 S267 F305 T307	N151-M269 WeakPolarHBondContact O-CE 3.25Å; M152-M269 HydrophobicContact CE-CB 3.9Å; M152-M269 HydrophobicContact CE-CE 4.06Å; D153-M269 HydrophobicContact CB-SD 3.78Å; L237-M269 HydrophobicContact CD1-CE 3.59Å; L237-M269 HydrophobicContact CD2-CE 3.76Å; L237-M269 HydrophobicContact CG-CE 4.25Å; E263-M269 VanDerWaalsContact CA-O 3.26Å; E263-M269 WeakPolarHBondContact CA-O 3.42Å; Y264-M269 PolarHBondContact N-O 3.49Å; S267-M269 PolarHBondContact O-N 2.93Å; S267-M269 PolarHBondContact OG-N 2.94Å; M269-F305 HydrophobicContact SD-CE2 4.22Å; M269-T307 HydrophobicContact CE-CG2 4.43Å; M269-T307 HydrophobicContact CG-CG2 4.24Å; M269-T307 WeakPolarHBondContact CG-OG1 3.47Å; M269-T307 HydrophobicContact SD-CG2 3.96Å; M269-T307 PolarHBondContact SD-OG1 3.24Å
270	K	91.3	Very high	91.4	Very high	115 Å²	115	52.8 Å²	52.8	50%	0.5	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-81.2	130.1	175.3	-62.9	179.6	-176.7	173.4	0	110.3	M152 N262 D272	M152-K270 WeakPolarHBondContact CE-O 3.34Å; N262-K270 CarbonylContact O-C 3.48Å; N262-K270 WeakPolarHBondContact O-CA 3.49Å; K270-D272 PolarHBondContact O-N 3.32Å
271	I	93.9	Very high	91.3	Very high	6 Å²	6	57 Å²	57	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.8	123.4	174.7	-67.4	168.2	0	0	0	108.2	L149 L165 C259 G261 N262 L273	L149-I271 HydrophobicContact CD1-CB 4.49Å; L149-I271 HydrophobicContact CD1-CG2 3.67Å; L165-I271 HydrophobicContact CD2-CD1 3.86Å; C259-I271 HydrophobicContact CB-CG2 4.32Å; C259-I271 WeakPolarHBondContact O-CB 3.02Å; G261-I271 PolarHBondContact N-O 3.34Å; N262-I271 WeakPolarHBondContact O-CB 3.43Å; N262-I271 WeakPolarHBondContact O-CG1 3.4Å; N262-I271 PolarHBondContact O-N 3.49Å; I271-L273 HydrophobicContact CG2-CD1 4.09Å; I271-L273 HydrophobicContact CG2-CD2 4.34Å; I271-L273 HydrophobicContact CG2-CG 3.76Å
272	D	93.6	Very high	91.2	Very high	14 Å²	14	56.4 Å²	56.4	8%	0.075	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	99.7	177.4	172.4	0.8	0	0	0	108.5	L149 C150 N151 K270 R274	L149-D272 WeakPolarHBondContact CA-O 3.01Å; C150-D272 PolarHBondContact N-O 3.16Å; N151-D272 PolarHBondContact ND2-OD2 3.33Å; K270-D272 PolarHBondContact O-N 3.32Å; D272-R274 IonicContact OD1-CZ 3.85Å; D272-R274 IonicContact OD1-NE 3.53Å; D272-R274 PolarHBondContact OD1-NE 3.29Å; D272-R274 IonicContact OD1-NH2 3.06Å; D272-R274 IonicContact OD2-CZ 2.75Å; D272-R274 IonicContact OD2-NE 3.34Å; D272-R274 IonicContact OD2-NH2 3.46Å; D272-R274 PolarHBondContact OD2-NH2 2.92Å
273	L	94.6	Very high	91.1	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.9	179.4	-69.6	171.4	0	0	0	111	L147 A148 L149 F166 I244 I255 Y256 C259 D260 I271	L147-L273 HydrophobicContact CB-CD2 4.46Å; A148-L273 CarbonylContact O-C 3.47Å; A148-L273 VanDerWaalsContact O-CA 3.29Å; A148-L273 WeakPolarHBondContact O-CA 3.49Å; L149-L273 HydrophobicContact CB-CD2 4.07Å; L149-L273 HydrophobicContact CD1-CD2 3.86Å; L149-L273 HydrophobicContact CD1-CG 4.41Å; F166-L273 HydrophobicContact CE1-CD1 4.16Å; F166-L273 HydrophobicContact CE1-CD2 4.08Å; F166-L273 HydrophobicContact CZ-CD2 3.95Å; I244-L273 HydrophobicContact CD1-CD2 3.73Å; I255-L273 HydrophobicContact CG2-CD1 4.21Å; Y256-L273 HydrophobicContact CD2-CB 3.69Å; Y256-L273 HydrophobicContact CE2-CB 4.09Å; Y256-L273 VanDerWaalsContact CE2-O 3.27Å; Y256-L273 WeakPolarHBondContact CE2-O 3.4Å; C259-L273 HydrophobicContact CB-CD1 3.69Å; D260-L273 HydrophobicContact CB-CB 4.37Å; D260-L273 PolarHBondContact OD1-N 3.01Å; I271-L273 HydrophobicContact CG2-CD1 4.09Å; I271-L273 HydrophobicContact CG2-CD2 4.34Å; I271-L273 HydrophobicContact CG2-CG 3.76Å
274	R	93.6	Very high	90.8	Very high	84 Å²	84	58.4 Å²	58.4	32%	0.317	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.6	178.5	-55.1	-179.3	-170	178.2	1.2	111.1	L147 A148 D272	L147-R274 CarbonylContact C-O 3.58Å; L147-R274 WeakPolarHBondContact CA-O 3.5Å; A148-R274 HydrophobicContact CB-CB 4.4Å; A148-R274 PolarHBondContact N-O 3.09Å; A148-R274 PolarHBondContact O-N 3.11Å; D272-R274 IonicContact OD1-CZ 3.85Å; D272-R274 IonicContact OD1-NE 3.53Å; D272-R274 PolarHBondContact OD1-NE 3.29Å; D272-R274 IonicContact OD1-NH2 3.06Å; D272-R274 IonicContact OD2-CZ 2.75Å; D272-R274 IonicContact OD2-NE 3.34Å; D272-R274 IonicContact OD2-NH2 3.46Å; D272-R274 PolarHBondContact OD2-NH2 2.92Å
275	F	95.1	Very high	90.6	Very high	30 Å²	30	62.8 Å²	62.8	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.3	176.6	-70.6	-78	0	0	0	111.9	A140 T144 L147 A252 Y256	A140-F275 HydrophobicContact CB-CB 3.96Å; A140-F275 HydrophobicContact CB-CD2 4.1Å; A140-F275 HydrophobicContact CB-CG 4.5Å; T144-F275 VanDerWaalsContact N-CD1 3.26Å; L147-F275 HydrophobicContact CD2-CD1 3.42Å; L147-F275 VanDerWaalsContact CD2-CD1 3.42Å; L147-F275 HydrophobicContact CD2-CE1 3.51Å; L147-F275 HydrophobicContact CD2-CG 3.98Å; L147-F275 HydrophobicContact CD2-CZ 4.1Å; A252-F275 HydrophobicContact CB-CE1 4.25Å; Y256-F275 AromaticContact CD1-CE2 3.74Å; Y256-F275 HydrophobicContact CD1-CE2 3.74Å; Y256-F275 HydrophobicContact CD1-CZ 4.06Å; Y256-F275 HydrophobicContact CD2-CE2 4.05Å; Y256-F275 HydrophobicContact CD2-CZ 4.43Å; Y256-F275 HydrophobicContact CE1-CE2 4.13Å; Y256-F275 HydrophobicContact CE2-CE2 4.47Å; Y256-F275 AromaticContact CG-CE2 3.7Å; Y256-F275 HydrophobicContact CG-CE2 3.7Å; Y256-F275 AromaticContact CG-CZ 3.82Å; Y256-F275 HydrophobicContact CG-CZ 3.82Å
276	I	93.7	Very high	90.7	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.062	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.6	176.6	-54.5	172.5	0	0	0	109	T144 R146 A148 V243 D278 M280 F282	T144-I276 WeakPolarHBondContact CB-O 3.35Å; T144-I276 PolarHBondContact OG1-N 3.25Å; T144-I276 PolarHBondContact OG1-O 3.1Å; R146-I276 HydrophobicContact CB-CB 3.93Å; R146-I276 HydrophobicContact CB-CD1 4.35Å; R146-I276 PolarHBondContact O-N 3.03Å; A148-I276 HydrophobicContact CB-CD1 3.71Å; A148-I276 HydrophobicContact CB-CG1 3.74Å; V243-I276 HydrophobicContact CB-CD1 4.36Å; V243-I276 HydrophobicContact CG1-CD1 3.87Å; V243-I276 HydrophobicContact CG2-CD1 3.89Å; I276-D278 PolarHBondContact O-N 3.15Å; I276-M280 HydrophobicContact CG2-CB 4.02Å; I276-M280 HydrophobicContact CG2-SD 4.07Å; I276-F282 HydrophobicContact CD1-CE2 4.31Å; I276-F282 HydrophobicContact CD1-CZ 4.03Å; I276-F282 HydrophobicContact CG2-CE2 4.01Å; I276-F282 HydrophobicContact CG2-CZ 3.92Å
277	P	92.5	Very high	90.9	Very high	73 Å²	73	61.7 Å²	61.7	47%	0.474	34%	0.336	S	S	.	.			trans	-58.8	133.5	171.5	-24.1	34.4	0	0	0	112.6	S279 M280	P277-S279 PolarHBondContact O-N 2.93Å; P277-M280 WeakPolarHBondContact O-CB 3.46Å; P277-M280 PolarHBondContact O-N 3.34Å
278	D	89.6	Confident	91	Very high	85 Å²	85	67 Å²	67	46%	0.455	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.9	-179.7	-65.7	-6.2	0	0	0	113.3	I276 M280	I276-D278 PolarHBondContact O-N 3.15Å; D278-M280 VanDerWaalsContact C-N 3.27Å; D278-M280 PolarHBondContact O-N 2.81Å
279	S	90.8	Very high	91.2	Very high	107 Å²	107	66.8 Å²	66.8	75%	0.748	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.8	176.1	60.5	0	0	0	0	114.1	P277	P277-S279 PolarHBondContact O-N 2.93Å
280	M	91.5	Very high	91.4	Very high	94 Å²	94	70.2 Å²	70.2	46%	0.463	38%	0.379	S	S	.	.			trans	-76	126.3	-179	-167.8	166.4	-179.2	0	0	110	R146 I276 P277 D278 F282	R146-M280 PolarHBondContact NH1-O 3Å; I276-M280 HydrophobicContact CG2-CB 4.02Å; I276-M280 HydrophobicContact CG2-SD 4.07Å; P277-M280 WeakPolarHBondContact O-CB 3.46Å; P277-M280 PolarHBondContact O-N 3.34Å; D278-M280 VanDerWaalsContact C-N 3.27Å; D278-M280 PolarHBondContact O-N 2.81Å; M280-F282 HydrophobicContact CB-CE2 4.35Å; M280-F282 HydrophobicContact CB-CZ 4.44Å; M280-F282 HydrophobicContact CE-CE1 3.8Å; M280-F282 HydrophobicContact CE-CZ 4.01Å; M280-F282 HydrophobicContact CG-CE1 4.32Å; M280-F282 HydrophobicContact CG-CE2 4.12Å; M280-F282 HydrophobicContact CG-CZ 3.83Å; M280-F282 HydrophobicContact SD-CE1 4.17Å; M280-F282 HydrophobicContact SD-CZ 3.74Å
281	V	90.4	Very high	91.5	Very high	132 Å²	132	64.8 Å²	64.8	80%	0.8	36%	0.356	S	S	*	.			trans	-101.5	132.8	179.8	-176.8	0	0	0	0	108.6
282	F	89.5	Confident	91.3	Very high	27 Å²	27	69.9 Å²	69.9	12%	0.118	38%	0.38	C	S	.	.			trans	-110.9	137.2	174.4	-61.1	-81.8	0	0	0	109	Y182 Y241 V243 I276 M280 E284	Y182-F282 HydrophobicContact CE1-CB 4.35Å; Y182-F282 HydrophobicContact CE2-CB 4.18Å; Y182-F282 HydrophobicContact CE2-CD1 4.49Å; Y182-F282 HydrophobicContact CE2-CG 4.35Å; Y241-F282 HydrophobicContact CE2-CD1 4.4Å; Y241-F282 AromaticContact CE2-CE1 3.88Å; Y241-F282 HydrophobicContact CE2-CE1 3.88Å; V243-F282 HydrophobicContact CG1-CD2 4.49Å; V243-F282 HydrophobicContact CG1-CE2 4.24Å; V243-F282 HydrophobicContact CG2-CD1 4.38Å; V243-F282 HydrophobicContact CG2-CE1 4.05Å; V243-F282 HydrophobicContact CG2-CE2 4.19Å; V243-F282 HydrophobicContact CG2-CZ 3.96Å; I276-F282 HydrophobicContact CD1-CE2 4.31Å; I276-F282 HydrophobicContact CD1-CZ 4.03Å; I276-F282 HydrophobicContact CG2-CE2 4.01Å; I276-F282 HydrophobicContact CG2-CZ 3.92Å; M280-F282 HydrophobicContact CB-CE2 4.35Å; M280-F282 HydrophobicContact CB-CZ 4.44Å; M280-F282 HydrophobicContact CE-CE1 3.8Å; M280-F282 HydrophobicContact CE-CZ 4.01Å; M280-F282 HydrophobicContact CG-CE1 4.32Å; M280-F282 HydrophobicContact CG-CE2 4.12Å; M280-F282 HydrophobicContact CG-CZ 3.83Å; M280-F282 HydrophobicContact SD-CE1 4.17Å; M280-F282 HydrophobicContact SD-CZ 3.74Å; F282-E284 PolarHBondContact O-N 3.33Å
283	D	89.5	Confident	90.8	Very high	96 Å²	96	74.4 Å²	74.4	51%	0.513	40%	0.403	S	S	.	.			trans	-81	114.7	174.4	-171.1	-16.8	0	0	0	109.1	Y182 S285 L286	Y182-D283 VanDerWaalsContact CE1-O 3.29Å; Y182-D283 WeakPolarHBondContact CE1-O 3.33Å; D283-S285 PolarHBondContact O-N 3.47Å; D283-S285 WeakPolarHBondContact OD1-CB 3.44Å; D283-S285 PolarHBondContact OD1-N 3.04Å; D283-S285 PolarHBondContact OD1-OG 2.85Å; D283-S285 PolarHBondContact OD2-OG 3.4Å; D283-L286 HydrophobicContact CB-CD1 4.21Å; D283-L286 HydrophobicContact CB-CG 4.36Å; D283-L286 PolarHBondContact O-N 2.71Å
284	E	85.4	Confident	89.9	Confident	136 Å²	136	80.4 Å²	80.4	64%	0.636	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-62.8	-25.1	-177.5	-51.4	-166.9	149.8	0	0	112.4	R180 F282 L286 A287	R180-E284 IonicContact CZ-OE1 3.82Å; R180-E284 VanDerWaalsContact NH1-CD 3.34Å; R180-E284 IonicContact NH1-OE1 3.35Å; R180-E284 PolarHBondContact NH1-OE1 3.48Å; F282-E284 PolarHBondContact O-N 3.33Å; E284-L286 PolarHBondContact O-N 2.65Å; E284-A287 WeakPolarHBondContact O-CB 3.32Å; E284-A287 PolarHBondContact O-N 3.35Å
285	S	87.4	Confident	88.7	Confident	95 Å²	95	80 Å²	80	66%	0.664	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.4	179.5	68	0	0	0	0	113.9	D283 A287	D283-S285 PolarHBondContact O-N 3.47Å; D283-S285 WeakPolarHBondContact OD1-CB 3.44Å; D283-S285 PolarHBondContact OD1-N 3.04Å; D283-S285 PolarHBondContact OD1-OG 2.85Å; D283-S285 PolarHBondContact OD2-OG 3.4Å; S285-A287 VanDerWaalsContact C-N 3.34Å
286	L	90.3	Very high	87.5	Confident	95 Å²	95	80.2 Å²	80.2	50%	0.497	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-87.9	-2.8	178	-65.4	176.3	0	0	0	112.8	Y182 P183 D283 E284 K288	Y182-L286 HydrophobicContact CD1-CB 4.44Å; P183-L286 WeakPolarHBondContact CD-O 3.45Å; D283-L286 HydrophobicContact CB-CD1 4.21Å; D283-L286 HydrophobicContact CB-CG 4.36Å; D283-L286 PolarHBondContact O-N 2.71Å; E284-L286 PolarHBondContact O-N 2.65Å; L286-K288 PolarHBondContact O-N 2.82Å
287	A	91.1	Very high	86.2	Confident	24 Å²	24	82 Å²	82	20%	0.198	46%	0.462	C	S	.	.			trans	-66.9	125.1	179	0	0	0	0	0	110.2	I181 Y182 E284 S285 T290	I181-A287 CarbonylContact O-C 3.59Å; I181-A287 WeakPolarHBondContact O-CA 3.35Å; Y182-A287 HydrophobicContact CD1-CB 4.21Å; Y182-A287 HydrophobicContact CE1-CB 3.75Å; E284-A287 WeakPolarHBondContact O-CB 3.32Å; E284-A287 PolarHBondContact O-N 3.35Å; S285-A287 VanDerWaalsContact C-N 3.34Å; A287-T290 HydrophobicContact CB-CG2 3.7Å
288	K	90.4	Very high	85.3	Confident	112 Å²	112	87 Å²	87	49%	0.487	49%	0.485	S	S	.	.	S	Bend	trans	-71.5	-43.1	174.3	176.3	-174.5	171.4	-169.5	0	110.9	W154 I181 Y240 L286	W154-K288 PolarHBondContact O-NZ 3.09Å; W154-K288 VanDerWaalsContact O-NZ 3.16Å; I181-K288 PolarHBondContact O-N 2.73Å; Y240-K288 HydrophobicContact CD1-CD 4.1Å; Y240-K288 HydrophobicContact CE1-CB 4.4Å; Y240-K288 HydrophobicContact CE1-CD 3.66Å; L286-K288 PolarHBondContact O-N 2.82Å
289	D	92.2	Very high	84.9	Confident	59 Å²	59	88.1 Å²	88.1	32%	0.316	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.1	-174.3	-169.5	15.6	0	0	0	109.1	A159 I181	A159-D289 HydrophobicContact CB-CB 4.03Å; A159-D289 WeakPolarHBondContact CB-OD2 3.44Å; A159-D289 PolarHBondContact N-OD2 3.2Å; I181-D289 HydrophobicContact CB-CB 4.45Å; I181-D289 HydrophobicContact CD1-CB 4.29Å; I181-D289 PolarHBondContact N-O 3.21Å
290	T	93.6	Very high	84.6	Confident	75 Å²	75	85.5 Å²	85.5	46%	0.46	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.6	-174.4	57.4	0	0	0	0	108.9	R180 A287	R180-T290 HydrophobicContact CB-CG2 4.45Å; R180-T290 HydrophobicContact CG-CG2 3.95Å; A287-T290 HydrophobicContact CB-CG2 3.7Å
291	A	92.6	Very high	84.3	Confident	2 Å²	2	87.5 Å²	87.5	2%	0.017	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.1	175	0	0	0	0	0	111	A159 R160 S178 V179	A159-A291 VanDerWaalsContact C-CB 3.44Å; A159-A291 HydrophobicContact CB-CB 3.78Å; A159-A291 WeakPolarHBondContact O-CB 3.43Å; R160-A291 HydrophobicContact CB-CB 4.46Å; S178-A291 VanDerWaalsContact CA-O 3.32Å; S178-A291 WeakPolarHBondContact CA-O 3.44Å; V179-A291 PolarHBondContact N-O 3.22Å; V179-A291 PolarHBondContact O-N 2.92Å
292	E	90	Very high	84.1	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	177.7	173.2	-60.7	-169.8	171.5	0	0	110.9	V294 D295	E292-V294 PolarHBondContact O-N 2.94Å; E292-V294 VanDerWaalsContact O-N 3.15Å; E292-D295 PolarHBondContact N-OD2 3.08Å; E292-D295 PolarHBondContact O-N 3.45Å; E292-D295 VanDerWaalsContact O-N 3.14Å
293	L	82.8	Confident	84	Confident	109 Å²	109	83 Å²	83	57%	0.571	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-55.7	-32.8	178.4	-177.1	61.2	0	0	0	112.8	Y163 D295 C296	Y163-L293 HydrophobicContact CE1-CD1 4.28Å; Y163-L293 WeakPolarHBondContact OH-CA 3.31Å; Y163-L293 WeakPolarHBondContact OH-CB 3.37Å; Y163-L293 WeakPolarHBondContact OH-CD1 3.45Å; L293-D295 VanDerWaalsContact C-N 3.28Å; L293-D295 PolarHBondContact O-N 2.92Å; L293-C296 PolarHBondContact O-N 3.1Å
294	V	75.1	Confident	84	Confident	129 Å²	129	84.4 Å²	84.4	78%	0.782	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-66.1	-31.3	-177.4	-176.9	0	0	0	0	111.8	E292 C296	E292-V294 PolarHBondContact O-N 2.94Å; E292-V294 VanDerWaalsContact O-N 3.15Å; V294-C296 PolarHBondContact O-N 3.4Å
295	D	69.6	Low	84.2	Confident	77 Å²	77	78.5 Å²	78.5	41%	0.412	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-80.1	-10.7	-175.4	-55	-45.8	0	0	0	112.8	R160 E292 L293 S297	R160-D295 VanDerWaalsContact CZ-O 3.27Å; R160-D295 PolarHBondContact NE-O 3.28Å; R160-D295 PolarHBondContact NH2-O 3.32Å; E292-D295 PolarHBondContact N-OD2 3.08Å; E292-D295 PolarHBondContact O-N 3.45Å; E292-D295 VanDerWaalsContact O-N 3.14Å; L293-D295 VanDerWaalsContact C-N 3.28Å; L293-D295 PolarHBondContact O-N 2.92Å; D295-S297 PolarHBondContact O-N 2.9Å; D295-S297 VanDerWaalsContact O-N 3.13Å
296	C	69.3	Low	84.3	Confident	33 Å²	33	78.8 Å²	78.8	22%	0.223	42%	0.418	C	S	.	.			trans	-89.4	75.2	-178.8	-67.7	0	0	0	0	111	Y163 L293 V294	Y163-C296 HydrophobicContact CD1-CB 4.31Å; Y163-C296 WeakPolarHBondContact CD1-SG 3.42Å; Y163-C296 HydrophobicContact CE1-CB 4.33Å; L293-C296 PolarHBondContact O-N 3.1Å; V294-C296 PolarHBondContact O-N 3.4Å
297	S	67.3	Low	84.3	Confident	50 Å²	50	74.8 Å²	74.8	35%	0.35	40%	0.397	S	S	.	.			trans	-74.3	152.2	169.5	66.1	0	0	0	0	112	R160 D295 T299 Y300	R160-S297 PolarHBondContact NH2-O 3.34Å; R160-S297 PolarHBondContact NH2-OG 3.48Å; D295-S297 PolarHBondContact O-N 2.9Å; D295-S297 VanDerWaalsContact O-N 3.13Å; S297-T299 PolarHBondContact O-N 2.99Å; S297-T299 PolarHBondContact OG-OG1 3.15Å; S297-Y300 PolarHBondContact O-N 2.89Å; S297-Y300 VanDerWaalsContact O-N 3.15Å
298	D	72.5	Confident	84.2	Confident	177 Å²	177	74.2 Å²	74.2	95%	0.947	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-9.1	171.7	-67.6	-31.2	0	0	0	113.6	Y300	D298-Y300 VanDerWaalsContact C-N 3.34Å
299	T	82.2	Confident	84.1	Confident	110 Å²	110	69.1 Å²	69.1	68%	0.675	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	9.4	178.7	58.4	0	0	0	0	114.2	S297 K301	S297-T299 PolarHBondContact O-N 2.99Å; S297-T299 PolarHBondContact OG-OG1 3.15Å; T299-K301 PolarHBondContact O-N 2.98Å
