A0A077ZJY7_TRITR Loading...

Helicase POLQ-like

AlphaFold DB , UniProt , Accession A0A077ZJY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	34.8	Very low	247 Å²	247	163.1 Å²	163.1	100%	1.217	87%	0.866	S	S	*	*				0	149.9	0	-76.3	160.4	65.5	0	0	107.8
2	Q	37.4	Very low	34.8	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	86%	0.857	S	S	*	*			trans	-86.2	139.7	-160	-84.7	166.2	-47.7	0	0	114.6
3	V	36.8	Very low	34.7	Very low	131 Å²	131	156.8 Å²	156.8	79%	0.794	85%	0.846	S	S	*	*			trans	75.2	121.6	131.7	175.9	0	0	0	0	118.4
4	E	32.8	Very low	34.7	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	84%	0.839	S	S	*	*			trans	-66.2	138.8	168.6	-62.9	157.8	140.4	0	0	110.3
5	A	39.6	Very low	34.8	Very low	101 Å²	101	152.9 Å²	152.9	84%	0.835	84%	0.835	S	S	*	*			trans	-121.3	121.7	167	0	0	0	0	0	107.8
6	E	35.6	Very low	35	Very low	191 Å²	191	155.3 Å²	155.3	89%	0.893	84%	0.839	S	S	*	*			trans	-73.4	158.7	-167.5	-64.1	176.5	127.8	0	0	113.2
7	A	31.7	Very low	35.6	Very low	98 Å²	98	152.8 Å²	152.8	81%	0.81	83%	0.83	S	S	*	*			trans	-72.3	138.3	-179.9	0	0	0	0	0	111.9
8	H	36.8	Very low	36.1	Very low	188 Å²	188	151.4 Å²	151.4	87%	0.87	82%	0.822	S	S	*	*			trans	-118.6	129.1	157.7	-105.5	-70.6	0	0	0	110.1
9	E	29.6	Very low	36.5	Very low	172 Å²	172	147.2 Å²	147.2	80%	0.804	80%	0.798	S	S	*	*			trans	-61.9	145.3	178.8	-61.7	167	109.2	0	0	112
10	N	32	Very low	37.3	Very low	162 Å²	162	143.1 Å²	143.1	87%	0.866	79%	0.785	S	S	*	*			trans	-150.6	78.4	142.4	-99.8	-45.5	0	0	0	108.3	A12	N10-A12 PolarHBondContact O-N 3.35Å
11	N	30.6	Very low	38	Very low	128 Å²	128	141.4 Å²	141.4	68%	0.684	78%	0.781	S	S	*	*			trans	-72.5	72.6	169.9	-176.7	20.6	0	0	0	109.6	H13	N11-H13 PolarHBondContact O-N 3.5Å; N11-H13 PolarHBondContact OD1-ND1 3.38Å
12	A	34.6	Very low	38.4	Very low	91 Å²	91	136.9 Å²	136.9	75%	0.752	76%	0.757	S	S	*	*			trans	-74.8	65.1	167.2	0	0	0	0	0	109.5	N10 S14	N10-A12 PolarHBondContact O-N 3.35Å; A12-S14 PolarHBondContact O-N 3.25Å
13	H	33.4	Very low	38.9	Very low	154 Å²	154	129.7 Å²	129.7	71%	0.713	73%	0.73	S	S	*	*			trans	-61.6	96.8	156.1	-107.6	67.5	0	0	0	106.2	N11 D15	N11-H13 PolarHBondContact O-N 3.5Å; N11-H13 PolarHBondContact OD1-ND1 3.38Å; H13-D15 PolarHBondContact O-N 2.59Å
14	S	35.9	Very low	39.6	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	71%	0.714	S	S	*	*			trans	-63.2	105.2	173.5	54	0	0	0	0	107.7	A12 E16	A12-S14 PolarHBondContact O-N 3.25Å; S14-E16 PolarHBondContact O-N 3.33Å
15	D	35.8	Very low	40.4	Very low	146 Å²	146	128.5 Å²	128.5	78%	0.781	71%	0.706	S	S	*	*			trans	-48.4	110.9	172.8	-72.4	-50	0	0	0	108.6	H13 V17	H13-D15 PolarHBondContact O-N 2.59Å; D15-V17 HydrophobicContact CB-CG2 4.34Å; D15-V17 PolarHBondContact O-N 2.67Å