300	Y	84.7	Confident	83.8	Confident	51 Å²	51	67.7 Å²	67.7	20%	0.2	36%	0.364	C	S	.	.			trans	-60.8	129	178.6	174.6	-106.8	0	0	0	112.7	R160 D161 V164 S297 D298 P302	R160-Y300 HydrophobicContact CG-CD2 4.2Å; R160-Y300 HydrophobicContact CG-CE2 4.37Å; D161-Y300 WeakPolarHBondContact CA-OH 3.41Å; D161-Y300 HydrophobicContact CB-CE2 4.5Å; D161-Y300 WeakPolarHBondContact CB-OH 3.13Å; D161-Y300 WeakPolarHBondContact OD1-CE2 3.36Å; D161-Y300 PolarHBondContact OD1-OH 3.11Å; V164-Y300 HydrophobicContact CB-CD1 4.3Å; V164-Y300 HydrophobicContact CB-CE1 4.07Å; V164-Y300 HydrophobicContact CG1-CD1 3.84Å; V164-Y300 HydrophobicContact CG1-CE1 3.75Å; V164-Y300 HydrophobicContact CG2-CD1 4.04Å; V164-Y300 HydrophobicContact CG2-CD2 4.18Å; V164-Y300 HydrophobicContact CG2-CE1 4.21Å; V164-Y300 HydrophobicContact CG2-CE2 4.34Å; V164-Y300 HydrophobicContact CG2-CG 4.01Å; S297-Y300 PolarHBondContact O-N 2.89Å; S297-Y300 VanDerWaalsContact O-N 3.15Å; D298-Y300 VanDerWaalsContact C-N 3.34Å; Y300-P302 HydrophobicContact CE1-CB 4.18Å
301	K	85.4	Confident	83.3	Confident	136 Å²	136	66.6 Å²	66.6	59%	0.591	36%	0.36	S	S	*	.			trans	-115.5	122.4	174.3	-69.8	179.8	-176.3	169.8	0	109.7	T299	T299-K301 PolarHBondContact O-N 2.98Å
302	P	85.9	Confident	83	Confident	57 Å²	57	70 Å²	70	37%	0.37	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-72.1	133.6	-177.6	26.1	-33.1	0	0	0	113	Y300 H304	Y300-P302 HydrophobicContact CE1-CB 4.18Å; P302-H304 PolarHBondContact O-ND1 3.12Å
303	V	87.5	Confident	82.7	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.042	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-77.5	122.2	175.9	178.6	0	0	0	0	111.4	F305 F324	V303-F305 HydrophobicContact CG1-CD1 4.11Å; V303-F324 HydrophobicContact CB-CE1 4.35Å; V303-F324 HydrophobicContact CG1-CD1 3.84Å; V303-F324 HydrophobicContact CG1-CE1 3.17Å; V303-F324 HydrophobicContact CG1-CZ 3.67Å; V303-F324 HydrophobicContact CG2-CE1 4.3Å
304	H	88.9	Confident	83	Confident	126 Å²	126	71.6 Å²	71.6	58%	0.583	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-98.1	120.3	178	-67.6	48.7	0	0	0	110.6	P302	P302-H304 PolarHBondContact O-ND1 3.12Å
305	F	90	Very high	83.6	Confident	12 Å²	12	65.9 Å²	65.9	5%	0.053	35%	0.352	C	S	.	.			trans	-146.4	172.3	177	67.3	-89.7	0	0	0	112.4	D153 R156 I157 Y264 S267 M269 V303	D153-F305 HydrophobicContact CB-CE2 3.94Å; D153-F305 HydrophobicContact CB-CZ 4.4Å; R156-F305 HydrophobicContact CB-CD1 3.91Å; R156-F305 HydrophobicContact CB-CD2 4.43Å; R156-F305 HydrophobicContact CB-CE1 4.06Å; R156-F305 HydrophobicContact CB-CG 4.09Å; R156-F305 HydrophobicContact CB-CZ 4.39Å; R156-F305 HydrophobicContact CG-CG 4.37Å; I157-F305 HydrophobicContact CD1-CE1 4.26Å; I157-F305 HydrophobicContact CD1-CZ 3.67Å; I157-F305 HydrophobicContact CG1-CE1 3.68Å; I157-F305 HydrophobicContact CG1-CZ 3.57Å; Y264-F305 AromaticContact CD1-CE1 3.88Å; Y264-F305 HydrophobicContact CD1-CE1 3.88Å; Y264-F305 AromaticContact CD1-CZ 3.98Å; Y264-F305 HydrophobicContact CD1-CZ 3.98Å; Y264-F305 AromaticContact CE1-CE1 3.68Å; Y264-F305 HydrophobicContact CE1-CE1 3.68Å; Y264-F305 HydrophobicContact CE1-CZ 4.23Å; S267-F305 WeakPolarHBondContact CA-O 3.23Å; M269-F305 HydrophobicContact SD-CE2 4.22Å; V303-F305 HydrophobicContact CG1-CD1 4.11Å
306	Q	89.7	Confident	84.5	Confident	102 Å²	102	69 Å²	69	48%	0.477	36%	0.362	S	S	.	.			trans	-138.6	132.6	173	-73.5	-178.9	-9.2	0	0	109.4	S266 A308	S266-Q306 WeakPolarHBondContact O-CG 3.23Å; Q306-A308 PolarHBondContact O-N 3.34Å
307	T	89.3	Confident	85.5	Confident	10 Å²	10	70.6 Å²	70.6	6%	0.061	37%	0.368	C	S	.	.			trans	-94.1	101.2	178.4	-58.6	0	0	0	0	109.9	S267 M269 A309 V310 S311	S267-T307 PolarHBondContact O-N 3.09Å; S267-T307 VanDerWaalsContact O-N 3.15Å; M269-T307 HydrophobicContact CE-CG2 4.43Å; M269-T307 HydrophobicContact CG-CG2 4.24Å; M269-T307 WeakPolarHBondContact CG-OG1 3.47Å; M269-T307 HydrophobicContact SD-CG2 3.96Å; M269-T307 PolarHBondContact SD-OG1 3.24Å; T307-A309 VanDerWaalsContact C-N 3.27Å; T307-A309 HydrophobicContact CG2-CB 4.4Å; T307-A309 PolarHBondContact O-N 3.35Å; T307-V310 HydrophobicContact CG2-CG2 4.25Å; T307-V310 PolarHBondContact O-N 3.18Å; T307-S311 PolarHBondContact O-OG 3.01Å
308	A	88.5	Confident	86.4	Confident	12 Å²	12	68.9 Å²	68.9	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-28.4	-175	0	0	0	0	0	113.2	Q306 V310 S311 Q312	Q306-A308 PolarHBondContact O-N 3.34Å; A308-V310 VanDerWaalsContact C-N 3.29Å; A308-V310 PolarHBondContact O-N 3.45Å; A308-S311 PolarHBondContact O-N 3.45Å; A308-Q312 HydrophobicContact CB-CB 4.23Å; A308-Q312 HydrophobicContact CB-CG 4.42Å; A308-Q312 WeakPolarHBondContact O-CB 3.3Å; A308-Q312 PolarHBondContact O-N 3.03Å
309	A	88.8	Confident	87.1	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-36.8	-177.6	0	0	0	0	0	113.1	R230 E233 I234 T307 V315	R230-A309 WeakPolarHBondContact CD-O 3.41Å; R230-A309 WeakPolarHBondContact CG-O 3.49Å; R230-A309 PolarHBondContact NE-O 2.96Å; E233-A309 HydrophobicContact CB-CB 3.58Å; E233-A309 HydrophobicContact CG-CB 4.38Å; I234-A309 HydrophobicContact CG1-CB 4.27Å; T307-A309 VanDerWaalsContact C-N 3.27Å; T307-A309 HydrophobicContact CG2-CB 4.4Å; T307-A309 PolarHBondContact O-N 3.35Å; A309-V315 HydrophobicContact CB-CG1 4.24Å
310	V	85.8	Confident	87.3	Confident	29 Å²	29	67.2 Å²	67.2	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	-86.4	-36	-177.5	-178.7	0	0	0	0	111.9	L133 L237 T307 A308	L133-V310 HydrophobicContact CD1-CG2 4.43Å; L237-V310 HydrophobicContact CD1-CG2 4.44Å; T307-V310 HydrophobicContact CG2-CG2 4.25Å; T307-V310 PolarHBondContact O-N 3.18Å; A308-V310 VanDerWaalsContact C-N 3.29Å; A308-V310 PolarHBondContact O-N 3.45Å
311	S	82.6	Confident	87.4	Confident	52 Å²	52	69.1 Å²	69.1	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-109.1	-24.5	-165.6	57.4	0	0	0	0	115.4	T307 A308	T307-S311 PolarHBondContact O-OG 3.01Å; A308-S311 PolarHBondContact O-N 3.45Å
312	Q	86.9	Confident	87.5	Confident	75 Å²	75	67.6 Å²	67.6	35%	0.35	35%	0.347	S	S	.	.			trans	-114.2	147.9	-170.1	-62.8	-178.7	3.3	0	0	112	R230 A308 K314	R230-Q312 PolarHBondContact NH2-O 2.89Å; A308-Q312 HydrophobicContact CB-CB 4.23Å; A308-Q312 HydrophobicContact CB-CG 4.42Å; A308-Q312 WeakPolarHBondContact O-CB 3.3Å; A308-Q312 PolarHBondContact O-N 3.03Å; Q312-K314 VanDerWaalsContact C-N 3.31Å; Q312-K314 PolarHBondContact O-N 3.01Å
313	T	84.9	Confident	87.5	Confident	125 Å²	125	69 Å²	69	77%	0.767	35%	0.351	S	S	*	.	S	Bend	trans	-66.2	-35.3	173.6	52.4	0	0	0	0	111.9	R230	R230-T313 PolarHBondContact NH2-O 3.44Å
314	K	87.4	Confident	87.5	Confident	129 Å²	129	71.2 Å²	71.2	56%	0.561	36%	0.36	S	S	*	.	S	Bend	trans	-93.7	111.6	175.8	-174.7	-176.2	179.1	-173.9	0	110.5	Q312	Q312-K314 VanDerWaalsContact C-N 3.31Å; Q312-K314 PolarHBondContact O-N 3.01Å
315	V	89.1	Confident	87.3	Confident	8 Å²	8	68 Å²	68	5%	0.048	35%	0.345	C	S	.	.			trans	-86.2	142	176.6	-175.1	0	0	0	0	110.4	M229 R230 E233 A309	M229-V315 HydrophobicContact CB-CB 4.35Å; M229-V315 HydrophobicContact CB-CG1 4.25Å; R230-V315 HydrophobicContact CB-CG2 3.83Å; R230-V315 HydrophobicContact CG-CG2 4.11Å; E233-V315 HydrophobicContact CB-CG1 4.42Å; E233-V315 HydrophobicContact CG-CG1 3.81Å; A309-V315 HydrophobicContact CB-CG1 4.24Å
316	K	88.3	Confident	87.1	Confident	143 Å²	143	74.9 Å²	74.9	62%	0.622	37%	0.371	S	S	*	.			trans	-104.5	131.5	171.1	-68.2	180	-179.3	175.3	0	108.2
317	L	89.1	Confident	87	Confident	67 Å²	67	73.2 Å²	73.2	35%	0.351	36%	0.362	S	S	.	.			trans	-73.2	129.8	173.5	-178	50.5	0	0	0	110	L202 M229 Y232 E233 W319	L202-L317 HydrophobicContact CD1-CD1 3.72Å; L202-L317 HydrophobicContact CD1-CD2 3.98Å; L202-L317 HydrophobicContact CD1-CG 4.47Å; M229-L317 HydrophobicContact CE-CB 3.44Å; M229-L317 VanDerWaalsContact CE-CB 3.44Å; M229-L317 HydrophobicContact CE-CD1 3.4Å; M229-L317 HydrophobicContact CE-CD2 3.83Å; M229-L317 HydrophobicContact CE-CG 3.67Å; Y232-L317 HydrophobicContact CD1-CD1 3.73Å; Y232-L317 HydrophobicContact CE1-CD1 3.67Å; E233-L317 WeakPolarHBondContact OE1-CA 3.38Å; E233-L317 WeakPolarHBondContact OE1-CD1 3.48Å; L317-W319 HydrophobicContact CD1-CB 3.66Å; L317-W319 HydrophobicContact CD2-CB 4.41Å; L317-W319 HydrophobicContact CG-CB 4.06Å
318	S	88.1	Confident	86.8	Confident	14 Å²	14	75.6 Å²	75.6	10%	0.098	37%	0.372	C	S	.	.			trans	-104.6	-5.1	177.5	64.5	0	0	0	0	113.7	E233 R236 D320 D321	E233-S318 PolarHBondContact OE1-N 3.04Å; E233-S318 PolarHBondContact OE1-OG 3.36Å; E233-S318 WeakPolarHBondContact OE2-CB 3.34Å; E233-S318 PolarHBondContact OE2-OG 2.84Å; R236-S318 PolarHBondContact NH1-O 3.2Å; R236-S318 PolarHBondContact NH1-OG 3.36Å; S318-D320 VanDerWaalsContact C-N 3.35Å; S318-D320 PolarHBondContact O-N 2.84Å; S318-D321 WeakPolarHBondContact O-CB 3.47Å; S318-D321 PolarHBondContact O-N 3.23Å; S318-D321 VanDerWaalsContact O-N 3.13Å
319	W	87.2	Confident	86.6	Confident	112 Å²	112	79.8 Å²	79.8	42%	0.424	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-46.8	-170.5	176.3	55	0	0	0	113.6	E194 P199 Y232 R236 L317	E194-W319 VanDerWaalsContact OE2-CD1 3.32Å; E194-W319 PolarHBondContact OE2-NE1 3.4Å; P199-W319 VanDerWaalsContact CD-CD2 3.46Å; P199-W319 HydrophobicContact CG-CB 4.09Å; P199-W319 HydrophobicContact CG-CD2 3.51Å; P199-W319 HydrophobicContact CG-CE3 4Å; P199-W319 HydrophobicContact CG-CG 3.51Å; Y232-W319 HydrophobicContact CE1-CB 3.96Å; R236-W319 VanDerWaalsContact NH1-CA 3.32Å; R236-W319 VanDerWaalsContact NH1-N 3.2Å; L317-W319 HydrophobicContact CD1-CB 3.66Å; L317-W319 HydrophobicContact CD2-CB 4.41Å; L317-W319 HydrophobicContact CG-CB 4.06Å
320	D	85.5	Confident	86.4	Confident	139 Å²	139	82.5 Å²	82.5	74%	0.743	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	22.1	180	-163.9	27.3	0	0	0	112.4	S318	S318-D320 VanDerWaalsContact C-N 3.35Å; S318-D320 PolarHBondContact O-N 2.84Å
321	D	86.6	Confident	86.3	Confident	91 Å²	91	88 Å²	88	49%	0.487	43%	0.425	S	S	.	.			trans	-74.6	128.6	176	-94.6	-24	0	0	0	110.2	S318	S318-D321 WeakPolarHBondContact O-CB 3.47Å; S318-D321 PolarHBondContact O-N 3.23Å; S318-D321 VanDerWaalsContact O-N 3.13Å
322	N	86.6	Confident	86.3	Confident	105 Å²	105	88.2 Å²	88.2	56%	0.561	42%	0.421	S	S	*	.			trans	-59	146.7	172	-34.5	-20	0	0	0	110.7	F324 K327	N322-F324 PolarHBondContact O-N 3.34Å; N322-K327 HydrophobicContact CB-CD 4.17Å; N322-K327 HydrophobicContact CB-CG 4.28Å; N322-K327 VanDerWaalsContact N-NZ 3.2Å; N322-K327 PolarHBondContact O-NZ 2.47Å
323	D	86.8	Confident	85.8	Confident	87 Å²	87	85.4 Å²	85.4	47%	0.465	41%	0.41	S	S	.	.			trans	-43.2	129	174.3	175.2	27.2	0	0	0	113.1	H325 R326 K327	D323-H325 IonicContact OD1-CD2 2.75Å; D323-H325 PolarHBondContact OD1-N 2.7Å; D323-R326 HydrophobicContact CB-CB 4.11Å; D323-R326 PolarHBondContact OD2-N 3.01Å; D323-K327 PolarHBondContact O-N 2.72Å; D323-K327 VanDerWaalsContact O-N 3.08Å
324	F	87.1	Confident	85.5	Confident	53 Å²	53	87.5 Å²	87.5	23%	0.232	41%	0.409	C	S	.	.	H	α-helix	trans	-64.1	-47.7	-176.4	176.9	-89.1	0	0	0	111.1	R156 V303 N322 R326 K327 E328	R156-F324 HydrophobicContact CG-CB 4.36Å; R156-F324 HydrophobicContact CG-CG 4.39Å; V303-F324 HydrophobicContact CB-CE1 4.35Å; V303-F324 HydrophobicContact CG1-CD1 3.84Å; V303-F324 HydrophobicContact CG1-CE1 3.17Å; V303-F324 HydrophobicContact CG1-CZ 3.67Å; V303-F324 HydrophobicContact CG2-CE1 4.3Å; N322-F324 PolarHBondContact O-N 3.34Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 2.57Å; F324-K327 PolarHBondContact O-N 3.13Å; F324-K327 VanDerWaalsContact O-N 3.15Å; F324-E328 HydrophobicContact CE1-CB 4.38Å; F324-E328 VanDerWaalsContact CE1-OE2 3.26Å; F324-E328 WeakPolarHBondContact CE1-OE2 3.2Å; F324-E328 WeakPolarHBondContact O-CB 3.43Å; F324-E328 PolarHBondContact O-N 3.48Å
325	H	85.4	Confident	85.2	Confident	57 Å²	57	83.5 Å²	83.5	26%	0.264	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-39.2	-177.5	-63.2	-75.2	0	0	0	111.2	R156 D323 E328 K329	R156-H325 PolarHBondContact O-NE2 3.43Å; D323-H325 IonicContact OD1-CD2 2.75Å; D323-H325 PolarHBondContact OD1-N 2.7Å; H325-E328 PolarHBondContact O-N 2.9Å; H325-K329 WeakPolarHBondContact O-CB 3.26Å; H325-K329 WeakPolarHBondContact O-CG 3.07Å; H325-K329 PolarHBondContact O-N 3.23Å
326	R	85.9	Confident	84.4	Confident	158 Å²	158	87 Å²	87	60%	0.596	43%	0.427	S	S	*	.	H	α-helix	trans	-62.3	-46.6	173	-176.8	179.8	177.7	-165.3	1.3	112.5	D323 F324 E328 K329 I330	D323-R326 HydrophobicContact CB-CB 4.11Å; D323-R326 PolarHBondContact OD2-N 3.01Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-R326 PolarHBondContact O-N 2.57Å; R326-E328 VanDerWaalsContact C-N 3.3Å; R326-E328 PolarHBondContact O-N 3.36Å; R326-K329 PolarHBondContact O-N 2.85Å; R326-I330 HydrophobicContact CG-CD1 3.85Å; R326-I330 WeakPolarHBondContact O-CB 3.49Å; R326-I330 WeakPolarHBondContact O-CG1 3.29Å; R326-I330 PolarHBondContact O-N 2.93Å
327	K	87.6	Confident	83.5	Confident	67 Å²	67	87.7 Å²	87.7	29%	0.291	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-43.7	177.5	-80.9	169.2	167.7	149	0	110.7	N322 D323 F324 I330 Q331	N322-K327 HydrophobicContact CB-CD 4.17Å; N322-K327 HydrophobicContact CB-CG 4.28Å; N322-K327 VanDerWaalsContact N-NZ 3.2Å; N322-K327 PolarHBondContact O-NZ 2.47Å; D323-K327 PolarHBondContact O-N 2.72Å; D323-K327 VanDerWaalsContact O-N 3.08Å; F324-K327 PolarHBondContact O-N 3.13Å; F324-K327 VanDerWaalsContact O-N 3.15Å; K327-I330 PolarHBondContact O-N 3.26Å; K327-Q331 WeakPolarHBondContact O-CB 3.47Å; K327-Q331 VanDerWaalsContact O-CG 3.29Å; K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.76Å
328	E	85.6	Confident	82.1	Confident	59 Å²	59	84.8 Å²	84.8	28%	0.276	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-50.2	178.9	-169.6	-178.4	-177.7	0	0	111.6	F324 H325 R326 I330 Q331 Q332	F324-E328 HydrophobicContact CE1-CB 4.38Å; F324-E328 VanDerWaalsContact CE1-OE2 3.26Å; F324-E328 WeakPolarHBondContact CE1-OE2 3.2Å; F324-E328 WeakPolarHBondContact O-CB 3.43Å; F324-E328 PolarHBondContact O-N 3.48Å; H325-E328 PolarHBondContact O-N 2.9Å; R326-E328 VanDerWaalsContact C-N 3.3Å; R326-E328 PolarHBondContact O-N 3.36Å; E328-I330 VanDerWaalsContact C-N 3.3Å; E328-I330 PolarHBondContact O-N 2.96Å; E328-Q331 PolarHBondContact O-N 2.79Å; E328-Q331 VanDerWaalsContact O-N 3.1Å; E328-Q332 HydrophobicContact CG-CG 4.26Å; E328-Q332 WeakPolarHBondContact O-CB 3.25Å; E328-Q332 WeakPolarHBondContact O-CG 3.35Å; E328-Q332 PolarHBondContact O-N 3.01Å; E328-Q332 PolarHBondContact OE1-NE2 3.42Å
329	K	82.6	Confident	80.7	Confident	100 Å²	100	89.4 Å²	89.4	44%	0.435	44%	0.44	S	S	.	.	H	α-helix	trans	-55	-45	175.8	-77.4	-170.1	173.9	-161.5	0	111.9	H325 R326 Q332 A333 D347	H325-K329 WeakPolarHBondContact O-CB 3.26Å; H325-K329 WeakPolarHBondContact O-CG 3.07Å; H325-K329 PolarHBondContact O-N 3.23Å; R326-K329 PolarHBondContact O-N 2.85Å; K329-Q332 PolarHBondContact O-N 3.29Å; K329-A333 WeakPolarHBondContact O-CB 3.29Å; K329-A333 PolarHBondContact O-N 3.31Å; K329-D347 IonicContact NZ-OD2 3.05Å; K329-D347 PolarHBondContact NZ-OD2 3.3Å
330	I	84.6	Confident	79.6	Confident	63 Å²	63	90.6 Å²	90.6	32%	0.323	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-46.5	177.1	-69.8	169.3	0	0	0	110.8	R326 K327 E328 A333 F334 L348	R326-I330 HydrophobicContact CG-CD1 3.85Å; R326-I330 WeakPolarHBondContact O-CB 3.49Å; R326-I330 WeakPolarHBondContact O-CG1 3.29Å; R326-I330 PolarHBondContact O-N 2.93Å; K327-I330 PolarHBondContact O-N 3.26Å; E328-I330 VanDerWaalsContact C-N 3.3Å; E328-I330 PolarHBondContact O-N 2.96Å; I330-A333 PolarHBondContact O-N 2.85Å; I330-F334 HydrophobicContact CG2-CD2 4.05Å; I330-F334 HydrophobicContact CG2-CE2 3.86Å; I330-F334 WeakPolarHBondContact O-CD2 3.27Å; I330-F334 PolarHBondContact O-N 3.14Å; I330-L348 HydrophobicContact CG1-CD2 4.2Å
331	Q	85.2	Confident	78.7	Confident	143 Å²	143	88 Å²	88	67%	0.668	44%	0.44	S	S	*	.	H	α-helix	trans	-63.6	-43.3	178.8	-74.8	177.3	16.1	0	0	112	K327 E328 F334 S335	K327-Q331 WeakPolarHBondContact O-CB 3.47Å; K327-Q331 VanDerWaalsContact O-CG 3.29Å; K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.76Å; E328-Q331 PolarHBondContact O-N 2.79Å; E328-Q331 VanDerWaalsContact O-N 3.1Å; Q331-F334 PolarHBondContact O-N 3.36Å; Q331-S335 PolarHBondContact O-N 3.45Å
332	Q	80.8	Confident	77.8	Confident	58 Å²	58	89.5 Å²	89.5	27%	0.271	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-46.6	177.2	-73.5	-176.9	8.4	0	0	110.4	E328 K329 F334 S335 A338	E328-Q332 HydrophobicContact CG-CG 4.26Å; E328-Q332 WeakPolarHBondContact O-CB 3.25Å; E328-Q332 WeakPolarHBondContact O-CG 3.35Å; E328-Q332 PolarHBondContact O-N 3.01Å; E328-Q332 PolarHBondContact OE1-NE2 3.42Å; K329-Q332 PolarHBondContact O-N 3.29Å; Q332-F334 PolarHBondContact O-N 3.32Å; Q332-F334 VanDerWaalsContact O-N 3.11Å; Q332-S335 WeakPolarHBondContact O-CA 3.41Å; Q332-S335 WeakPolarHBondContact O-CB 3.48Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.39Å; Q332-A338 WeakPolarHBondContact O-CB 3.49Å