16	E	37	Very low	40.5	Very low	191 Å²	191	128.6 Å²	128.6	89%	0.893	69%	0.692	S	S	*	*			trans	-73.3	76.8	171.9	-168.5	174.4	-162.5	0	0	106.7	S14 D18	S14-E16 PolarHBondContact O-N 3.33Å; E16-D18 PolarHBondContact O-N 2.85Å
17	V	45.4	Very low	41.2	Very low	113 Å²	113	127.3 Å²	127.3	69%	0.685	68%	0.679	S	S	*	*			trans	-52	106.9	-175.5	175.2	0	0	0	0	107.7	D15 L19	D15-V17 HydrophobicContact CB-CG2 4.34Å; D15-V17 PolarHBondContact O-N 2.67Å; V17-L19 PolarHBondContact O-N 3.06Å
18	D	44.9	Very low	42.2	Very low	129 Å²	129	125.6 Å²	125.6	69%	0.69	66%	0.659	S	S	*	*			trans	-73.3	85.4	-166.2	-161	-0.5	0	0	0	109.1	E16 A20 K24	E16-D18 PolarHBondContact O-N 2.85Å; D18-A20 PolarHBondContact O-N 3.22Å; D18-K24 IonicContact OD1-NZ 2.8Å; D18-K24 PolarHBondContact OD1-NZ 3.39Å
19	L	43.5	Very low	42.6	Very low	70 Å²	70	120.3 Å²	120.3	37%	0.366	64%	0.64	S	S	.	*			trans	-55	118.3	-169	-90.1	126.1	0	0	0	109.6	V17 A23 K24	V17-L19 PolarHBondContact O-N 3.06Å; L19-A23 HydrophobicContact CB-CB 4.4Å; L19-A23 HydrophobicContact CD2-CB 3.74Å; L19-K24 HydrophobicContact CB-CG 4.09Å; L19-K24 WeakPolarHBondContact O-CD 3.36Å; L19-K24 WeakPolarHBondContact O-CE 3.39Å
20	A	52.8	Low	43.1	Very low	65 Å²	65	117.7 Å²	117.7	54%	0.537	63%	0.627	S	S	.	*			trans	-43.3	140.3	-179.2	0	0	0	0	0	111.1	D18 E22 A23 K24	D18-A20 PolarHBondContact O-N 3.22Å; A20-E22 PolarHBondContact O-N 3.02Å; A20-A23 WeakPolarHBondContact O-CB 3.01Å; A20-A23 PolarHBondContact O-N 3.37Å; A20-K24 PolarHBondContact O-N 2.97Å
21	P	52.4	Low	43.8	Very low	109 Å²	109	113 Å²	113	71%	0.708	61%	0.607	S	S	*	*	H	α-helix	trans	-56.6	-26.6	-163.5	16.1	-30.5	0	0	0	114.5	R25	P21-R25 VanDerWaalsContact O-CB 3.25Å; P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 PolarHBondContact O-N 2.98Å
22	E	47.8	Very low	44.5	Very low	151 Å²	151	115 Å²	115	71%	0.706	61%	0.605	S	S	*	*	H	α-helix	trans	-65.7	-37.7	173.3	-61	-164	136.3	0	0	113.7	A20 R25 N26	A20-E22 PolarHBondContact O-N 3.02Å; E22-R25 PolarHBondContact O-N 3.44Å; E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 VanDerWaalsContact O-CG 3.27Å; E22-N26 PolarHBondContact O-N 2.97Å; E22-N26 PolarHBondContact O-ND2 3.5Å
23	A	48.9	Very low	44.7	Very low	37 Å²	37	115.2 Å²	115.2	31%	0.306	59%	0.593	S	S	.	*	H	α-helix	trans	-69.7	-43.4	178.2	0	0	0	0	0	111.6	L19 A20 R25 N26 R27	L19-A23 HydrophobicContact CB-CB 4.4Å; L19-A23 HydrophobicContact CD2-CB 3.74Å; A20-A23 WeakPolarHBondContact O-CB 3.01Å; A20-A23 PolarHBondContact O-N 3.37Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 3.3Å; A23-N26 PolarHBondContact O-N 2.59Å; A23-R27 PolarHBondContact O-N 2.81Å; A23-R27 VanDerWaalsContact O-N 3.11Å