333	A	77.7	Confident	76.9	Confident	15 Å²	15	90.7 Å²	90.7	12%	0.124	45%	0.45	C	S	.	.	H	α-helix	trans	-60.8	-23.7	178.9	0	0	0	0	0	114.8	K329 I330 L348	K329-A333 WeakPolarHBondContact O-CB 3.29Å; K329-A333 PolarHBondContact O-N 3.31Å; I330-A333 PolarHBondContact O-N 2.85Å; A333-L348 HydrophobicContact CB-CD1 3.3Å
334	F	78.3	Confident	75.8	Confident	169 Å²	169	89.5 Å²	89.5	74%	0.741	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.6	172.8	-70.1	-66.9	0	0	0	113.9	I330 Q331 Q332	I330-F334 HydrophobicContact CG2-CD2 4.05Å; I330-F334 HydrophobicContact CG2-CE2 3.86Å; I330-F334 WeakPolarHBondContact O-CD2 3.27Å; I330-F334 PolarHBondContact O-N 3.14Å; Q331-F334 PolarHBondContact O-N 3.36Å; Q332-F334 PolarHBondContact O-N 3.32Å; Q332-F334 VanDerWaalsContact O-N 3.11Å
335	S	80.7	Confident	74.8	Confident	45 Å²	45	89.9 Å²	89.9	32%	0.315	44%	0.444	S	S	.	.	S	Bend	trans	-72.7	145.1	174.6	77.9	0	0	0	0	110.7	Q331 Q332 E337 A338 I339	Q331-S335 PolarHBondContact O-N 3.45Å; Q332-S335 WeakPolarHBondContact O-CA 3.41Å; Q332-S335 WeakPolarHBondContact O-CB 3.48Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.39Å; S335-E337 PolarHBondContact O-N 2.99Å; S335-E337 VanDerWaalsContact O-N 3.14Å; S335-A338 PolarHBondContact O-N 3.02Å; S335-A338 PolarHBondContact OG-N 2.81Å; S335-I339 WeakPolarHBondContact O-CG1 3.19Å; S335-I339 PolarHBondContact O-N 2.88Å
336	A	72.7	Confident	73.9	Confident	82 Å²	82	90.1 Å²	90.1	68%	0.678	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.4	-176.8	0	0	0	0	0	113.3
337	E	69	Low	73	Confident	158 Å²	158	88.1 Å²	88.1	74%	0.738	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-40.3	-179.9	-65.2	175.8	-176.3	0	0	111.8	S335 I339 I340	S335-E337 PolarHBondContact O-N 2.99Å; S335-E337 VanDerWaalsContact O-N 3.14Å; E337-I339 PolarHBondContact O-N 3.31Å; E337-I340 WeakPolarHBondContact O-CB 3.36Å; E337-I340 PolarHBondContact O-N 3.28Å
338	A	59	Low	71.9	Confident	5 Å²	5	88.4 Å²	88.4	4%	0.041	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.4	-179.3	0	0	0	0	0	113.5	Q332 S335 I340 N341 D344	Q332-A338 WeakPolarHBondContact O-CB 3.49Å; S335-A338 PolarHBondContact O-N 3.02Å; S335-A338 PolarHBondContact OG-N 2.81Å; A338-I340 PolarHBondContact O-N 2.92Å; A338-I340 VanDerWaalsContact O-N 3.1Å; A338-N341 CarbonylContact O-C 3.53Å; A338-N341 PolarHBondContact O-N 2.96Å; A338-D344 HydrophobicContact CB-CB 4.39Å
339	I	60.6	Low	70.9	Confident	111 Å²	111	90.6 Å²	90.6	57%	0.569	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.6	172.5	-64.7	167.3	0	0	0	111.1	S335 E337	S335-I339 WeakPolarHBondContact O-CG1 3.19Å; S335-I339 PolarHBondContact O-N 2.88Å; E337-I339 PolarHBondContact O-N 3.31Å
340	I	63.2	Low	69.7	Low	137 Å²	137	90.7 Å²	90.7	70%	0.703	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-32.3	176.9	-56.3	172.6	0	0	0	111.4	E337 A338 E342	E337-I340 WeakPolarHBondContact O-CB 3.36Å; E337-I340 PolarHBondContact O-N 3.28Å; A338-I340 PolarHBondContact O-N 2.92Å; A338-I340 VanDerWaalsContact O-N 3.1Å; I340-E342 PolarHBondContact O-N 2.85Å
341	N	67.4	Low	67.6	Low	86 Å²	86	91.7 Å²	91.7	46%	0.46	50%	0.502	S	S	.	.			trans	-95.3	100	-178.4	-65.3	-17.8	0	0	0	109.5	A338 D343 D344	A338-N341 CarbonylContact O-C 3.53Å; A338-N341 PolarHBondContact O-N 2.96Å; N341-D343 PolarHBondContact O-N 3.44Å; N341-D343 VanDerWaalsContact O-N 3.16Å; N341-D344 PolarHBondContact O-N 3.31Å
342	E	66.7	Low	65.6	Low	121 Å²	121	91.1 Å²	91.1	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-55.9	-32.3	-178.4	-174.1	142.7	-135	0	0	113.1	I340 D344 Y345 C346	I340-E342 PolarHBondContact O-N 2.85Å; E342-D344 VanDerWaalsContact C-N 3.32Å; E342-D344 PolarHBondContact O-N 2.58Å; E342-Y345 VanDerWaalsContact CA-CE1 3.42Å; E342-Y345 HydrophobicContact CB-CE1 4.21Å; E342-Y345 HydrophobicContact CG-CE1 4.38Å; E342-Y345 HydrophobicContact CG-CE2 4.08Å; E342-Y345 WeakPolarHBondContact CG-OH 3.2Å; E342-Y345 PolarHBondContact O-N 2.91Å; E342-Y345 PolarHBondContact OE1-OH 3.41Å; E342-C346 PolarHBondContact O-N 3.01Å; E342-C346 PolarHBondContact O-SG 3.12Å
343	D	67.1	Low	63.7	Low	131 Å²	131	93 Å²	93	70%	0.701	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-32.5	-177.6	-55.3	-28.6	0	0	0	113.3	N341	N341-D343 PolarHBondContact O-N 3.44Å; N341-D343 VanDerWaalsContact O-N 3.16Å
344	D	63.8	Low	61.7	Low	62 Å²	62	95.3 Å²	95.3	33%	0.332	56%	0.559	S	S	.	*	H	α-helix	trans	-78	-24.8	-173	-70.7	-25.4	0	0	0	112.8	A338 N341 E342	A338-D344 HydrophobicContact CB-CB 4.39Å; N341-D344 PolarHBondContact O-N 3.31Å; E342-D344 VanDerWaalsContact C-N 3.32Å; E342-D344 PolarHBondContact O-N 2.58Å
345	Y	66.5	Low	59.5	Low	60 Å²	60	92.5 Å²	92.5	24%	0.235	56%	0.56	C	S	.	*	H	α-helix	trans	-102.4	-15.2	178.9	67.8	-109.9	0	0	0	113.8	E342 D347 L348 L349	E342-Y345 VanDerWaalsContact CA-CE1 3.42Å; E342-Y345 HydrophobicContact CB-CE1 4.21Å; E342-Y345 HydrophobicContact CG-CE1 4.38Å; E342-Y345 HydrophobicContact CG-CE2 4.08Å; E342-Y345 WeakPolarHBondContact CG-OH 3.2Å; E342-Y345 PolarHBondContact O-N 2.91Å; E342-Y345 PolarHBondContact OE1-OH 3.41Å; Y345-D347 VanDerWaalsContact C-N 3.26Å; Y345-D347 PolarHBondContact O-N 3.43Å; Y345-L348 PolarHBondContact O-N 3.1Å; Y345-L349 HydrophobicContact CD2-CD1 3.39Å; Y345-L349 HydrophobicContact CD2-CG 3.97Å; Y345-L349 HydrophobicContact CE2-CD1 3.56Å; Y345-L349 PolarHBondContact O-N 3.29Å
346	C	67.3	Low	57.4	Low	62 Å²	62	97.9 Å²	97.9	42%	0.419	59%	0.585	S	S	.	*	H	α-helix	trans	-54.2	-41.8	177.9	-81.6	0	0	0	0	112.1	E342 L348 L349	E342-C346 PolarHBondContact O-N 3.01Å; E342-C346 PolarHBondContact O-SG 3.12Å; C346-L348 PolarHBondContact O-N 3.02Å; C346-L349 PolarHBondContact O-N 3.45Å
347	D	66.6	Low	55.5	Low	116 Å²	116	98 Å²	98	62%	0.62	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-31.5	175.6	-75.3	1.7	0	0	0	113.7	K329 Y345	K329-D347 IonicContact NZ-OD2 3.05Å; K329-D347 PolarHBondContact NZ-OD2 3.3Å; Y345-D347 VanDerWaalsContact C-N 3.26Å; Y345-D347 PolarHBondContact O-N 3.43Å
348	L	65.4	Low	53.7	Low	73 Å²	73	98.4 Å²	98.4	38%	0.382	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-22.5	-176.8	-62.9	174.7	0	0	0	112.3	I330 A333 Y345 C346 A350	I330-L348 HydrophobicContact CG1-CD2 4.2Å; A333-L348 HydrophobicContact CB-CD1 3.3Å; Y345-L348 PolarHBondContact O-N 3.1Å; C346-L348 PolarHBondContact O-N 3.02Å; L348-A350 PolarHBondContact O-N 2.91Å; L348-A350 VanDerWaalsContact O-N 3.1Å
349	L	62.8	Low	52.5	Low	105 Å²	105	107.5 Å²	107.5	55%	0.55	63%	0.625	S	S	.	*			trans	-77.2	94.2	170.3	-67.1	-179.4	0	0	0	107.6	Y345 C346 S351	Y345-L349 HydrophobicContact CD2-CD1 3.39Å; Y345-L349 HydrophobicContact CD2-CG 3.97Å; Y345-L349 HydrophobicContact CE2-CD1 3.56Å; Y345-L349 PolarHBondContact O-N 3.29Å; C346-L349 PolarHBondContact O-N 3.45Å; L349-S351 PolarHBondContact O-N 2.72Å
350	A	58.2	Low	51	Low	103 Å²	103	106.8 Å²	106.8	85%	0.851	64%	0.636	S	S	*	*			trans	-64.4	56.7	162.5	0	0	0	0	0	110.7	L348 S352	L348-A350 PolarHBondContact O-N 2.91Å; L348-A350 VanDerWaalsContact O-N 3.1Å; A350-S352 PolarHBondContact O-N 2.87Å
351	S	40.3	Very low	49.3	Very low	83 Å²	83	109 Å²	109	58%	0.58	64%	0.643	S	S	*	*			trans	-68.3	98.3	176.2	-167.4	0	0	0	0	106.2	L349 S353 G354	L349-S351 PolarHBondContact O-N 2.72Å; S351-S353 PolarHBondContact O-N 3.08Å; S351-G354 PolarHBondContact O-N 3.07Å
352	S	44	Very low	47.5	Very low	131 Å²	131	112.9 Å²	112.9	92%	0.916	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	27.2	173	78.5	0	0	0	0	113	A350	A350-S352 PolarHBondContact O-N 2.87Å
353	S	39.6	Very low	45.7	Very low	97 Å²	97	111.8 Å²	111.8	68%	0.678	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	8.1	-174.5	-168.9	0	0	0	0	112.3	S351 S355	S351-S353 PolarHBondContact O-N 3.08Å; S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 VanDerWaalsContact O-N 3.12Å
354	G	37.6	Very low	43.8	Very low	64 Å²	64	115.2 Å²	115.2	66%	0.66	69%	0.687	S	S	*	*			trans	-76.5	89.9	169	0	0	0	0	0	109.7	S351 D356	S351-G354 PolarHBondContact O-N 3.07Å; G354-D356 PolarHBondContact O-N 3.12Å; G354-D356 VanDerWaalsContact O-N 3.09Å
355	S	32.2	Very low	42.3	Very low	110 Å²	110	116 Å²	116	77%	0.769	70%	0.702	S	S	*	*			trans	-60.1	104.3	167.9	-179.7	0	0	0	0	108.4	S353 S357	S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 VanDerWaalsContact O-N 3.12Å; S355-S357 PolarHBondContact O-N 2.98Å
356	D	36.4	Very low	40.6	Very low	158 Å²	158	121.4 Å²	121.4	85%	0.845	73%	0.734	S	S	*	*			trans	-64.7	98.7	170.5	-144.3	6.4	0	0	0	107.9	G354	G354-D356 PolarHBondContact O-N 3.12Å; G354-D356 VanDerWaalsContact O-N 3.09Å
357	S	32.6	Very low	38.7	Very low	85 Å²	85	124 Å²	124	59%	0.594	75%	0.753	S	S	*	*			trans	-100.6	131.4	166.9	-175.2	0	0	0	0	105.2	S355	S355-S357 PolarHBondContact O-N 2.98Å
358	E	31.5	Very low	37.3	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	77%	0.765	S	S	*	*	S	Bend	trans	86.7	74.2	-179.9	-41	-62.5	142.9	0	0	115.3
359	E	32	Very low	35.8	Very low	197 Å²	197	126.7 Å²	126.7	92%	0.921	79%	0.787	S	S	*	*				-178.4	98.4	115.1	-95.1	-174.4	-169.6	0	0	110.2
360	A	29	Very low	34.5	Very low	96 Å²	96	130 Å²	130	79%	0.793	80%	0.8	S	S	*	*			trans	-91.2	127.4	168	0	0	0	0	0	108.5
361	E	28	Very low	33.3	Very low	183 Å²	183	130.1 Å²	130.1	86%	0.855	79%	0.794	S	S	*	*			trans	161.5	77.7	140.9	-87.9	176.1	-152.4	0	0	111.1
362	N	29.7	Very low	33.1	Very low	168 Å²	168	134.6 Å²	134.6	90%	0.898	81%	0.806	S	S	*	*			trans	152	106.9	142.9	-90.3	-42.2	0	0	0	111.7
363	A	29.6	Very low	32.9	Very low	97 Å²	97	134.1 Å²	134.1	80%	0.802	80%	0.797	S	S	*	*			trans	176	75	137.9	0	0	0	0	0	110	A365	A363-A365 VanDerWaalsContact C-N 3.32Å; A363-A365 PolarHBondContact O-N 3.13Å; A363-A365 VanDerWaalsContact O-N 3.14Å
364	E	27.2	Very low	32.8	Very low	203 Å²	203	134.6 Å²	134.6	95%	0.949	80%	0.796	S	S	*	*			trans	-70	90.9	152.4	-81	-174.6	144.6	0	0	108.3
365	A	32.7	Very low	32.8	Very low	78 Å²	78	135.9 Å²	135.9	65%	0.645	80%	0.795	S	S	*	*			trans	176.6	131.8	151	0	0	0	0	0	110.3	A363	A363-A365 VanDerWaalsContact C-N 3.32Å; A363-A365 PolarHBondContact O-N 3.13Å; A363-A365 VanDerWaalsContact O-N 3.14Å
366	L	30.6	Very low	33.3	Very low	175 Å²	175	135.3 Å²	135.3	92%	0.916	79%	0.787	S	S	*	*			trans	83.8	73.3	175.2	-73.5	87	0	0	0	117.8
367	S	27.2	Very low	33.6	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	78%	0.78	S	S	*	*			trans	-151.7	95.6	151.3	66.8	0	0	0	0	111.8
368	V	36.1	Very low	34.2	Very low	145 Å²	145	134.5 Å²	134.5	88%	0.879	78%	0.779	S	S	*	*	S	Bend	trans	-134.5	-3.2	170.6	179.4	0	0	0	0	113.6
369	A	33.8	Very low	35.1	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	76%	0.764	S	S	*	*	S	Bend	trans	-116.9	-7.3	-164.6	0	0	0	0	0	118.9
370	E	35.4	Very low	36	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	76%	0.755	S	S	*	*	S	Bend	trans	-128.7	10	-167.8	-77.6	-175.7	151.5	0	0	116.9	E372	E370-E372 PolarHBondContact O-N 3.02Å
371	S	33.8	Very low	37.2	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	1.2	-168.2	54.5	0	0	0	0	117.6
372	E	35.4	Very low	38.7	Very low	178 Å²	178	130.7 Å²	130.7	83%	0.832	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-13.9	-173.1	-80.6	-172.3	155	0	0	116.1	E370	E370-E372 PolarHBondContact O-N 3.02Å
373	T	39.9	Very low	40.4	Very low	120 Å²	120	127.3 Å²	127.3	74%	0.736	72%	0.723	S	S	*	*	S	Bend	trans	-99.2	-15	-170.8	57.8	0	0	0	0	114.7
374	V	38.7	Very low	42.3	Very low	107 Å²	107	128.1 Å²	128.1	65%	0.648	71%	0.71	S	S	*	*	S	Bend	trans	-92.2	-21.4	-172.5	-112.1	0	0	0	0	114.6	V376	V374-V376 PolarHBondContact O-N 3.37Å
375	S	37.9	Very low	44.6	Very low	92 Å²	92	121.2 Å²	121.2	64%	0.643	69%	0.688	S	S	*	*	H	α-helix	trans	-71.8	-26.8	-175.5	-175	0	0	0	0	114.2	M377	S375-M377 VanDerWaalsContact C-N 3.34Å; S375-M377 PolarHBondContact O-N 3.48Å
376	V	42.5	Very low	46.8	Very low	98 Å²	98	123.3 Å²	123.3	59%	0.594	68%	0.684	S	S	*	*	H	α-helix	trans	-77.3	-18.3	-174.1	-176.4	0	0	0	0	113.1	V374	V374-V376 PolarHBondContact O-N 3.37Å
377	M	41.5	Very low	48.9	Very low	144 Å²	144	121.1 Å²	121.1	71%	0.709	67%	0.671	S	S	*	*	H	α-helix	trans	-87.8	-25.7	-175.5	-73.3	-106.4	-83.8	0	0	113.8	S375	S375-M377 VanDerWaalsContact C-N 3.34Å; S375-M377 PolarHBondContact O-N 3.48Å
378	S	46	Very low	51.3	Low	81 Å²	81	122.3 Å²	122.3	57%	0.566	66%	0.659	S	S	*	*	H	α-helix	trans	-77	-41.4	-175.6	-173	0	0	0	0	112.7	R380 K381	S378-R380 PolarHBondContact O-N 2.91Å; S378-K381 PolarHBondContact O-N 3.39Å
379	S	49.2	Very low	53.6	Low	66 Å²	66	124.7 Å²	124.7	46%	0.462	65%	0.652	S	S	.	*	H	α-helix	trans	-66.8	-22.3	178.8	42.8	0	0	0	0	113.6	N383	S379-N383 PolarHBondContact O-ND2 2.98Å
380	R	51.2	Low	56	Low	197 Å²	197	126 Å²	126	74%	0.743	64%	0.64	S	S	*	*	H	α-helix	trans	-80.5	-25.5	-179.3	-143.9	169.9	-165.3	161.4	3.3	113.8	S378	S378-R380 PolarHBondContact O-N 2.91Å
381	K	55.8	Low	58.2	Low	161 Å²	161	122.2 Å²	122.2	70%	0.7	63%	0.625	S	S	*	*	H	α-helix	trans	-82.7	-36.1	-179.8	-73.8	-177.3	179.6	176.6	0	112.8	S378 Q384 A385	S378-K381 PolarHBondContact O-N 3.39Å; K381-Q384 PolarHBondContact O-N 3.37Å; K381-A385 PolarHBondContact O-N 3.43Å
382	Q	57.7	Low	60.4	Low	138 Å²	138	122.8 Å²	122.8	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-64.9	-40.9	176.6	-70.5	-166.2	-18.3	0	0	112	Q384 A385 E386	Q382-Q384 VanDerWaalsContact C-N 3.25Å; Q382-Q384 PolarHBondContact O-N 2.92Å; Q382-A385 PolarHBondContact O-N 2.81Å; Q382-E386 PolarHBondContact O-N 3.26Å
383	N	66.9	Low	62.7	Low	98 Å²	98	120.7 Å²	120.7	52%	0.524	61%	0.61	S	S	.	*	H	α-helix	trans	-64.7	-27.6	176.8	-64.4	-11.6	0	0	0	113.3	S379 M387	S379-N383 PolarHBondContact O-ND2 2.98Å; N383-M387 WeakPolarHBondContact O-CB 3.03Å; N383-M387 VanDerWaalsContact O-CG 3.28Å; N383-M387 WeakPolarHBondContact O-CG 3.18Å; N383-M387 PolarHBondContact O-N 3.09Å
384	Q	69.6	Low	64.7	Low	114 Å²	114	117.3 Å²	117.3	53%	0.533	59%	0.591	S	S	.	*	H	α-helix	trans	-77	-34.9	-179.8	-147.4	171.3	24	0	0	111.7	K381 Q382 Y388	K381-Q384 PolarHBondContact O-N 3.37Å; Q382-Q384 VanDerWaalsContact C-N 3.25Å; Q382-Q384 PolarHBondContact O-N 2.92Å; Q384-Y388 HydrophobicContact CG-CE2 3.96Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.48Å; Q384-Y388 PolarHBondContact O-N 3.43Å
385	A	75.1	Confident	66.7	Low	58 Å²	58	116.3 Å²	116.3	48%	0.479	58%	0.581	S	S	.	*	H	α-helix	trans	-68.2	-39.3	175.4	0	0	0	0	0	112.5	K381 Q382 Y388 R389	K381-A385 PolarHBondContact O-N 3.43Å; Q382-A385 PolarHBondContact O-N 2.81Å; A385-Y388 PolarHBondContact O-N 3.24Å; A385-R389 PolarHBondContact O-N 2.64Å; A385-R389 VanDerWaalsContact O-N 3.09Å
386	E	78.6	Confident	68.6	Low	121 Å²	121	118.2 Å²	118.2	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-67.8	-38	175.6	-73	177.7	160	0	0	112.7	Q382 Y388 R389 Q390	Q382-E386 PolarHBondContact O-N 3.26Å; E386-Y388 VanDerWaalsContact C-N 3.34Å; E386-Y388 PolarHBondContact O-N 3.07Å; E386-R389 PolarHBondContact O-N 3.23Å; E386-Q390 PolarHBondContact O-N 2.9Å
387	M	73.8	Confident	70.1	Confident	129 Å²	129	116.6 Å²	116.6	64%	0.635	57%	0.573	S	S	*	*	H	α-helix	trans	-58.9	-42.1	172	-82.3	-78.8	-70.1	0	0	112.4	N383 L391	N383-M387 WeakPolarHBondContact O-CB 3.03Å; N383-M387 VanDerWaalsContact O-CG 3.28Å; N383-M387 WeakPolarHBondContact O-CG 3.18Å; N383-M387 PolarHBondContact O-N 3.09Å; M387-L391 WeakPolarHBondContact O-CB 3.04Å; M387-L391 PolarHBondContact O-N 3.05Å
388	Y	79.1	Confident	71.5	Confident	142 Å²	142	117 Å²	117	56%	0.557	57%	0.571	S	S	*	*	H	α-helix	trans	-69.6	-33.7	176.2	-73	-61.9	0	0	0	112.7	Q384 A385 E386 L391 L392	Q384-Y388 HydrophobicContact CG-CE2 3.96Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.48Å; Q384-Y388 PolarHBondContact O-N 3.43Å; A385-Y388 PolarHBondContact O-N 3.24Å; E386-Y388 VanDerWaalsContact C-N 3.34Å; E386-Y388 PolarHBondContact O-N 3.07Å; Y388-L391 PolarHBondContact O-N 3.46Å; Y388-L392 WeakPolarHBondContact O-CG 3.43Å; Y388-L392 PolarHBondContact O-N 3.01Å; Y388-L392 VanDerWaalsContact O-N 3.07Å
389	R	84.4	Confident	72.6	Confident	195 Å²	195	120.1 Å²	120.1	74%	0.736	57%	0.574	S	S	*	*	H	α-helix	trans	-63.1	-49.9	172.2	-78	-172.4	-170.2	-161.7	3.5	111.8	A385 E386 L391 L392 E393	A385-R389 PolarHBondContact O-N 2.64Å; A385-R389 VanDerWaalsContact O-N 3.09Å; E386-R389 PolarHBondContact O-N 3.23Å; R389-L391 VanDerWaalsContact C-N 3.27Å; R389-L391 PolarHBondContact O-N 2.84Å; R389-L392 PolarHBondContact O-N 3.09Å; R389-E393 PolarHBondContact O-N 2.66Å
390	Q	82.8	Confident	73.4	Confident	127 Å²	127	121.7 Å²	121.7	59%	0.593	58%	0.577	S	S	*	*	H	α-helix	trans	-60.9	-36.8	177.7	-72.2	-178.4	3.3	0	0	112.2	E386 E393 S394	E386-Q390 PolarHBondContact O-N 2.9Å; Q390-E393 PolarHBondContact O-N 3.21Å; Q390-S394 WeakPolarHBondContact O-CB 3.37Å; Q390-S394 PolarHBondContact O-N 2.99Å
391	L	82.4	Confident	73.9	Confident	96 Å²	96	121.9 Å²	121.9	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-66.1	-42.9	176.9	-169.7	68	0	0	0	112	M387 Y388 R389 S394 I395	M387-L391 WeakPolarHBondContact O-CB 3.04Å; M387-L391 PolarHBondContact O-N 3.05Å; Y388-L391 PolarHBondContact O-N 3.46Å; R389-L391 VanDerWaalsContact C-N 3.27Å; R389-L391 PolarHBondContact O-N 2.84Å; L391-S394 PolarHBondContact O-N 3.44Å; L391-S394 PolarHBondContact O-OG 2.9Å; L391-I395 HydrophobicContact CG-CD1 4.33Å; L391-I395 WeakPolarHBondContact O-CG1 3.49Å; L391-I395 PolarHBondContact O-N 3.14Å; L391-I395 VanDerWaalsContact O-N 3.16Å
392	L	80.8	Confident	74	Confident	116 Å²	116	124 Å²	124	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-63.7	-42.3	176.8	-76.6	166.7	0	0	0	111.8	Y388 R389 S394 I395 E396	Y388-L392 WeakPolarHBondContact O-CG 3.43Å; Y388-L392 PolarHBondContact O-N 3.01Å; Y388-L392 VanDerWaalsContact O-N 3.07Å; R389-L392 PolarHBondContact O-N 3.09Å; L392-S394 VanDerWaalsContact C-N 3.3Å; L392-S394 PolarHBondContact O-N 2.74Å; L392-I395 PolarHBondContact O-N 3.24Å; L392-I395 VanDerWaalsContact O-N 3.09Å; L392-E396 PolarHBondContact O-N 2.95Å
393	E	83.8	Confident	73.8	Confident	135 Å²	135	124.4 Å²	124.4	63%	0.631	58%	0.582	S	S	*	*	H	α-helix	trans	-62.6	-36.2	176.9	-149	171.1	-158.2	0	0	111.9	R389 Q390 S397	R389-E393 PolarHBondContact O-N 2.66Å; Q390-E393 PolarHBondContact O-N 3.21Å; E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.27Å; E393-S397 PolarHBondContact O-OG 3.14Å
394	S	80.6	Confident	73	Confident	49 Å²	49	127.9 Å²	127.9	34%	0.343	59%	0.592	S	S	.	*	H	α-helix	trans	-68.9	-29.5	174.1	82.6	0	0	0	0	113.8	Q390 L391 L392 S397 K398	Q390-S394 WeakPolarHBondContact O-CB 3.37Å; Q390-S394 PolarHBondContact O-N 2.99Å; L391-S394 PolarHBondContact O-N 3.44Å; L391-S394 PolarHBondContact O-OG 2.9Å; L392-S394 VanDerWaalsContact C-N 3.3Å; L392-S394 PolarHBondContact O-N 2.74Å; S394-S397 VanDerWaalsContact CA-OG 3.3Å; S394-S397 WeakPolarHBondContact CA-OG 3.4Å; S394-S397 PolarHBondContact O-OG 3.43Å; S394-S397 VanDerWaalsContact O-OG 3.12Å; S394-K398 WeakPolarHBondContact O-CB 3.42Å; S394-K398 PolarHBondContact O-N 2.88Å
395	I	80.3	Confident	71.9	Confident	85 Å²	85	127.9 Å²	127.9	44%	0.436	60%	0.6	S	S	.	*	H	α-helix	trans	-78.9	-41	177.9	-68.1	166.1	0	0	0	110.1	L391 L392 K398 K399	L391-I395 HydrophobicContact CG-CD1 4.33Å; L391-I395 WeakPolarHBondContact O-CG1 3.49Å; L391-I395 PolarHBondContact O-N 3.14Å; L391-I395 VanDerWaalsContact O-N 3.16Å; L392-I395 PolarHBondContact O-N 3.24Å; L392-I395 VanDerWaalsContact O-N 3.09Å; I395-K398 PolarHBondContact O-N 2.63Å; I395-K399 PolarHBondContact O-N 2.89Å
396	E	77.8	Confident	70.4	Confident	132 Å²	132	129.6 Å²	129.6	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-64.1	-43.8	175.2	-92.8	-175.6	155.2	0	0	112.4	L392 K398 K399 N400	L392-E396 PolarHBondContact O-N 2.95Å; E396-K398 VanDerWaalsContact C-N 3.33Å; E396-K398 PolarHBondContact O-N 3.01Å; E396-K399 PolarHBondContact O-N 3.46Å; E396-K399 VanDerWaalsContact O-N 3.16Å; E396-N400 WeakPolarHBondContact O-CB 3.45Å; E396-N400 PolarHBondContact O-N 2.76Å
397	S	74.5	Confident	68.8	Low	65 Å²	65	131.8 Å²	131.8	46%	0.455	62%	0.619	S	S	.	*	H	α-helix	trans	-63.6	-35	175.2	47.6	0	0	0	0	112.8	E393 S394 R401	E393-S397 WeakPolarHBondContact O-CB 3.47Å; E393-S397 PolarHBondContact O-N 3.27Å; E393-S397 PolarHBondContact O-OG 3.14Å; S394-S397 VanDerWaalsContact CA-OG 3.3Å; S394-S397 WeakPolarHBondContact CA-OG 3.4Å; S394-S397 PolarHBondContact O-OG 3.43Å; S394-S397 VanDerWaalsContact O-OG 3.12Å; S397-R401 PolarHBondContact O-N 2.93Å
398	K	71.9	Confident	67.3	Low	152 Å²	152	133.9 Å²	133.9	66%	0.661	63%	0.627	S	S	*	*	H	α-helix	trans	-68.5	-37.4	170.3	-90.3	176	176.6	168.7	0	113.4	S394 I395 E396 R402	S394-K398 WeakPolarHBondContact O-CB 3.42Å; S394-K398 PolarHBondContact O-N 2.88Å; I395-K398 PolarHBondContact O-N 2.63Å; E396-K398 VanDerWaalsContact C-N 3.33Å; E396-K398 PolarHBondContact O-N 3.01Å; K398-R402 PolarHBondContact O-N 3.4Å
399	K	67.8	Low	65.1	Low	146 Å²	146	134.8 Å²	134.8	64%	0.635	64%	0.641	S	S	*	*	H	α-helix	trans	-66.6	-41.3	173.9	-103.8	-179.3	174.3	176.9	0	111.8	I395 E396 R402 K403	I395-K399 PolarHBondContact O-N 2.89Å; E396-K399 PolarHBondContact O-N 3.46Å; E396-K399 VanDerWaalsContact O-N 3.16Å; K399-R402 PolarHBondContact O-N 2.97Å; K399-K403 PolarHBondContact O-N 3.49Å
400	N	66.6	Low	62.6	Low	99 Å²	99	129 Å²	129	53%	0.529	64%	0.642	S	S	.	*	H	α-helix	trans	-69.1	-32.8	177.6	-79	-12	0	0	0	112.6	E396 K403 K404	E396-N400 WeakPolarHBondContact O-CB 3.45Å; E396-N400 PolarHBondContact O-N 2.76Å; N400-K403 PolarHBondContact O-N 3.15Å; N400-K404 PolarHBondContact O-N 3.08Å
401	R	61.8	Low	60.3	Low	201 Å²	201	130.2 Å²	130.2	76%	0.758	65%	0.653	S	S	*	*	H	α-helix	trans	-64.1	-40.7	169.4	-91.5	-177.9	141.9	169.8	-5.5	112.7	S397 T405	S397-R401 PolarHBondContact O-N 2.93Å; R401-T405 WeakPolarHBondContact O-CG2 3.34Å; R401-T405 PolarHBondContact O-N 2.95Å; R401-T405 PolarHBondContact O-OG1 3.05Å
402	R	57.2	Low	58.1	Low	206 Å²	206	133.3 Å²	133.3	78%	0.777	67%	0.669	S	S	*	*	H	α-helix	trans	-70	-31.4	176.4	-77.9	-179.2	136.6	143.5	-2.6	113.7	K398 K399 T405	K398-R402 PolarHBondContact O-N 3.4Å; K399-R402 PolarHBondContact O-N 2.97Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.05Å
403	K	53.6	Low	56	Low	147 Å²	147	133 Å²	133	64%	0.639	68%	0.677	S	S	*	*	H	α-helix	trans	-73	-42.6	173.5	-85.2	-175.2	171.3	-175.4	0	112.6	K399 N400 T405 S406	K399-K403 PolarHBondContact O-N 3.49Å; N400-K403 PolarHBondContact O-N 3.15Å; K403-T405 VanDerWaalsContact C-N 3.28Å; K403-T405 PolarHBondContact O-N 3.11Å; K403-S406 WeakPolarHBondContact O-CB 3.47Å; K403-S406 PolarHBondContact O-N 3.15Å
404	K	50.2	Low	53.5	Low	170 Å²	170	132.1 Å²	132.1	74%	0.739	68%	0.676	S	S	*	*	H	α-helix	trans	-64.9	-26.5	178.2	-84.1	-175.4	173.3	-178.6	0	114.2	N400 S406	N400-K404 PolarHBondContact O-N 3.08Å; K404-S406 VanDerWaalsContact C-N 3.31Å
405	T	47.4	Very low	51.6	Low	114 Å²	114	137.9 Å²	137.9	70%	0.699	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-10.8	174.9	50.7	0	0	0	0	113.4	R401 R402 K403	R401-T405 WeakPolarHBondContact O-CG2 3.34Å; R401-T405 PolarHBondContact O-N 2.95Å; R401-T405 PolarHBondContact O-OG1 3.05Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.05Å; K403-T405 VanDerWaalsContact C-N 3.28Å; K403-T405 PolarHBondContact O-N 3.11Å
406	S	42.7	Very low	49.5	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	72%	0.717	S	S	*	*	S	Bend	trans	-95.4	-6.2	-175.3	-171	0	0	0	0	114	K403 K404	K403-S406 WeakPolarHBondContact O-CB 3.47Å; K403-S406 PolarHBondContact O-N 3.15Å; K404-S406 VanDerWaalsContact C-N 3.31Å
407	E	44.3	Very low	47.8	Very low	166 Å²	166	144.9 Å²	144.9	78%	0.776	73%	0.731	S	S	*	*	S	Bend	trans	-100.6	3	-172.2	-75.9	174.4	166.8	0	0	114.3
408	Q	43.2	Very low	45.9	Very low	174 Å²	174	143.9 Å²	143.9	81%	0.813	73%	0.731	S	S	*	*	S	Bend	trans	-117.7	-2.2	-172	-125.8	176.4	13.4	0	0	117.2
409	N	33.2	Very low	44.3	Very low	160 Å²	160	143.6 Å²	143.6	86%	0.856	74%	0.737	S	S	*	*			trans	-137.2	104.4	174.9	-72.5	-43.2	0	0	0	109.9
410	G	32.5	Very low	42.7	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	75%	0.746	S	S	*	*			trans	-86.8	145.1	167.4	0	0	0	0	0	110
411	D	32.7	Very low	41.3	Very low	154 Å²	154	148.4 Å²	148.4	82%	0.824	76%	0.755	S	S	*	*			trans	70.7	112	172	-153.4	15.9	0	0	0	114.8
412	L	37.6	Very low	40.7	Very low	160 Å²	160	146 Å²	146	84%	0.838	76%	0.757	S	S	*	*			trans	178.8	112.7	141.1	-92.6	173.3	0	0	0	108.9	N414	L412-N414 PolarHBondContact O-N 3.26Å
413	S	35.2	Very low	40	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	76%	0.758	S	S	*	*			trans	-62.3	90.9	162.5	51.4	0	0	0	0	110.7
414	N	32.5	Very low	39.7	Very low	117 Å²	117	141.4 Å²	141.4	63%	0.626	75%	0.752	S	S	*	*			trans	-176.1	98.6	157	-129.1	13.4	0	0	0	108.1	L412 E416	L412-N414 PolarHBondContact O-N 3.26Å; N414-E416 PolarHBondContact ND2-OE1 3.37Å
415	D	40.8	Very low	39.3	Very low	170 Å²	170	138.1 Å²	138.1	91%	0.909	75%	0.746	S	S	*	*			trans	-103.2	77	160.6	-85.2	-28.5	0	0	0	107.1	K417	D415-K417 PolarHBondContact O-N 2.8Å; D415-K417 VanDerWaalsContact O-N 3.13Å
416	E	35.6	Very low	39.3	Very low	156 Å²	156	141.8 Å²	141.8	73%	0.729	75%	0.753	S	S	*	*			trans	-47.3	114.8	155.5	-71.5	173.4	162.4	0	0	107.3	N414 G418	N414-E416 PolarHBondContact ND2-OE1 3.37Å; E416-G418 PolarHBondContact O-N 2.82Å
417	K	41.8	Very low	39.8	Very low	207 Å²	207	143.4 Å²	143.4	90%	0.9	75%	0.75	S	S	*	*			trans	-60.9	84.7	154	-77.5	178.7	177.9	176.8	0	106.1	D415 D419	D415-K417 PolarHBondContact O-N 2.8Å; D415-K417 VanDerWaalsContact O-N 3.13Å; K417-D419 VanDerWaalsContact C-N 3.34Å; K417-D419 PolarHBondContact O-N 2.73Å
418	G	34.5	Very low	40.8	Very low	45 Å²	45	140.7 Å²	140.7	46%	0.464	75%	0.747	S	S	.	*			trans	-59	106.5	160	0	0	0	0	0	106.2	E416 Y420	E416-G418 PolarHBondContact O-N 2.82Å; G418-Y420 WeakPolarHBondContact O-CD2 3.31Å; G418-Y420 PolarHBondContact O-N 2.98Å
419	D	38.3	Very low	41.6	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	73%	0.728	S	S	*	*			trans	-51.9	97.7	156.1	-109.1	-22	0	0	0	105.6	K417 D421	K417-D419 VanDerWaalsContact C-N 3.34Å; K417-D419 PolarHBondContact O-N 2.73Å; D419-D421 PolarHBondContact O-N 2.79Å
420	Y	35.6	Very low	42.9	Very low	211 Å²	211	132.4 Å²	132.4	83%	0.827	72%	0.715	S	S	*	*			trans	-71.4	92.7	156.6	-59.1	-76.8	0	0	0	103.9	G418 L422	G418-Y420 WeakPolarHBondContact O-CD2 3.31Å; G418-Y420 PolarHBondContact O-N 2.98Å; Y420-L422 PolarHBondContact O-N 3.16Å
421	D	36.6	Very low	44.4	Very low	135 Å²	135	135.4 Å²	135.4	72%	0.722	71%	0.709	S	S	*	*			trans	-54.1	95.3	160.6	-80.1	-28.9	0	0	0	106.3	D419 E423	D419-D421 PolarHBondContact O-N 2.79Å; D421-E423 PolarHBondContact O-N 3.04Å
422	L	48.5	Very low	46.2	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	69%	0.691	S	S	*	*			trans	-69.1	85.5	167.1	-104.5	143.8	0	0	0	105	Y420 V424	Y420-L422 PolarHBondContact O-N 3.16Å; L422-V424 PolarHBondContact O-N 2.92Å
423	E	43.7	Very low	47.9	Very low	172 Å²	172	130.2 Å²	130.2	80%	0.804	68%	0.681	S	S	*	*			trans	-59.4	90.2	158.1	-73	-176.3	167.2	0	0	106.8	D421 T425	D421-E423 PolarHBondContact O-N 3.04Å; E423-T425 PolarHBondContact O-N 2.81Å
424	V	47.4	Very low	49.7	Very low	85 Å²	85	127.6 Å²	127.6	52%	0.515	67%	0.665	S	S	.	*			trans	-73.1	87.9	166.4	-178.9	0	0	0	0	105.6	L422 F426	L422-V424 PolarHBondContact O-N 2.92Å; V424-F426 HydrophobicContact CG1-CD2 4.42Å; V424-F426 PolarHBondContact O-N 3.38Å
425	T	41.1	Very low	51.7	Low	100 Å²	100	128.6 Å²	128.6	61%	0.613	67%	0.666	S	S	*	*			trans	-60.1	109.8	160.5	28.8	0	0	0	0	107.1	E423 E427	E423-T425 PolarHBondContact O-N 2.81Å; T425-E427 PolarHBondContact O-N 2.93Å
426	F	47.2	Very low	53.5	Low	191 Å²	191	125.9 Å²	125.9	84%	0.838	65%	0.648	S	S	*	*			trans	-63.3	78.1	173.8	-92.1	-103	0	0	0	109.2	V424	V424-F426 HydrophobicContact CG1-CD2 4.42Å; V424-F426 PolarHBondContact O-N 3.38Å
427	E	52.6	Low	55.4	Low	130 Å²	130	123.6 Å²	123.6	61%	0.607	64%	0.64	S	S	*	*			trans	-80.1	129.9	164.8	-68.8	-170	172.7	0	0	108.2	T425 A429 L430	T425-E427 PolarHBondContact O-N 2.93Å; E427-A429 PolarHBondContact O-N 2.92Å; E427-L430 PolarHBondContact O-N 3.03Å; E427-L430 VanDerWaalsContact O-N 3.08Å
428	P	66.8	Low	56.9	Low	109 Å²	109	121.6 Å²	121.6	71%	0.708	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-6.9	-179.7	-2.9	1.9	0	0	0	114.5	L430	P428-L430 VanDerWaalsContact C-N 3.33Å
429	A	59.7	Low	58.9	Low	52 Å²	52	121.6 Å²	121.6	43%	0.43	62%	0.624	S	S	.	*	H	α-helix	trans	-75.1	-12.7	175.1	0	0	0	0	0	114.8	E427 S432	E427-A429 PolarHBondContact O-N 2.92Å; A429-S432 PolarHBondContact O-OG 3.17Å; A429-S432 VanDerWaalsContact O-OG 3.07Å
430	L	59.9	Low	60.8	Low	108 Å²	108	120.4 Å²	120.4	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-81.2	-32.4	174.2	-94.5	150.3	0	0	0	112.5	E427 P428 K433 A434	E427-L430 PolarHBondContact O-N 3.03Å; E427-L430 VanDerWaalsContact O-N 3.08Å; P428-L430 VanDerWaalsContact C-N 3.33Å; L430-K433 PolarHBondContact O-N 3.38Å; L430-A434 WeakPolarHBondContact O-CB 3.34Å; L430-A434 PolarHBondContact O-N 2.97Å
431	E	64.9	Low	62.5	Low	136 Å²	136	117.9 Å²	117.9	64%	0.636	60%	0.601	S	S	*	*	H	α-helix	trans	-65.2	-42.3	173.4	-90.1	172.2	159.1	0	0	111.6	K433 A434 E435	E431-K433 PolarHBondContact O-N 3.46Å; E431-A434 PolarHBondContact O-N 3.23Å; E431-E435 WeakPolarHBondContact O-CB 3.21Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 3.06Å
432	S	70.7	Confident	64.1	Low	65 Å²	65	118.1 Å²	118.1	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-63.5	-39.2	177.7	67.4	0	0	0	0	112.6	A429 E436	A429-S432 PolarHBondContact O-OG 3.17Å; A429-S432 VanDerWaalsContact O-OG 3.07Å; S432-E436 WeakPolarHBondContact O-CB 3.43Å; S432-E436 PolarHBondContact O-N 3.37Å
433	K	72.9	Confident	65.4	Low	140 Å²	140	119 Å²	119	61%	0.609	59%	0.588	S	S	*	*	H	α-helix	trans	-69.1	-36.7	173.7	-76.4	-179.1	179	169.5	0	112.6	L430 E431 E436 I437	L430-K433 PolarHBondContact O-N 3.38Å; E431-K433 PolarHBondContact O-N 3.46Å; K433-E436 PolarHBondContact O-N 3.44Å; K433-I437 WeakPolarHBondContact O-CD1 3.44Å; K433-I437 VanDerWaalsContact O-CG1 3.23Å; K433-I437 WeakPolarHBondContact O-CG1 3.44Å; K433-I437 PolarHBondContact O-N 3.15Å
434	A	72.7	Confident	66.5	Low	54 Å²	54	116 Å²	116	45%	0.446	57%	0.574	S	S	.	*	H	α-helix	trans	-67.4	-39.6	175.9	0	0	0	0	0	111.8	L430 E431 I437 K438	L430-A434 WeakPolarHBondContact O-CB 3.34Å; L430-A434 PolarHBondContact O-N 2.97Å; E431-A434 PolarHBondContact O-N 3.23Å; A434-I437 PolarHBondContact O-N 3.48Å; A434-K438 WeakPolarHBondContact O-CB 3.21Å; A434-K438 PolarHBondContact O-N 3.03Å
435	E	75.4	Confident	67.4	Low	138 Å²	138	114.4 Å²	114.4	65%	0.645	57%	0.567	S	S	*	*	H	α-helix	trans	-67.5	-37.3	172.9	-74.6	-170.8	156.9	0	0	112.5	E431 K438 S439	E431-E435 WeakPolarHBondContact O-CB 3.21Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 3.06Å; E435-K438 PolarHBondContact O-N 3.42Å; E435-S439 WeakPolarHBondContact O-CB 2.98Å; E435-S439 PolarHBondContact O-N 2.85Å; E435-S439 PolarHBondContact O-OG 3.29Å
436	E	77.2	Confident	68.7	Low	114 Å²	114	115.7 Å²	115.7	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-65.9	-38	174.9	-166.2	170.4	-178.2	0	0	112	S432 K433 S439 K440	S432-E436 WeakPolarHBondContact O-CB 3.43Å; S432-E436 PolarHBondContact O-N 3.37Å; K433-E436 PolarHBondContact O-N 3.44Å; E436-S439 WeakPolarHBondContact CA-OG 3.4Å; E436-S439 PolarHBondContact O-OG 3.34Å; E436-K440 WeakPolarHBondContact O-CB 3.34Å; E436-K440 PolarHBondContact O-N 2.96Å
437	I	75.2	Confident	70	Confident	107 Å²	107	112.2 Å²	112.2	55%	0.549	56%	0.56	S	S	.	*	H	α-helix	trans	-69.9	-39.8	174.3	-66.9	164	0	0	0	111.3	K433 A434 R441	K433-I437 WeakPolarHBondContact O-CD1 3.44Å; K433-I437 VanDerWaalsContact O-CG1 3.23Å; K433-I437 WeakPolarHBondContact O-CG1 3.44Å; K433-I437 PolarHBondContact O-N 3.15Å; A434-I437 PolarHBondContact O-N 3.48Å; I437-R441 WeakPolarHBondContact O-CG 3.09Å; I437-R441 PolarHBondContact O-N 3.35Å
438	K	74.2	Confident	71	Confident	166 Å²	166	107.5 Å²	107.5	72%	0.722	54%	0.539	S	S	*	.	H	α-helix	trans	-62.2	-45.4	174.4	-104.3	-179.4	175.7	177.5	0	111.5	A434 E435 R441 K442	A434-K438 WeakPolarHBondContact O-CB 3.21Å; A434-K438 PolarHBondContact O-N 3.03Å; E435-K438 PolarHBondContact O-N 3.42Å; K438-R441 PolarHBondContact O-N 2.99Å; K438-K442 PolarHBondContact O-N 2.84Å
439	S	76.4	Confident	71.7	Confident	44 Å²	44	105.7 Å²	105.7	31%	0.308	53%	0.526	S	S	.	.	H	α-helix	trans	-68.9	-36.7	179.2	59.7	0	0	0	0	112.6	E435 E436 K442 R443	E435-S439 WeakPolarHBondContact O-CB 2.98Å; E435-S439 PolarHBondContact O-N 2.85Å; E435-S439 PolarHBondContact O-OG 3.29Å; E436-S439 WeakPolarHBondContact CA-OG 3.4Å; E436-S439 PolarHBondContact O-OG 3.34Å; S439-K442 PolarHBondContact O-N 3.45Å; S439-R443 WeakPolarHBondContact O-CG 3.44Å; S439-R443 PolarHBondContact O-N 3.48Å
440	K	78	Confident	72.5	Confident	122 Å²	122	108.5 Å²	108.5	53%	0.53	54%	0.54	S	S	.	.	H	α-helix	trans	-60.5	-48.4	170.4	-105	176.4	175.2	167.2	0	112.6	E436 K442 R443 E444	E436-K440 WeakPolarHBondContact O-CB 3.34Å; E436-K440 PolarHBondContact O-N 2.96Å; K440-K442 VanDerWaalsContact C-N 3.27Å; K440-K442 PolarHBondContact O-N 3.41Å; K440-R443 PolarHBondContact O-N 3.13Å; K440-E444 WeakPolarHBondContact O-CG 3.5Å; K440-E444 PolarHBondContact O-N 2.77Å