24	K	51.5	Low	45.1	Very low	107 Å²	107	116 Å²	116	47%	0.465	59%	0.59	S	S	.	*	H	α-helix	trans	-58.8	-41.3	170.5	-73.1	177	178.5	174.5	0	110.6	D18 L19 A20 T28	D18-K24 IonicContact OD1-NZ 2.8Å; D18-K24 PolarHBondContact OD1-NZ 3.39Å; L19-K24 HydrophobicContact CB-CG 4.09Å; L19-K24 WeakPolarHBondContact O-CD 3.36Å; L19-K24 WeakPolarHBondContact O-CE 3.39Å; A20-K24 PolarHBondContact O-N 2.97Å; K24-T28 PolarHBondContact O-N 3.25Å; K24-T28 PolarHBondContact O-OG1 3.46Å
25	R	48.5	Very low	45.6	Very low	188 Å²	188	116.3 Å²	116.3	71%	0.709	58%	0.579	S	S	*	*	H	α-helix	trans	-66.6	-43.5	178.1	-161.3	178.7	-162.5	-177.3	6.7	113	P21 E22 A23 T28 V29	P21-R25 VanDerWaalsContact O-CB 3.25Å; P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 PolarHBondContact O-N 2.98Å; E22-R25 PolarHBondContact O-N 3.44Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 3.3Å; R25-T28 WeakPolarHBondContact O-CB 3.36Å; R25-T28 PolarHBondContact O-N 3.17Å; R25-V29 WeakPolarHBondContact O-CG2 3.42Å; R25-V29 PolarHBondContact O-N 2.87Å; R25-V29 VanDerWaalsContact O-N 3.07Å
26	N	41.7	Very low	45.8	Very low	102 Å²	102	116.6 Å²	116.6	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-65.9	-46.4	-179.8	-74.1	-17	0	0	0	111.9	E22 A23 T28 V29 E30	E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 VanDerWaalsContact O-CG 3.27Å; E22-N26 PolarHBondContact O-N 2.97Å; E22-N26 PolarHBondContact O-ND2 3.5Å; A23-N26 PolarHBondContact O-N 2.59Å; N26-T28 PolarHBondContact O-N 2.91Å; N26-V29 PolarHBondContact O-N 3.3Å; N26-E30 PolarHBondContact O-N 3.46Å
27	R	50.4	Low	45.8	Very low	164 Å²	164	112.7 Å²	112.7	62%	0.619	55%	0.55	S	S	*	.	H	α-helix	trans	-56.7	-36.6	172.7	-73.8	-175.4	177.1	-178.6	1	112.2	A23 V29 E30 S31	A23-R27 PolarHBondContact O-N 2.81Å; A23-R27 VanDerWaalsContact O-N 3.11Å; R27-V29 VanDerWaalsContact C-N 3.35Å; R27-E30 PolarHBondContact O-N 3.18Å; R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 3.23Å; R27-S31 PolarHBondContact O-OG 2.87Å
28	T	53.4	Low	45.6	Very low	62 Å²	62	112.7 Å²	112.7	38%	0.38	54%	0.542	S	S	.	.	H	α-helix	trans	-69.2	-30	176.6	-53.8	0	0	0	0	112.9	K24 R25 N26 S31 R32	K24-T28 PolarHBondContact O-N 3.25Å; K24-T28 PolarHBondContact O-OG1 3.46Å; R25-T28 WeakPolarHBondContact O-CB 3.36Å; R25-T28 PolarHBondContact O-N 3.17Å; N26-T28 PolarHBondContact O-N 2.91Å; T28-S31 PolarHBondContact O-OG 2.83Å; T28-R32 WeakPolarHBondContact O-CB 3.25Å; T28-R32 WeakPolarHBondContact O-CD 3.4Å; T28-R32 WeakPolarHBondContact O-CG 3.46Å; T28-R32 PolarHBondContact O-N 3.2Å