441	R	71.4	Confident	73.2	Confident	157 Å²	157	111.5 Å²	111.5	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-61.3	-35.5	177.3	-78.8	179.9	129.3	-168	-9.2	112.6	I437 K438 S445	I437-R441 WeakPolarHBondContact O-CG 3.09Å; I437-R441 PolarHBondContact O-N 3.35Å; K438-R441 PolarHBondContact O-N 2.99Å; R441-S445 WeakPolarHBondContact O-CB 3.1Å; R441-S445 PolarHBondContact O-N 2.92Å
442	K	71	Confident	74	Confident	141 Å²	141	109.2 Å²	109.2	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-67.8	-45.3	177	-151.8	174.3	-177.4	-176.9	0	111.7	K438 S439 K440 E444 S445 E446	K438-K442 PolarHBondContact O-N 2.84Å; S439-K442 PolarHBondContact O-N 3.45Å; K440-K442 VanDerWaalsContact C-N 3.27Å; K440-K442 PolarHBondContact O-N 3.41Å; K442-E444 PolarHBondContact O-N 3.07Å; K442-S445 PolarHBondContact O-N 2.64Å; K442-S445 VanDerWaalsContact O-N 3.15Å; K442-S445 PolarHBondContact O-OG 3.4Å; K442-E446 PolarHBondContact O-N 2.85Å; K442-E446 VanDerWaalsContact O-N 3.17Å
443	R	74.2	Confident	74.4	Confident	167 Å²	167	112 Å²	112	63%	0.63	53%	0.534	S	S	*	.	H	α-helix	trans	-63.2	-39.6	174.1	-71	176.9	-174.8	141.1	0.6	113	S439 K440 S445 E446 T447	S439-R443 WeakPolarHBondContact O-CG 3.44Å; S439-R443 PolarHBondContact O-N 3.48Å; K440-R443 PolarHBondContact O-N 3.13Å; R443-S445 VanDerWaalsContact C-N 3.33Å; R443-E446 PolarHBondContact O-N 3.11Å; R443-T447 PolarHBondContact O-N 2.8Å; R443-T447 PolarHBondContact O-OG1 3.19Å
444	E	67.5	Low	74.7	Confident	110 Å²	110	111 Å²	111	51%	0.514	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-37.4	173.6	-74.5	176.5	178.1	0	0	111.4	K440 K442 E446 T447 L448	K440-E444 WeakPolarHBondContact O-CG 3.5Å; K440-E444 PolarHBondContact O-N 2.77Å; K442-E444 PolarHBondContact O-N 3.07Å; E444-E446 PolarHBondContact O-N 3.41Å; E444-T447 PolarHBondContact O-OG1 3.09Å; E444-L448 WeakPolarHBondContact O-CD1 3.39Å; E444-L448 WeakPolarHBondContact O-CG 3.44Å
445	S	66.1	Low	75.1	Confident	51 Å²	51	112.6 Å²	112.6	36%	0.357	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-31.5	177.7	75.4	0	0	0	0	114.5	R441 K442 R443 R453	R441-S445 WeakPolarHBondContact O-CB 3.1Å; R441-S445 PolarHBondContact O-N 2.92Å; K442-S445 PolarHBondContact O-N 2.64Å; K442-S445 VanDerWaalsContact O-N 3.15Å; K442-S445 PolarHBondContact O-OG 3.4Å; R443-S445 VanDerWaalsContact C-N 3.33Å; S445-R453 PolarHBondContact O-NE 3.39Å; S445-R453 VanDerWaalsContact O-NE 3.09Å; S445-R453 PolarHBondContact O-NH2 2.92Å
446	E	69.3	Low	75.4	Confident	128 Å²	128	110.7 Å²	110.7	60%	0.598	52%	0.519	S	S	*	.	H	α-helix	trans	-78.1	-27.2	-178.9	-75.8	168.4	-174.5	0	0	112.8	K442 R443 E444	K442-E446 PolarHBondContact O-N 2.85Å; K442-E446 VanDerWaalsContact O-N 3.17Å; R443-E446 PolarHBondContact O-N 3.11Å; E444-E446 PolarHBondContact O-N 3.41Å
447	T	73.4	Confident	75.6	Confident	117 Å²	117	110.9 Å²	110.9	72%	0.718	52%	0.518	S	S	*	.	H	α-helix	trans	-93.3	-4.6	-175.7	47.5	0	0	0	0	114.7	R443 E444	R443-T447 PolarHBondContact O-N 2.8Å; R443-T447 PolarHBondContact O-OG1 3.19Å; E444-T447 PolarHBondContact O-OG1 3.09Å
448	L	74.4	Confident	75.9	Confident	31 Å²	31	112.1 Å²	112.1	16%	0.162	52%	0.516	C	S	.	.	S	Bend	trans	-82.6	135.2	-178	-71.1	150.2	0	0	0	112.2	E444 Q452 R453	E444-L448 WeakPolarHBondContact O-CD1 3.39Å; E444-L448 WeakPolarHBondContact O-CG 3.44Å; L448-Q452 HydrophobicContact CB-CB 4.1Å; L448-Q452 HydrophobicContact CD2-CB 3.5Å; L448-Q452 HydrophobicContact CD2-CG 4.28Å; L448-Q452 HydrophobicContact CG-CB 4.39Å; L448-R453 HydrophobicContact CB-CG 3.87Å
449	T	80.5	Confident	76.3	Confident	72 Å²	72	111.5 Å²	111.5	44%	0.442	51%	0.513	S	S	.	.			trans	-59.5	152.1	168.6	51.6	0	0	0	0	111.2	W451 Q452 R453	T449-W451 PolarHBondContact O-N 2.85Å; T449-W451 VanDerWaalsContact O-N 3.07Å; T449-Q452 VanDerWaalsContact N-OE1 3.15Å; T449-Q452 PolarHBondContact O-N 3.22Å; T449-Q452 WeakPolarHBondContact OG1-CG 3.36Å; T449-Q452 PolarHBondContact OG1-OE1 3.23Å; T449-R453 PolarHBondContact O-N 2.97Å
450	P	76.5	Confident	76.5	Confident	110 Å²	110	113.6 Å²	113.6	71%	0.714	52%	0.518	S	S	*	.	H	α-helix	trans	-50.4	-36.9	179.9	-29	35.5	0	0	0	113.8	R453 Y454	P450-R453 PolarHBondContact O-N 3.36Å; P450-Y454 PolarHBondContact O-N 3.32Å; P450-Y454 VanDerWaalsContact O-N 3.09Å
451	W	74.7	Confident	76.6	Confident	171 Å²	171	111 Å²	111	65%	0.648	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-41.6	175.5	-178.2	-114.2	0	0	0	113.8	T449 R453 Y454 L455	T449-W451 PolarHBondContact O-N 2.85Å; T449-W451 VanDerWaalsContact O-N 3.07Å; W451-R453 VanDerWaalsContact C-N 3.34Å; W451-Y454 HydrophobicContact CE3-CD1 4.2Å; W451-Y454 HydrophobicContact CH2-CD1 4.41Å; W451-Y454 HydrophobicContact CH2-CE1 4.44Å; W451-Y454 AromaticContact CZ3-CD1 3.98Å; W451-Y454 HydrophobicContact CZ3-CD1 3.98Å; W451-Y454 HydrophobicContact CZ3-CE1 4.25Å; W451-Y454 WeakPolarHBondContact O-CB 3.32Å; W451-Y454 PolarHBondContact O-N 3.47Å; W451-L455 PolarHBondContact O-N 3.32Å
452	Q	82.1	Confident	76.9	Confident	88 Å²	88	109.9 Å²	109.9	41%	0.411	51%	0.508	S	S	.	.	H	α-helix	trans	-68.9	-34.3	177	-69.7	167.4	-26.7	0	0	111.7	L448 T449 L455 Q456	L448-Q452 HydrophobicContact CB-CB 4.1Å; L448-Q452 HydrophobicContact CD2-CB 3.5Å; L448-Q452 HydrophobicContact CD2-CG 4.28Å; L448-Q452 HydrophobicContact CG-CB 4.39Å; T449-Q452 VanDerWaalsContact N-OE1 3.15Å; T449-Q452 PolarHBondContact O-N 3.22Å; T449-Q452 WeakPolarHBondContact OG1-CG 3.36Å; T449-Q452 PolarHBondContact OG1-OE1 3.23Å; Q452-L455 PolarHBondContact O-N 3.19Å; Q452-Q456 PolarHBondContact O-N 2.81Å
453	R	80.3	Confident	77.5	Confident	125 Å²	125	110.2 Å²	110.2	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-43.6	170.2	-72.4	-174.3	174.3	153.6	3.2	111.5	S445 L448 T449 P450 W451 Q456 K457	S445-R453 PolarHBondContact O-NE 3.39Å; S445-R453 VanDerWaalsContact O-NE 3.09Å; S445-R453 PolarHBondContact O-NH2 2.92Å; L448-R453 HydrophobicContact CB-CG 3.87Å; T449-R453 PolarHBondContact O-N 2.97Å; P450-R453 PolarHBondContact O-N 3.36Å; W451-R453 VanDerWaalsContact C-N 3.34Å; R453-Q456 PolarHBondContact O-N 3.04Å; R453-K457 VanDerWaalsContact O-CB 3.31Å; R453-K457 WeakPolarHBondContact O-CB 3.49Å; R453-K457 PolarHBondContact O-N 3.28Å
454	Y	78.7	Confident	77.9	Confident	118 Å²	118	107.3 Å²	107.3	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-45.9	175.3	173.4	-98.4	0	0	0	112.4	P450 W451 K457 R458	P450-Y454 PolarHBondContact O-N 3.32Å; P450-Y454 VanDerWaalsContact O-N 3.09Å; W451-Y454 HydrophobicContact CE3-CD1 4.2Å; W451-Y454 HydrophobicContact CH2-CD1 4.41Å; W451-Y454 HydrophobicContact CH2-CE1 4.44Å; W451-Y454 AromaticContact CZ3-CD1 3.98Å; W451-Y454 HydrophobicContact CZ3-CD1 3.98Å; W451-Y454 HydrophobicContact CZ3-CE1 4.25Å; W451-Y454 WeakPolarHBondContact O-CB 3.32Å; W451-Y454 PolarHBondContact O-N 3.47Å; Y454-K457 PolarHBondContact O-N 3.46Å; Y454-R458 WeakPolarHBondContact O-CB 2.99Å; Y454-R458 PolarHBondContact O-N 3.05Å
455	L	81.4	Confident	78.5	Confident	87 Å²	87	109.8 Å²	109.8	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177.4	-90.4	159.8	0	0	0	112.9	W451 Q452 R458 K459	W451-L455 PolarHBondContact O-N 3.32Å; Q452-L455 PolarHBondContact O-N 3.19Å; L455-R458 PolarHBondContact O-N 2.88Å; L455-K459 WeakPolarHBondContact O-CB 3.46Å; L455-K459 PolarHBondContact O-N 2.88Å
456	Q	80.2	Confident	79.2	Confident	98 Å²	98	115.4 Å²	115.4	46%	0.458	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-45.8	175	-77.4	-171.6	-6.5	0	0	111.7	Q452 R453 R458 K459 E460	Q452-Q456 PolarHBondContact O-N 2.81Å; R453-Q456 PolarHBondContact O-N 3.04Å; Q456-R458 VanDerWaalsContact C-N 3.32Å; Q456-R458 PolarHBondContact O-N 3.44Å; Q456-K459 WeakPolarHBondContact O-CB 3.43Å; Q456-K459 PolarHBondContact O-N 3.49Å; Q456-K459 VanDerWaalsContact O-N 3.1Å; Q456-E460 PolarHBondContact O-N 3.32Å
457	K	82	Confident	79.8	Confident	119 Å²	119	113.6 Å²	113.6	52%	0.517	51%	0.512	S	S	.	.	H	α-helix	trans	-58.9	-43.8	177.1	-168.3	174.1	-177.3	179.7	0	111.2	R453 Y454 K459 E460 V461	R453-K457 VanDerWaalsContact O-CB 3.31Å; R453-K457 WeakPolarHBondContact O-CB 3.49Å; R453-K457 PolarHBondContact O-N 3.28Å; Y454-K457 PolarHBondContact O-N 3.46Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 3.1Å; K457-E460 PolarHBondContact O-N 3.42Å; K457-V461 WeakPolarHBondContact O-CG2 3.22Å; K457-V461 PolarHBondContact O-N 2.86Å
458	R	80.8	Confident	80.1	Confident	133 Å²	133	114 Å²	114	50%	0.502	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-34.5	176.1	-170.9	173.3	165.5	-177.1	-5.6	112.7	Y454 L455 Q456 R462	Y454-R458 WeakPolarHBondContact O-CB 2.99Å; Y454-R458 PolarHBondContact O-N 3.05Å; L455-R458 PolarHBondContact O-N 2.88Å; Q456-R458 VanDerWaalsContact C-N 3.32Å; Q456-R458 PolarHBondContact O-N 3.44Å; R458-R462 WeakPolarHBondContact O-CB 3.17Å; R458-R462 PolarHBondContact O-N 3.4Å
459	K	83.5	Confident	80.2	Confident	153 Å²	153	120.2 Å²	120.2	67%	0.665	53%	0.527	S	S	*	.	H	α-helix	trans	-69.8	-40	174.7	-166.8	177.9	-179.5	-179.7	0	111.7	L455 Q456 K457 R462 R463	L455-K459 WeakPolarHBondContact O-CB 3.46Å; L455-K459 PolarHBondContact O-N 2.88Å; Q456-K459 WeakPolarHBondContact O-CB 3.43Å; Q456-K459 PolarHBondContact O-N 3.49Å; Q456-K459 VanDerWaalsContact O-N 3.1Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 3.1Å; K459-R462 PolarHBondContact O-N 2.81Å; K459-R463 PolarHBondContact O-N 3.31Å
460	E	80.5	Confident	80.3	Confident	88 Å²	88	123 Å²	123	41%	0.411	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-45.9	177.1	-153.6	66.9	-148.3	0	0	111.2	Q456 K457 R462 R463 L464	Q456-E460 PolarHBondContact O-N 3.32Å; K457-E460 PolarHBondContact O-N 3.42Å; E460-R462 VanDerWaalsContact C-N 3.31Å; E460-R462 PolarHBondContact O-N 3.21Å; E460-R463 WeakPolarHBondContact O-CA 3.44Å; E460-R463 WeakPolarHBondContact O-CB 3.39Å; E460-R463 PolarHBondContact O-N 2.93Å; E460-L464 PolarHBondContact O-N 3Å
461	V	79.9	Confident	80.5	Confident	68 Å²	68	125.2 Å²	125.2	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-41.3	174.7	172.5	0	0	0	0	111.6	K457 R463 L464 R465	K457-V461 WeakPolarHBondContact O-CG2 3.22Å; K457-V461 PolarHBondContact O-N 2.86Å; V461-R463 VanDerWaalsContact C-N 3.3Å; V461-R463 PolarHBondContact O-N 2.82Å; V461-L464 PolarHBondContact O-N 3.33Å; V461-R465 WeakPolarHBondContact O-CB 3.46Å; V461-R465 WeakPolarHBondContact O-CG 3.44Å; V461-R465 PolarHBondContact O-N 2.69Å
462	R	78.7	Confident	80.8	Confident	132 Å²	132	122 Å²	122	50%	0.498	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-34.9	176.4	-169.1	-175.6	-71.3	146.5	-6.9	111.8	R458 K459 E460 R466	R458-R462 WeakPolarHBondContact O-CB 3.17Å; R458-R462 PolarHBondContact O-N 3.4Å; K459-R462 PolarHBondContact O-N 2.81Å; E460-R462 VanDerWaalsContact C-N 3.31Å; E460-R462 PolarHBondContact O-N 3.21Å; R462-R466 PolarHBondContact O-N 2.82Å
463	R	83.7	Confident	80.5	Confident	148 Å²	148	126.9 Å²	126.9	56%	0.558	53%	0.534	S	S	*	.	H	α-helix	trans	-68.9	-46.7	175.9	-170.9	-176.1	-178.6	178.6	0.8	111.2	K459 E460 V461 R466 M467	K459-R463 PolarHBondContact O-N 3.31Å; E460-R463 WeakPolarHBondContact O-CA 3.44Å; E460-R463 WeakPolarHBondContact O-CB 3.39Å; E460-R463 PolarHBondContact O-N 2.93Å; V461-R463 VanDerWaalsContact C-N 3.3Å; V461-R463 PolarHBondContact O-N 2.82Å; R463-R466 WeakPolarHBondContact O-CB 3.25Å; R463-R466 PolarHBondContact O-N 3.28Å; R463-R466 VanDerWaalsContact O-N 3.09Å; R463-M467 WeakPolarHBondContact O-CG 3.36Å; R463-M467 PolarHBondContact O-N 2.98Å
464	L	82.1	Confident	80.4	Confident	107 Å²	107	125.4 Å²	125.4	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-58.6	-49.5	176.2	-71.6	170.6	0	0	0	111.4	E460 V461 R466 M467 E468	E460-L464 PolarHBondContact O-N 3Å; V461-L464 PolarHBondContact O-N 3.33Å; L464-R466 PolarHBondContact O-N 3.36Å; L464-R466 VanDerWaalsContact O-N 3.12Å; L464-M467 PolarHBondContact O-N 3.16Å; L464-M467 VanDerWaalsContact O-N 3.11Å; L464-E468 WeakPolarHBondContact O-CB 3.23Å; L464-E468 PolarHBondContact O-N 2.91Å
465	R	79.7	Confident	80.4	Confident	162 Å²	162	122.7 Å²	122.7	61%	0.611	52%	0.523	S	S	*	.	H	α-helix	trans	-59.9	-25.5	175.2	-75.3	-176.2	174.3	-177.3	-0.7	114.1	V461 R469	V461-R465 WeakPolarHBondContact O-CB 3.46Å; V461-R465 WeakPolarHBondContact O-CG 3.44Å; V461-R465 PolarHBondContact O-N 2.69Å; R465-R469 WeakPolarHBondContact O-CB 3.4Å; R465-R469 PolarHBondContact O-N 2.99Å; R465-R469 PolarHBondContact O-NE 2.77Å; R465-R469 PolarHBondContact O-NH2 2.75Å
466	R	81.1	Confident	80.1	Confident	169 Å²	169	121.3 Å²	121.3	64%	0.638	53%	0.525	S	S	*	.	H	α-helix	trans	-81.5	-40	177	-169.6	-178.3	-72.8	150.8	-6.8	110.9	R462 R463 L464 R470	R462-R466 PolarHBondContact O-N 2.82Å; R463-R466 WeakPolarHBondContact O-CB 3.25Å; R463-R466 PolarHBondContact O-N 3.28Å; R463-R466 VanDerWaalsContact O-N 3.09Å; L464-R466 PolarHBondContact O-N 3.36Å; L464-R466 VanDerWaalsContact O-N 3.12Å; R466-R470 PolarHBondContact O-N 3.45Å; R466-R470 VanDerWaalsContact O-N 3.08Å
467	M	81.6	Confident	79.7	Confident	90 Å²	90	121 Å²	121	44%	0.443	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.7	-69.6	-68.8	-69	0	0	111.3	R463 L464 R470 R471	R463-M467 WeakPolarHBondContact O-CG 3.36Å; R463-M467 PolarHBondContact O-N 2.98Å; L464-M467 PolarHBondContact O-N 3.16Å; L464-M467 VanDerWaalsContact O-N 3.11Å; M467-R470 WeakPolarHBondContact O-CB 3.29Å; M467-R470 PolarHBondContact O-N 2.81Å; M467-R470 VanDerWaalsContact O-N 3.1Å; M467-R471 PolarHBondContact O-N 2.89Å
468	E	79.6	Confident	79.2	Confident	125 Å²	125	121.2 Å²	121.2	58%	0.584	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-39.3	180	-171.3	158.7	-159.4	0	0	112.6	L464 R470 R471 L472	L464-E468 WeakPolarHBondContact O-CB 3.23Å; L464-E468 PolarHBondContact O-N 2.91Å; E468-R470 VanDerWaalsContact C-N 3.29Å; E468-R470 PolarHBondContact O-N 2.66Å; E468-R471 PolarHBondContact O-N 3.33Å; E468-L472 HydrophobicContact CG-CD1 4.23Å; E468-L472 WeakPolarHBondContact O-CB 3.43Å; E468-L472 PolarHBondContact O-N 2.78Å
469	R	77.6	Confident	78.4	Confident	161 Å²	161	123.7 Å²	123.7	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-34.1	170.1	-89.4	-179.5	-74.4	-138.9	3.2	113.2	R465 R473	R465-R469 WeakPolarHBondContact O-CB 3.4Å; R465-R469 PolarHBondContact O-N 2.99Å; R465-R469 PolarHBondContact O-NE 2.77Å; R465-R469 PolarHBondContact O-NH2 2.75Å; R469-R473 WeakPolarHBondContact O-CB 3.42Å; R469-R473 PolarHBondContact O-N 3.18Å; R469-R473 VanDerWaalsContact O-N 3.15Å
470	R	80.9	Confident	77.3	Confident	131 Å²	131	123.9 Å²	123.9	49%	0.494	54%	0.539	S	S	.	.	H	α-helix	trans	-68.9	-46.1	176	-165.8	-177.5	72.9	-148.4	-1.2	110.4	R466 M467 E468 R473 E474	R466-R470 PolarHBondContact O-N 3.45Å; R466-R470 VanDerWaalsContact O-N 3.08Å; M467-R470 WeakPolarHBondContact O-CB 3.29Å; M467-R470 PolarHBondContact O-N 2.81Å; M467-R470 VanDerWaalsContact O-N 3.1Å; E468-R470 VanDerWaalsContact C-N 3.29Å; E468-R470 PolarHBondContact O-N 2.66Å; R470-R473 WeakPolarHBondContact O-CB 3.45Å; R470-R473 PolarHBondContact O-N 2.97Å; R470-R473 VanDerWaalsContact O-N 3.1Å; R470-E474 WeakPolarHBondContact CG-OE1 3.41Å; R470-E474 IonicContact NE-OE1 3.56Å; R470-E474 PolarHBondContact NE-OE1 2.79Å; R470-E474 WeakPolarHBondContact O-CG 3.43Å; R470-E474 PolarHBondContact O-N 3.49Å
471	R	81.7	Confident	76.1	Confident	156 Å²	156	129.1 Å²	129.1	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-58.6	-49	175.6	-177.1	-175.6	159.3	-170.7	-5.9	112.2	M467 E468 R473 E474 E475	M467-R471 PolarHBondContact O-N 2.89Å; E468-R471 PolarHBondContact O-N 3.33Å; R471-R473 PolarHBondContact O-N 3.44Å; R471-E474 PolarHBondContact O-N 3.08Å; R471-E474 VanDerWaalsContact O-N 3.14Å; R471-E475 HydrophobicContact CG-CG 4.46Å; R471-E475 IonicContact CZ-OE1 3.9Å; R471-E475 VanDerWaalsContact CZ-OE1 3.3Å; R471-E475 IonicContact NE-OE1 3.69Å; R471-E475 PolarHBondContact NE-OE1 3.45Å; R471-E475 IonicContact NH2-OE1 3.54Å; R471-E475 PolarHBondContact NH2-OE1 3.02Å; R471-E475 WeakPolarHBondContact O-CG 3.35Å; R471-E475 PolarHBondContact O-N 2.98Å
472	L	79.9	Confident	75	Confident	104 Å²	104	133.7 Å²	133.7	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-59.1	-32.8	175.1	-89.4	153.4	0	0	0	112.8	E468 A476	E468-L472 HydrophobicContact CG-CD1 4.23Å; E468-L472 WeakPolarHBondContact O-CB 3.43Å; E468-L472 PolarHBondContact O-N 2.78Å; L472-A476 WeakPolarHBondContact O-CB 3.43Å; L472-A476 PolarHBondContact O-N 3.33Å
473	R	77.7	Confident	73.3	Confident	191 Å²	191	131.6 Å²	131.6	72%	0.721	58%	0.579	S	S	*	*	H	α-helix	trans	-76.1	-36.4	176.7	-168.2	178.6	-177	-172.1	0.9	112.1	R469 R470 R471 N477	R469-R473 WeakPolarHBondContact O-CB 3.42Å; R469-R473 PolarHBondContact O-N 3.18Å; R469-R473 VanDerWaalsContact O-N 3.15Å; R470-R473 WeakPolarHBondContact O-CB 3.45Å; R470-R473 PolarHBondContact O-N 2.97Å; R470-R473 VanDerWaalsContact O-N 3.1Å; R471-R473 PolarHBondContact O-N 3.44Å; R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.02Å