29	V	44.4	Very low	45.4	Very low	77 Å²	77	111.2 Å²	111.2	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-77.2	-42.9	174.4	173.9	0	0	0	0	110.7	R25 N26 R27 R32 L33	R25-V29 WeakPolarHBondContact O-CG2 3.42Å; R25-V29 PolarHBondContact O-N 2.87Å; R25-V29 VanDerWaalsContact O-N 3.07Å; N26-V29 PolarHBondContact O-N 3.3Å; R27-V29 VanDerWaalsContact C-N 3.35Å; V29-R32 PolarHBondContact O-N 3.44Å; V29-L33 HydrophobicContact CG1-CD1 4.05Å; V29-L33 WeakPolarHBondContact O-CB 3.42Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.08Å
30	E	41.3	Very low	45	Very low	117 Å²	117	111.3 Å²	111.3	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-44.8	176.2	-71.8	-172.9	144.4	0	0	112.4	N26 R27 R32 L33 R34	N26-E30 PolarHBondContact O-N 3.46Å; R27-E30 PolarHBondContact O-N 3.18Å; E30-R32 PolarHBondContact O-N 2.84Å; E30-L33 PolarHBondContact O-N 3.14Å; E30-L33 VanDerWaalsContact O-N 3.17Å; E30-R34 PolarHBondContact O-N 3.43Å
31	S	45.7	Very low	44.1	Very low	63 Å²	63	111.1 Å²	111.1	44%	0.441	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-43	177.4	65.8	0	0	0	0	111.6	R27 T28 L33 R34 Q35	R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 3.23Å; R27-S31 PolarHBondContact O-OG 2.87Å; T28-S31 PolarHBondContact O-OG 2.83Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.77Å; S31-R34 PolarHBondContact O-N 3.42Å; S31-Q35 VanDerWaalsContact O-CB 3.23Å; S31-Q35 WeakPolarHBondContact O-CB 3.47Å; S31-Q35 PolarHBondContact O-N 2.92Å
32	R	45.7	Very low	43.2	Very low	172 Å²	172	110.6 Å²	110.6	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-33.5	173.8	-73.5	173.6	-177.6	-172.1	1.4	113.1	T28 V29 E30 R36	T28-R32 WeakPolarHBondContact O-CB 3.25Å; T28-R32 WeakPolarHBondContact O-CD 3.4Å; T28-R32 WeakPolarHBondContact O-CG 3.46Å; T28-R32 PolarHBondContact O-N 3.2Å; V29-R32 PolarHBondContact O-N 3.44Å; E30-R32 PolarHBondContact O-N 2.84Å; R32-R36 WeakPolarHBondContact O-CB 3.25Å; R32-R36 PolarHBondContact O-N 3.35Å; R32-R36 VanDerWaalsContact O-N 3.16Å
33	L	37.5	Very low	42.6	Very low	94 Å²	94	109.8 Å²	109.8	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-71.3	-47.9	174.3	-77.2	169.7	0	0	0	111.1	V29 E30 S31 R36 F37	V29-L33 HydrophobicContact CG1-CD1 4.05Å; V29-L33 WeakPolarHBondContact O-CB 3.42Å; V29-L33 WeakPolarHBondContact O-CG 3.33Å; V29-L33 PolarHBondContact O-N 3.08Å; E30-L33 PolarHBondContact O-N 3.14Å; E30-L33 VanDerWaalsContact O-N 3.17Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.77Å; L33-R36 CarbonylContact O-C 3.56Å; L33-R36 PolarHBondContact O-N 3.16Å; L33-F37 VanDerWaalsContact O-CD2 3.27Å; L33-F37 WeakPolarHBondContact O-CD2 3.4Å; L33-F37 PolarHBondContact O-N 3.41Å
34	R	42.7	Very low	41.8	Very low	170 Å²	170	111.6 Å²	111.6	64%	0.642	53%	0.525	S	S	*	.	H	α-helix	trans	-57.8	-52.8	175.4	-74.9	-172	-178.1	-170.9	1.6	111.5	E30 S31 R36 F37 E38	E30-R34 PolarHBondContact O-N 3.43Å; S31-R34 PolarHBondContact O-N 3.42Å; R34-R36 PolarHBondContact O-N 3.36Å; R34-R36 VanDerWaalsContact O-N 3.16Å; R34-F37 CarbonylContact O-C 3.56Å; R34-F37 WeakPolarHBondContact O-CA 3.49Å; R34-F37 PolarHBondContact O-N 3.23Å; R34-E38 WeakPolarHBondContact O-CB 3.1Å; R34-E38 WeakPolarHBondContact O-CG 3.2Å; R34-E38 PolarHBondContact O-N 3.17Å
35	Q	45.6	Very low	40.9	Very low	115 Å²	115	110.5 Å²	110.5	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-59.7	-31.3	179.2	-161.8	178.8	39.2	0	0	112.1	S31 Q39	S31-Q35 VanDerWaalsContact O-CB 3.23Å; S31-Q35 WeakPolarHBondContact O-CB 3.47Å; S31-Q35 PolarHBondContact O-N 2.92Å; Q35-Q39 VanDerWaalsContact O-CB 3.22Å; Q35-Q39 WeakPolarHBondContact O-CB 3.45Å; Q35-Q39 WeakPolarHBondContact O-CG 3.24Å; Q35-Q39 PolarHBondContact O-N 3.16Å
36	R	41.3	Very low	40.1	Very low	153 Å²	153	105.4 Å²	105.4	58%	0.577	53%	0.534	S	S	*	.	H	α-helix	trans	-78.4	-33.8	174.1	-167.5	172.2	-170.8	163.4	2.8	113.1	R32 L33 R34 N40	R32-R36 WeakPolarHBondContact O-CB 3.25Å; R32-R36 PolarHBondContact O-N 3.35Å; R32-R36 VanDerWaalsContact O-N 3.16Å; L33-R36 CarbonylContact O-C 3.56Å; L33-R36 PolarHBondContact O-N 3.16Å; R34-R36 PolarHBondContact O-N 3.36Å; R34-R36 VanDerWaalsContact O-N 3.16Å; R36-N40 VanDerWaalsContact O-CB 3.25Å; R36-N40 WeakPolarHBondContact O-CB 3.16Å; R36-N40 PolarHBondContact O-N 2.76Å; R36-N40 PolarHBondContact O-ND2 3.48Å; R36-N40 PolarHBondContact O-OD1 2.87Å
37	F	37.4	Very low	40	Very low	109 Å²	109	102.7 Å²	102.7	48%	0.478	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-41.3	170.1	-88.1	-68.9	0	0	0	111.5	L33 R34 N40 A41	L33-F37 VanDerWaalsContact O-CD2 3.27Å; L33-F37 WeakPolarHBondContact O-CD2 3.4Å; L33-F37 PolarHBondContact O-N 3.41Å; R34-F37 CarbonylContact O-C 3.56Å; R34-F37 WeakPolarHBondContact O-CA 3.49Å; R34-F37 PolarHBondContact O-N 3.23Å; F37-N40 CarbonylContact O-C 3.21Å; F37-N40 PolarHBondContact O-N 3.19Å; F37-A41 VanDerWaalsContact O-CB 3.24Å; F37-A41 WeakPolarHBondContact O-CB 3.33Å; F37-A41 PolarHBondContact O-N 3.18Å