474	E	77.6	Confident	71.1	Confident	94 Å²	94	130.8 Å²	130.8	44%	0.439	59%	0.586	S	S	.	*	H	α-helix	trans	-65.4	-50.4	172.9	-74.1	162.2	-175.8	0	0	110.2	R470 R471 A476 N477 E478	R470-E474 WeakPolarHBondContact CG-OE1 3.41Å; R470-E474 IonicContact NE-OE1 3.56Å; R470-E474 PolarHBondContact NE-OE1 2.79Å; R470-E474 WeakPolarHBondContact O-CG 3.43Å; R470-E474 PolarHBondContact O-N 3.49Å; R471-E474 PolarHBondContact O-N 3.08Å; R471-E474 VanDerWaalsContact O-N 3.14Å; E474-A476 VanDerWaalsContact C-N 3.32Å; E474-A476 PolarHBondContact O-N 3.21Å; E474-N477 WeakPolarHBondContact O-CB 3.35Å; E474-N477 PolarHBondContact O-N 2.97Å; E474-E478 PolarHBondContact O-N 2.98Å
475	E	77.6	Confident	68.9	Low	60 Å²	60	130.7 Å²	130.7	28%	0.28	59%	0.592	S	S	.	*	H	α-helix	trans	-60.5	-37.6	175.6	-72.5	176.2	-177.4	0	0	112.4	R471 R479	R471-E475 HydrophobicContact CG-CG 4.46Å; R471-E475 IonicContact CZ-OE1 3.9Å; R471-E475 VanDerWaalsContact CZ-OE1 3.3Å; R471-E475 IonicContact NE-OE1 3.69Å; R471-E475 PolarHBondContact NE-OE1 3.45Å; R471-E475 IonicContact NH2-OE1 3.54Å; R471-E475 PolarHBondContact NH2-OE1 3.02Å; R471-E475 WeakPolarHBondContact O-CG 3.35Å; R471-E475 PolarHBondContact O-N 2.98Å; E475-R479 WeakPolarHBondContact O-CG 3.1Å; E475-R479 PolarHBondContact O-N 2.98Å; E475-R479 VanDerWaalsContact O-N 3.13Å
476	A	76.3	Confident	66.9	Low	59 Å²	59	131.8 Å²	131.8	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-70	-31.4	174.8	0	0	0	0	0	112.8	L472 E474 K480	L472-A476 WeakPolarHBondContact O-CB 3.43Å; L472-A476 PolarHBondContact O-N 3.33Å; E474-A476 VanDerWaalsContact C-N 3.32Å; E474-A476 PolarHBondContact O-N 3.21Å; A476-K480 WeakPolarHBondContact O-CB 3.41Å; A476-K480 PolarHBondContact O-N 3.07Å
477	N	71.9	Confident	64.8	Low	92 Å²	92	129.1 Å²	129.1	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-75.5	-39.1	175.1	-101.6	9.3	0	0	0	111.8	R473 E474 K480 Y481	R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.02Å; E474-N477 WeakPolarHBondContact O-CB 3.35Å; E474-N477 PolarHBondContact O-N 2.97Å; N477-K480 WeakPolarHBondContact O-CB 3.18Å; N477-K480 PolarHBondContact O-N 3.29Å; N477-K480 VanDerWaalsContact O-N 3.16Å; N477-Y481 PolarHBondContact O-N 2.94Å; N477-Y481 VanDerWaalsContact O-N 3.09Å
478	E	70.9	Confident	62.5	Low	123 Å²	123	132.2 Å²	132.2	58%	0.575	63%	0.629	S	S	*	*	H	α-helix	trans	-62.2	-45.8	175.7	-78	173.8	169.3	0	0	111.2	E474 K480 Y481 E482	E474-E478 PolarHBondContact O-N 2.98Å; E478-K480 PolarHBondContact O-N 3.5Å; E478-K480 VanDerWaalsContact O-N 3.17Å; E478-Y481 PolarHBondContact O-N 3.14Å; E478-E482 PolarHBondContact O-N 3.3Å
479	R	64	Low	60.7	Low	185 Å²	185	133.6 Å²	133.6	70%	0.698	64%	0.641	S	S	*	*	H	α-helix	trans	-61.8	-25.9	174.2	-71.1	177.5	-177.5	-176.4	2.3	113.8	E475 S483	E475-R479 WeakPolarHBondContact O-CG 3.1Å; E475-R479 PolarHBondContact O-N 2.98Å; E475-R479 VanDerWaalsContact O-N 3.13Å; R479-S483 PolarHBondContact O-OG 2.91Å
480	K	60.3	Low	58.6	Low	156 Å²	156	134.2 Å²	134.2	68%	0.678	65%	0.651	S	S	*	*	H	α-helix	trans	-82.4	-22.1	177.7	-152.6	179.1	-174.5	-173.1	0	112.5	A476 N477 E478	A476-K480 WeakPolarHBondContact O-CB 3.41Å; A476-K480 PolarHBondContact O-N 3.07Å; N477-K480 WeakPolarHBondContact O-CB 3.18Å; N477-K480 PolarHBondContact O-N 3.29Å; N477-K480 VanDerWaalsContact O-N 3.16Å; E478-K480 PolarHBondContact O-N 3.5Å; E478-K480 VanDerWaalsContact O-N 3.17Å
481	Y	55.6	Low	56.6	Low	199 Å²	199	139.7 Å²	139.7	78%	0.78	67%	0.671	S	S	*	*	H	α-helix	trans	-92.3	-25.3	176.1	-98.6	-88.3	0	0	0	113	N477 E478	N477-Y481 PolarHBondContact O-N 2.94Å; N477-Y481 VanDerWaalsContact O-N 3.09Å; E478-Y481 PolarHBondContact O-N 3.14Å
482	E	55.7	Low	54.4	Low	164 Å²	164	141.8 Å²	141.8	77%	0.766	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-11.5	176.5	-75.2	175.2	156.9	0	0	114.4	E478	E478-E482 PolarHBondContact O-N 3.3Å
483	S	44.8	Very low	52.5	Low	87 Å²	87	143.6 Å²	143.6	61%	0.608	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	14.4	-176	49.1	0	0	0	0	115.1	R479	R479-S483 PolarHBondContact O-OG 2.91Å
484	N	36.9	Very low	50.3	Low	131 Å²	131	142.5 Å²	142.5	70%	0.701	71%	0.708	S	S	*	*			trans	-150	82.8	-178.4	-152.1	30	0	0	0	115.2
485	P	36.3	Very low	48.2	Very low	106 Å²	106	142 Å²	142	69%	0.688	73%	0.729	S	S	*	*			trans	-95.8	133.5	148.4	33.3	-22.1	0	0	0	109.4
486	E	37.3	Very low	46.2	Very low	185 Å²	185	143 Å²	143	86%	0.864	76%	0.755	S	S	*	*			trans	78.8	98.9	163.8	-54.6	-179.4	167	0	0	118.3
487	S	36.8	Very low	44	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	78%	0.775	S	S	*	*			trans	172.8	92.4	130.4	166.1	0	0	0	0	109.7	N489	S487-N489 PolarHBondContact O-N 3.43Å
488	D	34	Very low	42.2	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.788	S	S	*	*			trans	-55.5	120.8	154.7	-80.1	-37.4	0	0	0	109.4
489	N	40.1	Very low	40.4	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	81%	0.806	S	S	*	*			trans	-166.2	129.8	131.6	-103.3	-44.9	0	0	0	112.6	S487	S487-N489 PolarHBondContact O-N 3.43Å
490	E	34.7	Very low	39.1	Very low	174 Å²	174	151 Å²	151	81%	0.813	81%	0.813	S	S	*	*			trans	-54.9	142.2	177.3	-56.7	172.2	138.3	0	0	112.5
491	R	38.8	Very low	38.2	Very low	246 Å²	246	148.4 Å²	148.4	93%	0.928	82%	0.815	S	S	*	*				-169.4	112.5	128.2	-99.9	159	-155.2	-149.2	7.1	111
492	K	34.6	Very low	37.4	Very low	200 Å²	200	144.1 Å²	144.1	87%	0.87	81%	0.811	S	S	*	*			trans	-60	133.1	160.2	-66.2	172.8	174.5	174.4	0	109.4
493	T	39.9	Very low	36.5	Very low	141 Å²	141	146.1 Å²	146.1	87%	0.865	82%	0.817	S	S	*	*			trans	-154.7	125.4	137.1	44.5	0	0	0	0	109.4
494	D	32.6	Very low	36.1	Very low	168 Å²	168	150.3 Å²	150.3	90%	0.898	83%	0.829	S	S	*	*			trans	-61.8	156.6	176.4	-63.6	-53.9	0	0	0	113.8
495	G	33.9	Very low	36	Very low	84 Å²	84	147.3 Å²	147.3	87%	0.866	83%	0.83	S	S	*	*			trans	130.8	115.7	146.8	0	0	0	0	0	115.7
496	G	33.7	Very low	35.8	Very low	80 Å²	80	148.5 Å²	148.5	83%	0.825	84%	0.835	S	S	*	*			trans	132.8	69.3	155.3	0	0	0	0	0	115.9	G498	G496-G498 PolarHBondContact O-N 2.65Å
497	S	30.8	Very low	35.8	Very low	132 Å²	132	148 Å²	148	92%	0.923	84%	0.837	S	S	*	*			trans	-58.4	120.3	161.5	49.7	0	0	0	0	111.2
498	G	35	Very low	35.6	Very low	73 Å²	73	150.5 Å²	150.5	75%	0.753	84%	0.836	S	S	*	*			trans	-149.4	85.2	171.6	0	0	0	0	0	109.9	G496 Y500	G496-G498 PolarHBondContact O-N 2.65Å; G498-Y500 PolarHBondContact O-N 3.07Å
499	E	32.8	Very low	35.7	Very low	204 Å²	204	150.8 Å²	150.8	95%	0.953	84%	0.838	S	S	*	*			trans	-65.9	113	171.5	-74.5	176.8	139.4	0	0	109.8
500	Y	37.4	Very low	35.7	Very low	219 Å²	219	146.2 Å²	146.2	86%	0.859	83%	0.827	S	S	*	*			trans	-127.8	102.5	162.1	-162.6	-97.1	0	0	0	108.7	G498	G498-Y500 PolarHBondContact O-N 3.07Å
501	S	39.7	Very low	36.4	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	82%	0.817	S	S	*	*			trans	-86.1	126.4	171.5	44.7	0	0	0	0	109.3	K503	S501-K503 PolarHBondContact O-N 3.15Å
502	P	39.2	Very low	36.5	Very low	109 Å²	109	135.3 Å²	135.3	71%	0.708	80%	0.802	S	S	*	*			trans	-79.8	115.2	168.4	31	-27.4	0	0	0	108.2	M504	P502-M504 PolarHBondContact O-N 3.34Å; P502-M504 VanDerWaalsContact O-N 3.16Å
503	K	36.8	Very low	37.4	Very low	206 Å²	206	131.3 Å²	131.3	90%	0.896	79%	0.794	S	S	*	*			trans	-57.5	112.9	166.8	-72.8	175.4	176	173.7	0	108.9	S501 G505	S501-K503 PolarHBondContact O-N 3.15Å; K503-G505 PolarHBondContact O-N 3.4Å
504	M	37.8	Very low	37.9	Very low	175 Å²	175	130.1 Å²	130.1	86%	0.862	78%	0.782	S	S	*	*			trans	-73.5	107.9	166.6	-79.8	-73.2	-73.6	0	0	108.8	P502 V506	P502-M504 PolarHBondContact O-N 3.34Å; P502-M504 VanDerWaalsContact O-N 3.16Å; M504-V506 PolarHBondContact O-N 3.32Å
505	G	34.9	Very low	39	Very low	69 Å²	69	128.2 Å²	128.2	71%	0.711	77%	0.768	S	S	*	*			trans	-62	123.7	165.4	0	0	0	0	0	110	K503 L507	K503-G505 PolarHBondContact O-N 3.4Å; G505-L507 PolarHBondContact O-N 3.25Å
506	V	32.2	Very low	40.1	Very low	131 Å²	131	129.4 Å²	129.4	79%	0.794	75%	0.754	S	S	*	*			trans	-74.8	106.4	172.1	175.9	0	0	0	0	107.3	M504	M504-V506 PolarHBondContact O-N 3.32Å
507	L	35.9	Very low	41.2	Very low	173 Å²	173	132.7 Å²	132.7	91%	0.906	75%	0.748	S	S	*	*			trans	-107.3	115.6	159.1	-89	166.9	0	0	0	108.5	G505 N509	G505-L507 PolarHBondContact O-N 3.25Å; L507-N509 PolarHBondContact O-N 3.17Å
508	H	32.7	Very low	42.5	Very low	165 Å²	165	133.2 Å²	133.2	76%	0.764	74%	0.739	S	S	*	*			trans	-81.6	104.1	-173.9	-156.6	-82	0	0	0	108.4
509	N	36.4	Very low	43.3	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	74%	0.739	S	S	*	*			trans	-140.7	84.2	161.6	-84.7	-23	0	0	0	106.5	L507	L507-N509 PolarHBondContact O-N 3.17Å
510	G	41	Very low	44.5	Very low	58 Å²	58	132 Å²	132	60%	0.598	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-72.8	134.7	174.5	0	0	0	0	0	109.7	T512	G510-T512 PolarHBondContact O-N 3.38Å
511	P	48.3	Very low	45.1	Very low	94 Å²	94	125.1 Å²	125.1	61%	0.61	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-67.6	133.5	173	26.3	-25.9	0	0	0	108.7	E515	P511-E515 WeakPolarHBondContact CB-OE2 3.48Å
512	T	42.2	Very low	45.4	Very low	97 Å²	97	128 Å²	128	60%	0.595	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-58.5	152.3	179.2	43.7	0	0	0	0	111	G510 D514 E515	G510-T512 PolarHBondContact O-N 3.38Å; T512-D514 PolarHBondContact O-N 2.84Å; T512-E515 PolarHBondContact O-N 3.36Å
513	T	52.3	Low	45.2	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-12.5	-172.6	42.2	0	0	0	0	115.3
514	D	51.4	Low	45.2	Very low	115 Å²	115	128.7 Å²	128.7	62%	0.615	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-21.8	-173.3	-58.2	-2.7	0	0	0	112.2	T512 L516	T512-D514 PolarHBondContact O-N 2.84Å; D514-L516 VanDerWaalsContact C-N 3.25Å; D514-L516 PolarHBondContact O-N 2.97Å
515	E	55.5	Low	45.5	Very low	129 Å²	129	129.4 Å²	129.4	60%	0.603	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-17	172.9	-63.9	-170.6	166.1	0	0	112.6	P511 T512	P511-E515 WeakPolarHBondContact CB-OE2 3.48Å; T512-E515 PolarHBondContact O-N 3.36Å
516	L	55.8	Low	46.1	Very low	108 Å²	108	134.4 Å²	134.4	57%	0.565	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-16	-179.4	-85.9	158.7	0	0	0	113.6	D514 L519	D514-L516 VanDerWaalsContact C-N 3.25Å; D514-L516 PolarHBondContact O-N 2.97Å; L516-L519 HydrophobicContact CD2-CD1 4.3Å
517	E	58	Low	46.9	Very low	149 Å²	149	136.7 Å²	136.7	70%	0.696	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-29.1	174.1	-161.3	167.6	-157.9	0	0	111.3	L519 L520	E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 3.39Å; E517-L520 PolarHBondContact O-N 3.28Å
518	L	56.7	Low	47.4	Very low	143 Å²	143	135.2 Å²	135.2	75%	0.749	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-15.5	176.6	-139.7	111.5	0	0	0	114	L520	L518-L520 VanDerWaalsContact C-N 3.33Å
519	L	52	Low	48.2	Very low	142 Å²	142	135.5 Å²	135.5	74%	0.743	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-3.9	173.7	-84.8	166.3	0	0	0	113.3	L516 E517	L516-L519 HydrophobicContact CD2-CD1 4.3Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 3.39Å
520	L	58.3	Low	49.4	Very low	109 Å²	109	133.5 Å²	133.5	57%	0.571	69%	0.693	S	S	*	*	S	Bend	trans	-109.5	1.4	-178.2	-94	144.8	0	0	0	113.3	E517 L518	E517-L520 PolarHBondContact O-N 3.28Å; L518-L520 VanDerWaalsContact C-N 3.33Å
521	A	50.2	Low	50.5	Low	75 Å²	75	134.8 Å²	134.8	62%	0.62	69%	0.686	S	S	*	*	S	Bend	trans	-95.2	134	173.6	0	0	0	0	0	110.2
522	D	46.2	Very low	51.3	Low	163 Å²	163	138 Å²	138	87%	0.872	69%	0.69	S	S	*	*			trans	-55.3	142	-160.7	-63.9	-52.5	0	0	0	116.1	D524	D522-D524 PolarHBondContact O-N 3.04Å
523	E	35.8	Very low	52.6	Low	188 Å²	188	136.7 Å²	136.7	88%	0.879	68%	0.679	S	S	*	*			trans	-67.5	108.2	175.3	-70.7	173.7	147	0	0	110.7
524	D	36.8	Very low	53.1	Low	141 Å²	141	135.6 Å²	135.6	75%	0.754	67%	0.669	S	S	*	*			trans	-151.1	113	152.8	-85.6	-40.2	0	0	0	110.4	D522	D522-D524 PolarHBondContact O-N 3.04Å
525	Q	42.9	Very low	53.9	Low	190 Å²	190	132.4 Å²	132.4	89%	0.888	65%	0.651	S	S	*	*	S	Bend	trans	66.8	44.6	154.5	-53.7	-178.9	-2.2	0	0	119.9
526	K	48.3	Very low	54.4	Low	173 Å²	173	133.3 Å²	133.3	75%	0.752	65%	0.649	S	S	*	*			trans	-130	102.7	168.2	-67.9	178.9	-173	166.5	0	112.5	H528	K526-H528 PolarHBondContact O-CD2 3.28Å; K526-H528 PolarHBondContact O-N 3.48Å
527	E	47.8	Very low	54.8	Low	179 Å²	179	133.8 Å²	133.8	84%	0.836	65%	0.648	S	S	*	*			trans	-60.8	101	165.3	-65.2	178.7	174	0	0	108.9	Y529	E527-Y529 WeakPolarHBondContact O-CD2 3.3Å; E527-Y529 PolarHBondContact O-N 3.42Å
528	H	46.2	Very low	55.2	Low	142 Å²	142	130 Å²	130	66%	0.657	64%	0.643	S	S	*	*			trans	-76.9	113.6	-174.9	-94.2	-86.1	0	0	0	111.5	K526 H530	K526-H528 PolarHBondContact O-CD2 3.28Å; K526-H528 PolarHBondContact O-N 3.48Å; H528-H530 PolarHBondContact O-N 3.43Å
529	Y	51.3	Low	55.6	Low	171 Å²	171	132.8 Å²	132.8	67%	0.671	64%	0.643	S	S	*	*			trans	-63.4	94.8	170.5	-67.2	-97.6	0	0	0	110.8	E527 L531 L534	E527-Y529 WeakPolarHBondContact O-CD2 3.3Å; E527-Y529 PolarHBondContact O-N 3.42Å; Y529-L531 PolarHBondContact O-N 3.29Å; Y529-L531 VanDerWaalsContact O-N 3.1Å; Y529-L534 HydrophobicContact CD1-CD1 4.44Å
530	H	61.5	Low	56	Low	122 Å²	122	132.3 Å²	132.3	57%	0.565	64%	0.637	S	S	*	*			trans	-75.7	98.2	167.7	-76.4	-60	0	0	0	110	H528 K532 N533 L534	H528-H530 PolarHBondContact O-N 3.43Å; H530-K532 PolarHBondContact O-N 3.44Å; H530-N533 HydrophobicContact CB-CB 4.1Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.28Å; H530-L534 PolarHBondContact O-N 3.22Å
531	L	63	Low	55.8	Low	85 Å²	85	132.9 Å²	132.9	45%	0.445	64%	0.639	S	S	.	*	H	α-helix	trans	-49.5	-33.5	174.2	179.7	63.8	0	0	0	112.5	Y529 I535 K583	Y529-L531 PolarHBondContact O-N 3.29Å; Y529-L531 VanDerWaalsContact O-N 3.1Å; L531-I535 HydrophobicContact CD1-CD1 4.15Å; L531-I535 HydrophobicContact CD1-CG1 4.37Å; L531-I535 HydrophobicContact CG-CD1 3.84Å; L531-I535 HydrophobicContact CG-CG1 4.49Å; L531-I535 WeakPolarHBondContact O-CD1 3.42Å; L531-I535 WeakPolarHBondContact O-CG1 3.37Å; L531-I535 PolarHBondContact O-N 3.42Å; L531-K583 HydrophobicContact CD2-CD 4.23Å
532	K	66.2	Low	56.1	Low	161 Å²	161	132.5 Å²	132.5	70%	0.7	64%	0.641	S	S	*	*	H	α-helix	trans	-66.8	-32	176.1	-74.3	-178.3	179.4	173.6	0	113.3	H530 R536	H530-K532 PolarHBondContact O-N 3.44Å; K532-R536 WeakPolarHBondContact O-CB 3.2Å; K532-R536 PolarHBondContact O-N 3.06Å
533	N	69	Low	56.6	Low	69 Å²	69	133.6 Å²	133.6	37%	0.369	64%	0.638	S	S	.	*	H	α-helix	trans	-76.1	-43.9	177.4	-67.9	-9.3	0	0	0	110.6	H530 I535 R536 E537	H530-N533 HydrophobicContact CB-CB 4.1Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.28Å; N533-I535 VanDerWaalsContact C-N 3.34Å; N533-I535 PolarHBondContact O-N 2.91Å; N533-R536 WeakPolarHBondContact O-CB 3.14Å; N533-R536 PolarHBondContact O-N 3.26Å; N533-R536 PolarHBondContact OD1-NH1 3.26Å; N533-E537 PolarHBondContact O-N 3.04Å
534	L	62.6	Low	56.9	Low	94 Å²	94	130.7 Å²	130.7	49%	0.492	63%	0.629	S	S	.	*	H	α-helix	trans	-58.6	-40.5	173.1	-94.8	123	0	0	0	113.1	Y529 H530 R536 A538	Y529-L534 HydrophobicContact CD1-CD1 4.44Å; H530-L534 PolarHBondContact O-N 3.22Å; L534-R536 VanDerWaalsContact C-N 3.3Å; L534-R536 PolarHBondContact O-N 2.99Å; L534-A538 VanDerWaalsContact O-CB 3.31Å; L534-A538 WeakPolarHBondContact O-CB 3.46Å; L534-A538 PolarHBondContact O-N 3.1Å
535	I	67.7	Low	57.2	Low	48 Å²	48	135.5 Å²	135.5	25%	0.246	64%	0.637	C	S	.	*	H	α-helix	trans	-66.7	-34.9	175.6	-68	163.3	0	0	0	111.3	L531 N533 R539 K583	L531-I535 HydrophobicContact CD1-CD1 4.15Å; L531-I535 HydrophobicContact CD1-CG1 4.37Å; L531-I535 HydrophobicContact CG-CD1 3.84Å; L531-I535 HydrophobicContact CG-CG1 4.49Å; L531-I535 WeakPolarHBondContact O-CD1 3.42Å; L531-I535 WeakPolarHBondContact O-CG1 3.37Å; L531-I535 PolarHBondContact O-N 3.42Å; N533-I535 VanDerWaalsContact C-N 3.34Å; N533-I535 PolarHBondContact O-N 2.91Å; I535-R539 WeakPolarHBondContact O-CB 3.34Å; I535-R539 WeakPolarHBondContact O-CG 3.39Å; I535-R539 PolarHBondContact O-N 3.11Å; I535-R539 VanDerWaalsContact O-N 3.14Å; I535-K583 HydrophobicContact CD1-CD 3.81Å
536	R	66.4	Low	57.2	Low	147 Å²	147	133.9 Å²	133.9	56%	0.555	63%	0.634	S	S	*	*	H	α-helix	trans	-72.4	-42	-179.5	-159.7	-178	-73.5	140.1	-7	110.8	K532 N533 L534 R539 Q540	K532-R536 WeakPolarHBondContact O-CB 3.2Å; K532-R536 PolarHBondContact O-N 3.06Å; N533-R536 WeakPolarHBondContact O-CB 3.14Å; N533-R536 PolarHBondContact O-N 3.26Å; N533-R536 PolarHBondContact OD1-NH1 3.26Å; L534-R536 VanDerWaalsContact C-N 3.3Å; L534-R536 PolarHBondContact O-N 2.99Å; R536-R539 PolarHBondContact O-N 2.94Å; R536-Q540 WeakPolarHBondContact O-CG 3.45Å; R536-Q540 PolarHBondContact O-N 2.96Å; R536-Q540 VanDerWaalsContact O-N 3.15Å
537	E	65	Low	56.9	Low	118 Å²	118	133.5 Å²	133.5	55%	0.551	64%	0.635	S	S	*	*	H	α-helix	trans	-64.1	-45.4	173.5	-73.5	169.8	-177.4	0	0	111.7	N533 R539 Q540 M541	N533-E537 PolarHBondContact O-N 3.04Å; E537-R539 VanDerWaalsContact C-N 3.29Å; E537-R539 PolarHBondContact O-N 2.91Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.08Å; E537-M541 WeakPolarHBondContact O-CG 3.36Å; E537-M541 PolarHBondContact O-N 2.7Å
538	A	64.6	Low	56.9	Low	71 Å²	71	129.7 Å²	129.7	59%	0.587	63%	0.634	S	S	*	*	H	α-helix	trans	-61.4	-34.4	177	0	0	0	0	0	113.2	L534	L534-A538 VanDerWaalsContact O-CB 3.31Å; L534-A538 WeakPolarHBondContact O-CB 3.46Å; L534-A538 PolarHBondContact O-N 3.1Å
539	R	65.6	Low	56.9	Low	201 Å²	201	127.9 Å²	127.9	76%	0.758	64%	0.635	S	S	*	*	H	α-helix	trans	-74.5	-27.2	175.2	-77.5	179.2	171.8	-173.6	-2.4	113.3	I535 R536 E537	I535-R539 WeakPolarHBondContact O-CB 3.34Å; I535-R539 WeakPolarHBondContact O-CG 3.39Å; I535-R539 PolarHBondContact O-N 3.11Å; I535-R539 VanDerWaalsContact O-N 3.14Å; R536-R539 PolarHBondContact O-N 2.94Å; E537-R539 VanDerWaalsContact C-N 3.29Å; E537-R539 PolarHBondContact O-N 2.91Å
540	Q	60.9	Low	56.7	Low	132 Å²	132	124 Å²	124	62%	0.617	63%	0.632	S	S	*	*	H	α-helix	trans	-78.8	-35.9	177.6	-74.8	178.8	1.7	0	0	112.2	R536 E537 G542 K543	R536-Q540 WeakPolarHBondContact O-CG 3.45Å; R536-Q540 PolarHBondContact O-N 2.96Å; R536-Q540 VanDerWaalsContact O-N 3.15Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.08Å; Q540-G542 PolarHBondContact O-N 2.81Å; Q540-G542 VanDerWaalsContact O-N 3.15Å; Q540-K543 PolarHBondContact O-N 2.99Å
541	M	54.8	Low	56.3	Low	121 Å²	121	126.6 Å²	126.6	60%	0.596	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-15.5	176.4	-65.7	-64.5	-101.8	0	0	113.9	E537 K543	E537-M541 WeakPolarHBondContact O-CG 3.36Å; E537-M541 PolarHBondContact O-N 2.7Å; M541-K543 VanDerWaalsContact C-N 3.33Å; M541-K543 PolarHBondContact O-N 3.4Å
542	G	55.5	Low	55.6	Low	66 Å²	66	130.9 Å²	130.9	68%	0.68	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-10.3	175.5	0	0	0	0	0	115.4	Q540	Q540-G542 PolarHBondContact O-N 2.81Å; Q540-G542 VanDerWaalsContact O-N 3.15Å
543	K	55.9	Low	54.9	Low	186 Å²	186	128.1 Å²	128.1	81%	0.809	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-19.2	-173.9	-75.9	-178.8	174.3	-178.4	0	115.4	Q540 M541	Q540-K543 PolarHBondContact O-N 2.99Å; M541-K543 VanDerWaalsContact C-N 3.33Å; M541-K543 PolarHBondContact O-N 3.4Å
544	N	42.7	Very low	54.4	Low	127 Å²	127	132.9 Å²	132.9	68%	0.679	68%	0.684	S	S	*	*			trans	-121.3	106.5	179.8	-72.1	-7.7	0	0	0	110.2	N546	N544-N546 VanDerWaalsContact C-N 3.31Å; N544-N546 PolarHBondContact O-N 2.75Å
545	R	42.7	Very low	54.5	Low	243 Å²	243	136 Å²	136	92%	0.917	69%	0.694	S	S	*	*			trans	-82.8	12.6	-173.8	-69	-179.8	87.6	171.1	5.3	115.2
546	N	44.3	Very low	55	Low	155 Å²	155	142.3 Å²	142.3	83%	0.829	72%	0.719	S	S	*	*			trans	-131.6	28.6	-165.4	-75.4	-4.7	0	0	0	116.6	N544	N544-N546 VanDerWaalsContact C-N 3.31Å; N544-N546 PolarHBondContact O-N 2.75Å
547	E	41.5	Very low	55.5	Low	166 Å²	166	137.6 Å²	137.6	78%	0.776	70%	0.704	S	S	*	*			trans	-132.1	125.8	169.3	-77	179.1	164.3	0	0	111.2
548	A	47.8	Very low	56.5	Low	99 Å²	99	138 Å²	138	82%	0.818	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-68.1	138.1	-179.6	0	0	0	0	0	110.6	S550	A548-S550 PolarHBondContact O-N 3.47Å
549	P	45.8	Very low	57.4	Low	104 Å²	104	135.9 Å²	135.9	68%	0.675	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-75.6	127.5	-175.4	28.6	-29.3	0	0	0	111.1
550	S	46.5	Very low	58.3	Low	88 Å²	88	131.1 Å²	131.1	62%	0.615	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-50.2	140.1	168.7	178.4	0	0	0	0	111.4	A548 E552	A548-S550 PolarHBondContact O-N 3.47Å; S550-E552 PolarHBondContact O-N 3.31Å
551	E	53.5	Low	59.6	Low	177 Å²	177	126.7 Å²	126.7	83%	0.827	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	4.9	-167.9	-63.8	-175.8	154.7	0	0	115.3
552	E	48.5	Very low	61.2	Low	175 Å²	175	130 Å²	130	82%	0.818	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	0.1	-164.4	-64	178.5	166.6	0	0	115.1	S550 Q554	S550-E552 PolarHBondContact O-N 3.31Å; E552-Q554 PolarHBondContact O-N 3.21Å
553	S	51.9	Low	62.6	Low	104 Å²	104	136.3 Å²	136.3	73%	0.727	68%	0.681	S	S	*	*			trans	-99.6	51.9	-178.1	-72.7	0	0	0	0	114.7
554	Q	58.6	Low	64	Low	169 Å²	169	131.4 Å²	131.4	79%	0.79	66%	0.66	S	S	*	*			trans	-93.5	32.1	178.9	-67.7	-168.8	4.1	0	0	115.2	E552 K556	E552-Q554 PolarHBondContact O-N 3.21Å; Q554-K556 PolarHBondContact O-N 3.22Å; Q554-K556 VanDerWaalsContact O-N 3.13Å
555	F	65.3	Low	66.1	Low	158 Å²	158	128.7 Å²	128.7	69%	0.693	65%	0.645	S	S	*	*			trans	-74.1	106.3	171.4	-174.7	-95.5	0	0	0	110.9	M557	F555-M557 HydrophobicContact CE1-CB 4.3Å
556	K	76.9	Confident	68.3	Low	181 Å²	181	119 Å²	119	79%	0.787	62%	0.617	S	S	*	*			trans	-99.9	119.1	171.6	-70.7	-179.8	-178.1	174.8	0	109.6	Q554	Q554-K556 PolarHBondContact O-N 3.22Å; Q554-K556 VanDerWaalsContact O-N 3.13Å
557	M	77	Confident	70.5	Confident	49 Å²	49	112.9 Å²	112.9	24%	0.241	59%	0.585	C	S	.	*			trans	-72.5	128.6	178.5	-162.6	-170.8	121.8	0	0	110.8	F555 V559 L591	F555-M557 HydrophobicContact CE1-CB 4.3Å; M557-V559 PolarHBondContact O-N 3.04Å; M557-L591 HydrophobicContact CE-CD1 3.6Å; M557-L591 HydrophobicContact CE-CD2 3.25Å; M557-L591 HydrophobicContact CE-CG 3.28Å; M557-L591 HydrophobicContact SD-CD1 4.11Å; M557-L591 HydrophobicContact SD-CG 4.02Å
558	N	85.1	Confident	72.8	Confident	125 Å²	125	105.8 Å²	105.8	67%	0.668	55%	0.551	S	S	*	*			trans	-75.9	91.6	176.7	-74.1	-22.7	0	0	0	110.9	C560 D561	N558-C560 PolarHBondContact O-N 2.67Å; N558-C560 VanDerWaalsContact O-N 3.16Å; N558-D561 PolarHBondContact O-N 3.2Å
559	V	85.3	Confident	74.6	Confident	28 Å²	28	105.5 Å²	105.5	17%	0.17	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.6	179.7	172.1	0	0	0	0	113.8	M557 Y568 A590 E594	M557-V559 PolarHBondContact O-N 3.04Å; V559-Y568 WeakPolarHBondContact CG1-OH 2.81Å; V559-Y568 PolarHBondContact O-OH 3.01Å; V559-A590 HydrophobicContact CG2-CB 4.06Å; V559-E594 HydrophobicContact CG1-CB 3.25Å; V559-E594 HydrophobicContact CG1-CG 3.16Å
560	C	83.6	Confident	76.6	Confident	100 Å²	100	102 Å²	102	68%	0.676	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	12.2	-177.3	-58.3	0	0	0	0	114.5	N558	N558-C560 PolarHBondContact O-N 2.67Å; N558-C560 VanDerWaalsContact O-N 3.16Å
561	D	88.7	Confident	78.6	Confident	40 Å²	40	104.8 Å²	104.8	21%	0.214	52%	0.52	C	S	.	.			trans	-71.1	129.2	177.9	-175.3	-16.3	0	0	0	110.9	N558 R563 F564	N558-D561 PolarHBondContact O-N 3.2Å; D561-R563 PolarHBondContact O-N 3.1Å; D561-R563 VanDerWaalsContact O-N 3.17Å; D561-R563 PolarHBondContact OD1-N 3.16Å; D561-R563 IonicContact OD1-NE 3.85Å; D561-R563 PolarHBondContact OD1-NE 3.15Å; D561-R563 IonicContact OD2-CZ 2.82Å; D561-R563 IonicContact OD2-NE 3.3Å; D561-R563 PolarHBondContact OD2-NE 2.91Å; D561-R563 IonicContact OD2-NH2 3.64Å; D561-R563 PolarHBondContact OD2-NH2 3.48Å; D561-F564 HydrophobicContact CB-CD2 3.92Å; D561-F564 HydrophobicContact CB-CE2 4.3Å; D561-F564 PolarHBondContact O-N 3.05Å; D561-F564 VanDerWaalsContact O-N 3.1Å
562	K	88.4	Confident	80.2	Confident	191 Å²	191	102.8 Å²	102.8	83%	0.83	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-57.9	-28.4	-179.4	-64.7	-175.9	179.1	-179.7	0	112.8	F564 D565	K562-F564 PolarHBondContact O-N 3.22Å; K562-D565 WeakPolarHBondContact O-CB 3.46Å; K562-D565 PolarHBondContact O-N 2.92Å
563	R	85	Confident	82.1	Confident	197 Å²	197	100.4 Å²	100.4	74%	0.743	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.3	179.1	-66.8	-179.1	-68	173.9	0.8	113.1	D561	D561-R563 PolarHBondContact O-N 3.1Å; D561-R563 VanDerWaalsContact O-N 3.17Å; D561-R563 PolarHBondContact OD1-N 3.16Å; D561-R563 IonicContact OD1-NE 3.85Å; D561-R563 PolarHBondContact OD1-NE 3.15Å; D561-R563 IonicContact OD2-CZ 2.82Å; D561-R563 IonicContact OD2-NE 3.3Å; D561-R563 PolarHBondContact OD2-NE 2.91Å; D561-R563 IonicContact OD2-NH2 3.64Å; D561-R563 PolarHBondContact OD2-NH2 3.48Å
564	F	84.9	Confident	83.8	Confident	83 Å²	83	99 Å²	99	36%	0.364	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-104.5	8.5	-180	-56.7	-62.6	0	0	0	113.3	D561 K562 A566 I567	D561-F564 HydrophobicContact CB-CD2 3.92Å; D561-F564 HydrophobicContact CB-CE2 4.3Å; D561-F564 PolarHBondContact O-N 3.05Å; D561-F564 VanDerWaalsContact O-N 3.1Å; K562-F564 PolarHBondContact O-N 3.22Å; F564-A566 PolarHBondContact O-N 3.04Å; F564-I567 HydrophobicContact CB-CD1 3.98Å; F564-I567 HydrophobicContact CD1-CD1 4.15Å; F564-I567 HydrophobicContact CG-CD1 4.44Å; F564-I567 WeakPolarHBondContact O-CB 3.32Å; F564-I567 WeakPolarHBondContact O-CG1 3.46Å; F564-I567 PolarHBondContact O-N 3.36Å
565	D	87.8	Confident	85.2	Confident	70 Å²	70	93 Å²	93	37%	0.374	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.7	-175	-153.2	38.9	0	0	0	112.9	K562 I567 Y568 T569 R598	K562-D565 WeakPolarHBondContact O-CB 3.46Å; K562-D565 PolarHBondContact O-N 2.92Å; D565-I567 PolarHBondContact O-N 3.17Å; D565-Y568 PolarHBondContact O-N 2.9Å; D565-Y568 VanDerWaalsContact O-N 3.15Å; D565-T569 PolarHBondContact O-N 2.71Å; D565-T569 PolarHBondContact O-OG1 2.64Å; D565-R598 IonicContact OD1-CZ 3.04Å; D565-R598 IonicContact OD1-NH1 2.97Å; D565-R598 PolarHBondContact OD1-NH1 3.38Å; D565-R598 IonicContact OD1-NH2 3.14Å
566	A	88.8	Confident	86.3	Confident	40 Å²	40	89.2 Å²	89.2	33%	0.331	45%	0.446	S	S	.	.	H	α-helix	trans	-59.9	-31.2	173.1	0	0	0	0	0	112.9	F564 Y568 T569 S570 F573	F564-A566 PolarHBondContact O-N 3.04Å; A566-Y568 PolarHBondContact O-N 3.16Å; A566-T569 PolarHBondContact O-N 2.76Å; A566-S570 PolarHBondContact O-N 3.47Å; A566-F573 HydrophobicContact CB-CD2 3.67Å; A566-F573 HydrophobicContact CB-CE2 4.02Å; A566-F573 HydrophobicContact CB-CG 4.19Å
567	I	89.8	Confident	86.9	Confident	27 Å²	27	84.4 Å²	84.4	14%	0.138	43%	0.433	C	S	.	.	H	α-helix	trans	-64.3	-27.6	178.5	-58	178.6	0	0	0	111.6	F564 D565 F573 I575 L591	F564-I567 HydrophobicContact CB-CD1 3.98Å; F564-I567 HydrophobicContact CD1-CD1 4.15Å; F564-I567 HydrophobicContact CG-CD1 4.44Å; F564-I567 WeakPolarHBondContact O-CB 3.32Å; F564-I567 WeakPolarHBondContact O-CG1 3.46Å; F564-I567 PolarHBondContact O-N 3.36Å; D565-I567 PolarHBondContact O-N 3.17Å; I567-F573 HydrophobicContact CG1-CB 4.46Å; I567-I575 HydrophobicContact CG2-CD1 3.99Å; I567-I575 HydrophobicContact CG2-CG1 4.15Å; I567-L591 HydrophobicContact CD1-CD1 4.13Å; I567-L591 HydrophobicContact CD1-CD2 4.46Å
568	Y	89.1	Confident	87.5	Confident	16 Å²	16	86.8 Å²	86.8	6%	0.063	45%	0.454	C	S	.	.	H	α-helix	trans	-96.9	-16.6	-179.4	-51.1	-67.3	0	0	0	113.5	V559 D565 A566 L591 E594 K595	V559-Y568 WeakPolarHBondContact CG1-OH 2.81Å; V559-Y568 PolarHBondContact O-OH 3.01Å; D565-Y568 PolarHBondContact O-N 2.9Å; D565-Y568 VanDerWaalsContact O-N 3.15Å; A566-Y568 PolarHBondContact O-N 3.16Å; Y568-L591 WeakPolarHBondContact OH-CD2 3.45Å; Y568-E594 HydrophobicContact CE1-CB 4.05Å; Y568-E594 HydrophobicContact CE1-CG 3.86Å; Y568-K595 HydrophobicContact CD1-CB 3.86Å; Y568-K595 HydrophobicContact CD1-CG 4.23Å; Y568-K595 HydrophobicContact CE1-CB 4Å
569	T	86.1	Confident	87.6	Confident	94 Å²	94	84.5 Å²	84.5	58%	0.577	44%	0.442	S	S	*	.	H	α-helix	trans	-110.5	-39.8	-170.3	-47.6	0	0	0	0	112.5	D565 A566	D565-T569 PolarHBondContact O-N 2.71Å; D565-T569 PolarHBondContact O-OG1 2.64Å; A566-T569 PolarHBondContact O-N 2.76Å
570	S	88.4	Confident	87.7	Confident	30 Å²	30	89.5 Å²	89.5	21%	0.21	48%	0.475	C	S	.	.			trans	-106.2	137.3	-175.8	169.5	0	0	0	0	111.3	A566 L572 F573 N574	A566-S570 PolarHBondContact O-N 3.47Å; S570-L572 PolarHBondContact O-N 3.25Å; S570-L572 PolarHBondContact OG-N 3.25Å; S570-F573 PolarHBondContact O-N 3.48Å; S570-N574 PolarHBondContact O-OD1 3.33Å
571	H	88.9	Confident	87.8	Confident	147 Å²	147	89.2 Å²	89.2	68%	0.681	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-66.9	-25.5	176.1	56.4	-76.9	0	0	0	112.6	F573 N574	H571-F573 VanDerWaalsContact C-N 3.26Å; H571-F573 PolarHBondContact O-N 3.13Å; H571-N574 WeakPolarHBondContact O-CB 3.32Å; H571-N574 PolarHBondContact O-N 3.5Å
572	L	86.7	Confident	87.8	Confident	135 Å²	135	89.6 Å²	89.6	71%	0.707	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-67.9	-23	-179.9	-61.1	173.4	0	0	0	113.3	S570	S570-L572 PolarHBondContact O-N 3.25Å; S570-L572 PolarHBondContact OG-N 3.25Å
573	F	87.7	Confident	87.7	Confident	124 Å²	124	85.4 Å²	85.4	54%	0.544	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-109.8	20.3	-179.3	-55.9	-78.3	0	0	0	112.4	A566 I567 S570 H571 I575	A566-F573 HydrophobicContact CB-CD2 3.67Å; A566-F573 HydrophobicContact CB-CE2 4.02Å; A566-F573 HydrophobicContact CB-CG 4.19Å; I567-F573 HydrophobicContact CG1-CB 4.46Å; S570-F573 PolarHBondContact O-N 3.48Å; H571-F573 VanDerWaalsContact C-N 3.26Å; H571-F573 PolarHBondContact O-N 3.13Å; F573-I575 PolarHBondContact O-N 3.05Å
574	N	87.9	Confident	87.7	Confident	76 Å²	76	84 Å²	84	41%	0.406	46%	0.455	S	S	.	.			trans	-69.7	125.3	179.3	-81.6	-14.5	0	0	0	111.1	S570 H571 D576 K595	S570-N574 PolarHBondContact O-OD1 3.33Å; H571-N574 WeakPolarHBondContact O-CB 3.32Å; H571-N574 PolarHBondContact O-N 3.5Å; N574-D576 PolarHBondContact O-N 2.81Å; N574-D576 VanDerWaalsContact O-N 3.13Å; N574-K595 PolarHBondContact OD1-NZ 3.02Å
575	I	88.4	Confident	87.8	Confident	41 Å²	41	82.6 Å²	82.6	21%	0.21	45%	0.453	C	S	.	.			trans	-70	108.1	171.6	-59.8	169.5	0	0	0	108.2	I567 F573 P577 F582 L591 L592	I567-I575 HydrophobicContact CG2-CD1 3.99Å; I567-I575 HydrophobicContact CG2-CG1 4.15Å; F573-I575 PolarHBondContact O-N 3.05Å; I575-P577 WeakPolarHBondContact O-CD 3.36Å; I575-F582 HydrophobicContact CG2-CD2 3.82Å; I575-F582 HydrophobicContact CG2-CE2 3.57Å; I575-L591 HydrophobicContact CD1-CB 3.94Å; I575-L591 HydrophobicContact CD1-CD1 3.66Å; I575-L591 HydrophobicContact CD1-CG 4.45Å; I575-L592 HydrophobicContact CB-CD2 4.46Å; I575-L592 HydrophobicContact CG2-CD1 4.44Å; I575-L592 HydrophobicContact CG2-CD2 4.43Å; I575-L592 HydrophobicContact CG2-CG 4.48Å
576	D	88.7	Confident	87.8	Confident	79 Å²	79	87.4 Å²	87.4	42%	0.422	47%	0.471	S	S	.	.			trans	-92.3	112.9	178.5	-173	-1.7	0	0	0	110.9	N574 S578 D579	N574-D576 PolarHBondContact O-N 2.81Å; N574-D576 VanDerWaalsContact O-N 3.13Å; D576-S578 PolarHBondContact O-N 3.16Å; D576-S578 VanDerWaalsContact OD1-CB 3.3Å; D576-S578 WeakPolarHBondContact OD1-CB 3.08Å; D576-S578 PolarHBondContact OD1-N 3.09Å; D576-S578 PolarHBondContact OD1-OG 3.33Å; D576-D579 HydrophobicContact CB-CB 4.35Å; D576-D579 PolarHBondContact O-N 2.68Å
577	P	88.9	Confident	87.7	Confident	81 Å²	81	86.3 Å²	86.3	53%	0.526	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.3	174.6	-20.4	34.4	0	0	0	114.6	I575 F582	I575-P577 WeakPolarHBondContact O-CD 3.36Å; P577-F582 HydrophobicContact CB-CD1 4.36Å; P577-F582 HydrophobicContact CB-CE1 4.18Å; P577-F582 HydrophobicContact CB-CZ 4.47Å
578	S	88.2	Confident	87.6	Confident	98 Å²	98	86.5 Å²	86.5	69%	0.685	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-17	179.4	-12.3	0	0	0	0	113.3	D576	D576-S578 PolarHBondContact O-N 3.16Å; D576-S578 VanDerWaalsContact OD1-CB 3.3Å; D576-S578 WeakPolarHBondContact OD1-CB 3.08Å; D576-S578 PolarHBondContact OD1-N 3.09Å; D576-S578 PolarHBondContact OD1-OG 3.33Å
579	D	88.3	Confident	87.6	Confident	77 Å²	77	90.8 Å²	90.8	41%	0.412	49%	0.487	S	S	.	.	S	Bend	trans	-68.5	129.9	179.8	-171	-42.1	0	0	0	110.2	D576 S581 F582	D576-D579 HydrophobicContact CB-CB 4.35Å; D576-D579 PolarHBondContact O-N 2.68Å; D579-S581 PolarHBondContact O-N 2.64Å; D579-S581 WeakPolarHBondContact OD1-CB 3.44Å; D579-S581 PolarHBondContact OD1-N 3.32Å; D579-S581 PolarHBondContact OD1-OG 2.8Å; D579-F582 WeakPolarHBondContact O-CB 3.21Å; D579-F582 PolarHBondContact O-N 2.99Å
580	P	87.9	Confident	87.8	Confident	134 Å²	134	87.8 Å²	87.8	87%	0.87	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.9	175.7	-26.1	34.1	0	0	0	114.6	F582	P580-F582 VanDerWaalsContact C-N 3.31Å
581	S	85.5	Confident	87.9	Confident	94 Å²	94	87 Å²	87	66%	0.657	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12	177.8	-49.4	0	0	0	0	113	D579 K583	D579-S581 PolarHBondContact O-N 2.64Å; D579-S581 WeakPolarHBondContact OD1-CB 3.44Å; D579-S581 PolarHBondContact OD1-N 3.32Å; D579-S581 PolarHBondContact OD1-OG 2.8Å; S581-K583 PolarHBondContact O-N 3.04Å
582	F	88.6	Confident	87.9	Confident	47 Å²	47	81.8 Å²	81.8	21%	0.206	44%	0.442	C	S	.	.			trans	-66	126.1	-178.8	177.6	-106.8	0	0	0	111.7	I575 P577 D579 P580 K584 L592	I575-F582 HydrophobicContact CG2-CD2 3.82Å; I575-F582 HydrophobicContact CG2-CE2 3.57Å; P577-F582 HydrophobicContact CB-CD1 4.36Å; P577-F582 HydrophobicContact CB-CE1 4.18Å; P577-F582 HydrophobicContact CB-CZ 4.47Å; D579-F582 WeakPolarHBondContact O-CB 3.21Å; D579-F582 PolarHBondContact O-N 2.99Å; P580-F582 VanDerWaalsContact C-N 3.31Å; F582-K584 HydrophobicContact CD1-CG 4.32Å; F582-K584 HydrophobicContact CE1-CD 4.42Å; F582-K584 HydrophobicContact CE1-CG 3.49Å; F582-K584 VanDerWaalsContact CE1-CG 3.49Å; F582-K584 HydrophobicContact CZ-CG 4.07Å; F582-L592 HydrophobicContact CE2-CD1 4.1Å; F582-L592 HydrophobicContact CZ-CD1 3.95Å
583	K	85.2	Confident	88.1	Confident	103 Å²	103	82.2 Å²	82.2	45%	0.448	44%	0.44	S	S	.	.			trans	-120.9	121	177.9	-68.5	177	-179.9	172.1	0	110.2	L531 I535 S581 T585 T588	L531-K583 HydrophobicContact CD2-CD 4.23Å; I535-K583 HydrophobicContact CD1-CD 3.81Å; S581-K583 PolarHBondContact O-N 3.04Å; K583-T585 HydrophobicContact CB-CG2 4.46Å; K583-T585 PolarHBondContact O-N 3.38Å; K583-T588 PolarHBondContact O-OG1 2.86Å
584	K	86.3	Confident	88.2	Confident	168 Å²	168	77.3 Å²	77.3	73%	0.73	42%	0.419	S	S	*	.			trans	-70.2	97	175.1	-65.2	-178.5	-178.4	179.1	0	110.2	F582	F582-K584 HydrophobicContact CD1-CG 4.32Å; F582-K584 HydrophobicContact CE1-CD 4.42Å; F582-K584 HydrophobicContact CE1-CG 3.49Å; F582-K584 VanDerWaalsContact CE1-CG 3.49Å; F582-K584 HydrophobicContact CZ-CG 4.07Å
585	T	87	Confident	88.3	Confident	53 Å²	53	76.4 Å²	76.4	33%	0.325	41%	0.412	S	S	.	.			trans	-114.5	156.9	172.5	68.1	0	0	0	0	110.3	K583 G587 T588 E589	K583-T585 HydrophobicContact CB-CG2 4.46Å; K583-T585 PolarHBondContact O-N 3.38Å; T585-G587 PolarHBondContact O-N 3.14Å; T585-G587 VanDerWaalsContact O-N 3.16Å; T585-T588 PolarHBondContact N-OG1 3.37Å; T585-T588 PolarHBondContact O-N 3.15Å; T585-T588 VanDerWaalsContact O-N 3.16Å; T585-T588 PolarHBondContact O-OG1 3.07Å; T585-T588 WeakPolarHBondContact OG1-CG2 3.35Å; T585-T588 PolarHBondContact OG1-N 3.31Å; T585-T588 PolarHBondContact OG1-OG1 3.21Å; T585-E589 WeakPolarHBondContact O-CG 3.5Å; T585-E589 PolarHBondContact O-N 2.97Å
586	K	86.8	Confident	88.3	Confident	171 Å²	171	83.2 Å²	83.2	74%	0.743	44%	0.435	S	S	*	.	H	α-helix	trans	-54.9	-34.6	176.2	-69.1	-177	178.4	177.1	0	112.7	A590	K586-A590 PolarHBondContact O-N 2.66Å; K586-A590 VanDerWaalsContact O-N 3.15Å
587	G	87.9	Confident	88.3	Confident	17 Å²	17	84.8 Å²	84.8	18%	0.175	44%	0.435	C	S	.	.	H	α-helix	trans	-71.4	-43.4	177.4	0	0	0	0	0	113.5	T585 E589 A590 L591	T585-G587 PolarHBondContact O-N 3.14Å; T585-G587 VanDerWaalsContact O-N 3.16Å; G587-E589 VanDerWaalsContact C-N 3.33Å; G587-E589 PolarHBondContact O-N 3.23Å; G587-A590 PolarHBondContact O-N 2.94Å; G587-L591 PolarHBondContact O-N 3.38Å; G587-L591 VanDerWaalsContact O-N 3.08Å
588	T	88.1	Confident	88.3	Confident	32 Å²	32	84 Å²	84	20%	0.196	42%	0.421	C	S	.	.	H	α-helix	trans	-66.6	-35.1	176.4	50.2	0	0	0	0	112.2	K583 T585 L591 L592	K583-T588 PolarHBondContact O-OG1 2.86Å; T585-T588 PolarHBondContact N-OG1 3.37Å; T585-T588 PolarHBondContact O-N 3.15Å; T585-T588 VanDerWaalsContact O-N 3.16Å; T585-T588 PolarHBondContact O-OG1 3.07Å; T585-T588 WeakPolarHBondContact OG1-CG2 3.35Å; T585-T588 PolarHBondContact OG1-N 3.31Å; T585-T588 PolarHBondContact OG1-OG1 3.21Å; T588-L591 PolarHBondContact O-N 3.47Å; T588-L592 WeakPolarHBondContact O-CG 3.15Å; T588-L592 PolarHBondContact O-N 3.28Å
589	E	88.8	Confident	88	Confident	105 Å²	105	81.7 Å²	81.7	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-43.5	174.3	-73.1	178.1	168.3	0	0	111.2	T585 G587 L591 L592 E593	T585-E589 WeakPolarHBondContact O-CG 3.5Å; T585-E589 PolarHBondContact O-N 2.97Å; G587-E589 VanDerWaalsContact C-N 3.33Å; G587-E589 PolarHBondContact O-N 3.23Å; E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 2.74Å; E589-L592 PolarHBondContact O-N 3.22Å; E589-E593 WeakPolarHBondContact O-CB 3.43Å; E589-E593 PolarHBondContact O-N 3.38Å
590	A	90.2	Very high	87.9	Confident	32 Å²	32	85 Å²	85	26%	0.264	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-38.3	175.2	0	0	0	0	0	113	V559 K586 G587 E594	V559-A590 HydrophobicContact CG2-CB 4.06Å; K586-A590 PolarHBondContact O-N 2.66Å; K586-A590 VanDerWaalsContact O-N 3.15Å; G587-A590 PolarHBondContact O-N 2.94Å; A590-E594 WeakPolarHBondContact O-CB 3.38Å; A590-E594 PolarHBondContact O-N 3.4Å
591	L	90.1	Very high	87.6	Confident	14 Å²	14	85.2 Å²	85.2	7%	0.073	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-45.6	173.4	-78.8	174.4	0	0	0	112.6	M557 I567 Y568 I575 G587 T588 E589 E593 E594 K595	M557-L591 HydrophobicContact CE-CD1 3.6Å; M557-L591 HydrophobicContact CE-CD2 3.25Å; M557-L591 HydrophobicContact CE-CG 3.28Å; M557-L591 HydrophobicContact SD-CD1 4.11Å; M557-L591 HydrophobicContact SD-CG 4.02Å; I567-L591 HydrophobicContact CD1-CD1 4.13Å; I567-L591 HydrophobicContact CD1-CD2 4.46Å; Y568-L591 WeakPolarHBondContact OH-CD2 3.45Å; I575-L591 HydrophobicContact CD1-CB 3.94Å; I575-L591 HydrophobicContact CD1-CD1 3.66Å; I575-L591 HydrophobicContact CD1-CG 4.45Å; G587-L591 PolarHBondContact O-N 3.38Å; G587-L591 VanDerWaalsContact O-N 3.08Å; T588-L591 PolarHBondContact O-N 3.47Å; E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 2.74Å; L591-E593 VanDerWaalsContact C-N 3.34Å; L591-E594 PolarHBondContact O-N 3.44Å; L591-K595 WeakPolarHBondContact O-CB 3.46Å; L591-K595 PolarHBondContact O-N 3.31Å
592	L	89.4	Confident	87.2	Confident	36 Å²	36	88 Å²	88	19%	0.188	40%	0.398	C	S	.	.	H	α-helix	trans	-65	-39.6	178.8	-78.7	160.7	0	0	0	111.3	I575 F582 T588 E589 K595 R596	I575-L592 HydrophobicContact CB-CD2 4.46Å; I575-L592 HydrophobicContact CG2-CD1 4.44Å; I575-L592 HydrophobicContact CG2-CD2 4.43Å; I575-L592 HydrophobicContact CG2-CG 4.48Å; F582-L592 HydrophobicContact CE2-CD1 4.1Å; F582-L592 HydrophobicContact CZ-CD1 3.95Å; T588-L592 WeakPolarHBondContact O-CG 3.15Å; T588-L592 PolarHBondContact O-N 3.28Å; E589-L592 PolarHBondContact O-N 3.22Å; L592-K595 PolarHBondContact O-N 3.28Å; L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.44Å
593	E	89.8	Confident	86.5	Confident	144 Å²	144	91.1 Å²	91.1	67%	0.673	42%	0.417	S	S	*	.	H	α-helix	trans	-66.8	-42.8	176.7	-169.7	166.5	-155.2	0	0	111.9	E589 L591 K595 R596 R597	E589-E593 WeakPolarHBondContact O-CB 3.43Å; E589-E593 PolarHBondContact O-N 3.38Å; L591-E593 VanDerWaalsContact C-N 3.34Å; E593-K595 PolarHBondContact O-N 3.06Å; E593-R596 WeakPolarHBondContact O-CB 3.48Å; E593-R596 PolarHBondContact O-N 3.48Å; E593-R597 WeakPolarHBondContact O-CB 3.28Å; E593-R597 PolarHBondContact O-N 3.35Å
594	E	90.5	Very high	85.7	Confident	21 Å²	21	90.7 Å²	90.7	10%	0.098	42%	0.42	C	S	.	.	H	α-helix	trans	-63	-42.1	173.3	-179	70.1	-179.2	0	0	112.2	V559 Y568 A590 L591 R596 R597 R598	V559-E594 HydrophobicContact CG1-CB 3.25Å; V559-E594 HydrophobicContact CG1-CG 3.16Å; Y568-E594 HydrophobicContact CE1-CB 4.05Å; Y568-E594 HydrophobicContact CE1-CG 3.86Å; A590-E594 WeakPolarHBondContact O-CB 3.38Å; A590-E594 PolarHBondContact O-N 3.4Å; L591-E594 PolarHBondContact O-N 3.44Å; E594-R596 VanDerWaalsContact C-N 3.31Å; E594-R596 PolarHBondContact O-N 3.22Å; E594-R597 VanDerWaalsContact CD-NH2 3.26Å; E594-R597 CarbonylContact O-C 3.56Å; E594-R597 WeakPolarHBondContact O-CA 3Å; E594-R597 WeakPolarHBondContact O-CB 3.49Å; E594-R597 PolarHBondContact O-N 2.86Å; E594-R597 VanDerWaalsContact O-N 3.09Å; E594-R597 IonicContact OE1-CZ 3.63Å; E594-R597 IonicContact OE1-NE 2.75Å; E594-R597 IonicContact OE1-NH2 3.59Å; E594-R597 PolarHBondContact OE1-NH2 3.05Å; E594-R597 IonicContact OE2-CZ 3.13Å; E594-R597 IonicContact OE2-NE 2.63Å; E594-R597 PolarHBondContact OE2-NE 3.04Å; E594-R597 IonicContact OE2-NH2 3.98Å; E594-R597 PolarHBondContact OE2-NH2 3.38Å; E594-R598 HydrophobicContact CG-CG 4.32Å; E594-R598 WeakPolarHBondContact O-CG 3.41Å; E594-R598 PolarHBondContact O-N 3.42Å; E594-R598 IonicContact OE1-NE 3.89Å; E594-R598 PolarHBondContact OE1-NE 2.99Å
595	K	90.1	Very high	84.6	Confident	57 Å²	57	88 Å²	88	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-60.4	-43	177	-175.1	173.7	174.1	177.2	0	111	Y568 N574 L591 L592 E593 R597 R598 A599	Y568-K595 HydrophobicContact CD1-CB 3.86Å; Y568-K595 HydrophobicContact CD1-CG 4.23Å; Y568-K595 HydrophobicContact CE1-CB 4Å; N574-K595 PolarHBondContact OD1-NZ 3.02Å; L591-K595 WeakPolarHBondContact O-CB 3.46Å; L591-K595 PolarHBondContact O-N 3.31Å; L592-K595 PolarHBondContact O-N 3.28Å; E593-K595 PolarHBondContact O-N 3.06Å; K595-R597 VanDerWaalsContact C-N 3.33Å; K595-R597 PolarHBondContact O-N 3.25Å; K595-R598 PolarHBondContact O-N 2.96Å; K595-A599 WeakPolarHBondContact O-CB 3.5Å; K595-A599 PolarHBondContact O-N 3.04Å
596	R	87.8	Confident	83.2	Confident	185 Å²	185	93.1 Å²	93.1	70%	0.698	43%	0.433	S	S	*	.	H	α-helix	trans	-61.3	-40.8	172.4	-73.1	174.1	179.5	-171.2	-0.4	111.7	L592 E593 E594 A599 K600	L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.44Å; E593-R596 WeakPolarHBondContact O-CB 3.48Å; E593-R596 PolarHBondContact O-N 3.48Å; E594-R596 VanDerWaalsContact C-N 3.31Å; E594-R596 PolarHBondContact O-N 3.22Å; R596-A599 PolarHBondContact O-N 2.72Å; R596-K600 WeakPolarHBondContact O-CG 3.49Å; R596-K600 PolarHBondContact O-N 3.12Å
597	R	88.9	Confident	81.7	Confident	111 Å²	111	91.7 Å²	91.7	42%	0.419	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.5	-168.1	-178.8	73.8	136.3	3.5	112.3	E593 E594 K595 R601	E593-R597 WeakPolarHBondContact O-CB 3.28Å; E593-R597 PolarHBondContact O-N 3.35Å; E594-R597 VanDerWaalsContact CD-NH2 3.26Å; E594-R597 CarbonylContact O-C 3.56Å; E594-R597 WeakPolarHBondContact O-CA 3Å; E594-R597 WeakPolarHBondContact O-CB 3.49Å; E594-R597 PolarHBondContact O-N 2.86Å; E594-R597 VanDerWaalsContact O-N 3.09Å; E594-R597 IonicContact OE1-CZ 3.63Å; E594-R597 IonicContact OE1-NE 2.75Å; E594-R597 IonicContact OE1-NH2 3.59Å; E594-R597 PolarHBondContact OE1-NH2 3.05Å; E594-R597 IonicContact OE2-CZ 3.13Å; E594-R597 IonicContact OE2-NE 2.63Å; E594-R597 PolarHBondContact OE2-NE 3.04Å; E594-R597 IonicContact OE2-NH2 3.98Å; E594-R597 PolarHBondContact OE2-NH2 3.38Å; K595-R597 VanDerWaalsContact C-N 3.33Å; K595-R597 PolarHBondContact O-N 3.25Å; R597-R601 PolarHBondContact O-N 2.97Å
598	R	88	Confident	80	Confident	66 Å²	66	96.7 Å²	96.7	25%	0.249	46%	0.455	C	S	.	.	H	α-helix	trans	-67.1	-37.7	176.7	-69.5	-176.9	-176.2	-159.9	7.7	112.1	D565 E594 K595 R601 R602	D565-R598 IonicContact OD1-CZ 3.04Å; D565-R598 IonicContact OD1-NH1 2.97Å; D565-R598 PolarHBondContact OD1-NH1 3.38Å; D565-R598 IonicContact OD1-NH2 3.14Å; E594-R598 HydrophobicContact CG-CG 4.32Å; E594-R598 WeakPolarHBondContact O-CG 3.41Å; E594-R598 PolarHBondContact O-N 3.42Å; E594-R598 IonicContact OE1-NE 3.89Å; E594-R598 PolarHBondContact OE1-NE 2.99Å; K595-R598 PolarHBondContact O-N 2.96Å; R598-R601 PolarHBondContact O-N 3.33Å; R598-R602 PolarHBondContact O-N 3.21Å; R598-R602 VanDerWaalsContact O-N 3.11Å
599	A	84	Confident	77.8	Confident	48 Å²	48	102.2 Å²	102.2	40%	0.397	48%	0.483	S	S	.	.	H	α-helix	trans	-66	-42.5	175.6	0	0	0	0	0	112.3	K595 R596 R601 R602 N603	K595-A599 WeakPolarHBondContact O-CB 3.5Å; K595-A599 PolarHBondContact O-N 3.04Å; R596-A599 PolarHBondContact O-N 2.72Å; A599-R601 PolarHBondContact O-N 3.49Å; A599-R602 PolarHBondContact O-N 3.03Å; A599-N603 PolarHBondContact O-N 3.26Å; A599-N603 VanDerWaalsContact O-N 3.1Å
600	K	84.4	Confident	75.6	Confident	147 Å²	147	102.1 Å²	102.1	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-57.9	-46.9	173.7	-76.2	-177.9	178.2	-174	0	111.9	R596 R602 N603 D604	R596-K600 WeakPolarHBondContact O-CG 3.49Å; R596-K600 PolarHBondContact O-N 3.12Å; K600-R602 VanDerWaalsContact C-N 3.34Å; K600-R602 PolarHBondContact O-N 3.41Å; K600-N603 PolarHBondContact O-N 3.35Å; K600-D604 PolarHBondContact O-N 3.09Å
601	R	82.9	Confident	73.1	Confident	139 Å²	139	106.1 Å²	106.1	53%	0.525	52%	0.517	S	S	.	.	H	α-helix	trans	-59.8	-40.5	176.8	-71.6	-179.5	176.5	-173.2	-3.9	113.2	R597 R598 A599 N603 D604 D605	R597-R601 PolarHBondContact O-N 2.97Å; R598-R601 PolarHBondContact O-N 3.33Å; A599-R601 PolarHBondContact O-N 3.49Å; R601-N603 VanDerWaalsContact C-N 3.35Å; R601-D604 PolarHBondContact O-N 3.05Å; R601-D605 WeakPolarHBondContact O-CB 3.42Å; R601-D605 VanDerWaalsContact O-CG 3.32Å; R601-D605 PolarHBondContact O-N 3.12Å
602	R	75.9	Confident	70.9	Confident	153 Å²	153	114 Å²	114	58%	0.577	56%	0.559	S	S	*	*	H	α-helix	trans	-62.9	-40.6	176.2	-76.9	-177.8	175	173	0.4	112.2	R598 A599 K600 E606	R598-R602 PolarHBondContact O-N 3.21Å; R598-R602 VanDerWaalsContact O-N 3.11Å; A599-R602 PolarHBondContact O-N 3.03Å; K600-R602 VanDerWaalsContact C-N 3.34Å; K600-R602 PolarHBondContact O-N 3.41Å; R602-E606 PolarHBondContact O-N 3.26Å
603	N	73.6	Confident	68.4	Low	111 Å²	111	115.4 Å²	115.4	59%	0.594	58%	0.582	S	S	*	*	H	α-helix	trans	-68.2	-41.3	175.7	-72.4	6	0	0	0	111.5	A599 K600 R601 D605 E606 D607	A599-N603 PolarHBondContact O-N 3.26Å; A599-N603 VanDerWaalsContact O-N 3.1Å; K600-N603 PolarHBondContact O-N 3.35Å; R601-N603 VanDerWaalsContact C-N 3.35Å; N603-D605 VanDerWaalsContact C-N 3.31Å; N603-D605 PolarHBondContact O-N 3.31Å; N603-E606 PolarHBondContact O-N 3.22Å; N603-D607 PolarHBondContact O-N 3.25Å
604	D	69.9	Low	66.2	Low	95 Å²	95	119.2 Å²	119.2	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-65	-33.4	177.7	-62.7	-30.1	0	0	0	112.2	K600 R601 I608	K600-D604 PolarHBondContact O-N 3.09Å; R601-D604 PolarHBondContact O-N 3.05Å; D604-I608 WeakPolarHBondContact O-CD1 3.3Å; D604-I608 VanDerWaalsContact O-CG1 3.27Å; D604-I608 WeakPolarHBondContact O-CG1 3.44Å
605	D	63.2	Low	64.1	Low	110 Å²	110	127.9 Å²	127.9	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-76.6	-29.3	178.3	-73.7	-32.8	0	0	0	113.1	R601 N603	R601-D605 WeakPolarHBondContact O-CB 3.42Å; R601-D605 VanDerWaalsContact O-CG 3.32Å; R601-D605 PolarHBondContact O-N 3.12Å; N603-D605 VanDerWaalsContact C-N 3.31Å; N603-D605 PolarHBondContact O-N 3.31Å
606	E	57.2	Low	61.7	Low	161 Å²	161	130.8 Å²	130.8	75%	0.752	66%	0.661	S	S	*	*	H	α-helix	trans	-75.2	-26.9	173.8	-71.9	-141.6	163.3	0	0	112.8	R602 N603 I608	R602-E606 PolarHBondContact O-N 3.26Å; N603-E606 PolarHBondContact O-N 3.22Å; E606-I608 PolarHBondContact O-N 3.09Å
607	D	55.6	Low	59.6	Low	142 Å²	142	127.5 Å²	127.5	76%	0.759	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-3.6	175.7	-73.5	-27.1	0	0	0	113.5	N603	N603-D607 PolarHBondContact O-N 3.25Å
608	I	52.5	Low	57.3	Low	122 Å²	122	130.6 Å²	130.6	63%	0.626	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	6.1	-177.2	-61.8	168.1	0	0	0	112.8	D604 E606 P610	D604-I608 WeakPolarHBondContact O-CD1 3.3Å; D604-I608 VanDerWaalsContact O-CG1 3.27Å; D604-I608 WeakPolarHBondContact O-CG1 3.44Å; E606-I608 PolarHBondContact O-N 3.09Å; I608-P610 WeakPolarHBondContact O-CD 3.48Å
609	L	41.1	Very low	55.5	Low	147 Å²	147	130.9 Å²	130.9	77%	0.77	72%	0.715	S	S	*	*			trans	-98.3	97.8	170.7	-71.8	176.1	0	0	0	112	S611	L609-S611 PolarHBondContact O-N 3.22Å
610	P	42.1	Very low	53.5	Low	103 Å²	103	140.3 Å²	140.3	67%	0.669	76%	0.759	S	S	*	*			trans	-71.9	121	176.4	28.3	-32.6	0	0	0	110.8	I608 L612	I608-P610 WeakPolarHBondContact O-CD 3.48Å; P610-L612 PolarHBondContact O-N 3.03Å; P610-L612 VanDerWaalsContact O-N 3.12Å
611	S	39.1	Very low	52	Low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.765	S	S	*	*			trans	5.4	90.6	150.9	63.9	0	0	0	0	116.6	L609	L609-S611 PolarHBondContact O-N 3.22Å
612	L	43	Very low	50.3	Low	180 Å²	180	140.1 Å²	140.1	94%	0.942	78%	0.777	S	S	*	*			trans	-103.1	89.2	162.5	-87.2	159.5	0	0	0	109.9	P610	P610-L612 PolarHBondContact O-N 3.03Å; P610-L612 VanDerWaalsContact O-N 3.12Å
613	G	36.2	Very low	48.9	Very low	66 Å²	66	139.3 Å²	139.3	68%	0.68	79%	0.789	S	S	*	*			trans	75.7	73.6	136.9	0	0	0	0	0	119.5	K615	G613-K615 PolarHBondContact O-N 3.14Å
614	K	43.6	Very low	47.5	Very low	223 Å²	223	141 Å²	141	97%	0.97	80%	0.8	S	S	*	*			trans	-82.7	94.3	142.3	-81.6	-175.3	179.1	176.7	0	108.4
615	K	47.8	Very low	46.1	Very low	204 Å²	204	143.9 Å²	143.9	89%	0.887	82%	0.818	S	S	*	*			trans	-71.3	121.3	167.8	-76.7	-175.6	176.9	179.1	0	109.5	G613	G613-K615 PolarHBondContact O-N 3.14Å
616	S	38.7	Very low	44.9	Very low	118 Å²	118	146.1 Å²	146.1	83%	0.825	83%	0.834	S	S	*	*			trans	-70.1	131.8	156.6	53.2	0	0	0	0	110.4
617	S	43.8	Very low	44.1	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	84%	0.839	S	S	*	*			trans	-170.7	107.8	141.4	57.7	0	0	0	0	110.7
618	N	40.4	Very low	43.2	Very low	176 Å²	176	145.3 Å²	145.3	94%	0.941	85%	0.846	S	S	*	*			trans	-55.9	148.1	150	-81.5	-15.3	0	0	0	110
619	G	50.8	Low	42.4	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	86%	0.864	S	S	*	*			trans	141	61.4	158.3	0	0	0	0	0	116.7
620	N	42.2	Very low	42.5	Very low	246 Å²	246	147.3 Å²	147.3	100%	1.316	87%	0.873	S	S	*	*				178.1	0	121.7	-110.4	3.4	0	0	0	110.8

Retrieved 620 of 620 residues in 851.3 ms (Link to these results)

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