38	E	40	Very low	39.1	Very low	112 Å²	112	99 Å²	99	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-44.4	175.3	-72.1	160.4	-169.4	0	0	111.3	R34 N40 A41 T42	R34-E38 WeakPolarHBondContact O-CB 3.1Å; R34-E38 WeakPolarHBondContact O-CG 3.2Å; R34-E38 PolarHBondContact O-N 3.17Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 3.44Å; E38-A41 PolarHBondContact O-N 2.83Å; E38-T42 WeakPolarHBondContact O-CB 3.18Å; E38-T42 WeakPolarHBondContact O-CG2 3.43Å; E38-T42 PolarHBondContact O-N 2.74Å; E38-T42 PolarHBondContact O-OG1 2.92Å
39	Q	41.3	Very low	38.4	Very low	98 Å²	98	98.3 Å²	98.3	46%	0.458	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-37.7	170.7	-80.4	178.9	1.2	0	0	112.4	Q35 T42 R43	Q35-Q39 VanDerWaalsContact O-CB 3.22Å; Q35-Q39 WeakPolarHBondContact O-CB 3.45Å; Q35-Q39 WeakPolarHBondContact O-CG 3.24Å; Q35-Q39 PolarHBondContact O-N 3.16Å; Q39-T42 WeakPolarHBondContact CA-OG1 3.48Å; Q39-T42 PolarHBondContact O-OG1 3.5Å; Q39-R43 WeakPolarHBondContact O-CB 3.26Å; Q39-R43 WeakPolarHBondContact O-CD 3.42Å; Q39-R43 WeakPolarHBondContact O-CG 3.49Å; Q39-R43 PolarHBondContact O-N 3Å; Q39-R43 VanDerWaalsContact O-N 3.13Å
40	N	34.1	Very low	38.3	Very low	73 Å²	73	96 Å²	96	39%	0.39	49%	0.487	S	S	.	.	H	α-helix	trans	-69.2	-39.7	174	-72.3	-8.4	0	0	0	111.2	R36 F37 E38 C44	R36-N40 VanDerWaalsContact O-CB 3.25Å; R36-N40 WeakPolarHBondContact O-CB 3.16Å; R36-N40 PolarHBondContact O-N 2.76Å; R36-N40 PolarHBondContact O-ND2 3.48Å; R36-N40 PolarHBondContact O-OD1 2.87Å; F37-N40 CarbonylContact O-C 3.21Å; F37-N40 PolarHBondContact O-N 3.19Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 3.44Å; N40-C44 VanDerWaalsContact O-CB 3.32Å; N40-C44 WeakPolarHBondContact O-CB 3.31Å; N40-C44 PolarHBondContact O-N 3.24Å; N40-C44 PolarHBondContact O-SG 3.2Å
41	A	33.5	Very low	38.7	Very low	60 Å²	60	91.4 Å²	91.4	50%	0.496	47%	0.465	S	S	.	.	H	α-helix	trans	-73.2	-41.8	-177.9	0	0	0	0	0	112.7	F37 E38 R43 C44 A45	F37-A41 VanDerWaalsContact O-CB 3.24Å; F37-A41 WeakPolarHBondContact O-CB 3.33Å; F37-A41 PolarHBondContact O-N 3.18Å; E38-A41 PolarHBondContact O-N 2.83Å; A41-R43 VanDerWaalsContact C-N 3.32Å; A41-C44 PolarHBondContact O-N 3.24Å; A41-A45 PolarHBondContact O-N 2.92Å
42	T	35.1	Very low	39	Very low	98 Å²	98	89.4 Å²	89.4	60%	0.601	45%	0.448	S	S	*	.	H	α-helix	trans	-68.9	-30.3	174.4	50.4	0	0	0	0	112.3	E38 Q39	E38-T42 WeakPolarHBondContact O-CB 3.18Å; E38-T42 WeakPolarHBondContact O-CG2 3.43Å; E38-T42 PolarHBondContact O-N 2.74Å; E38-T42 PolarHBondContact O-OG1 2.92Å; Q39-T42 WeakPolarHBondContact CA-OG1 3.48Å; Q39-T42 PolarHBondContact O-OG1 3.5Å
43	R	34.5	Very low	39.3	Very low	135 Å²	135	82.6 Å²	82.6	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-57.7	164.5	-80.5	174	169.9	163.9	-2.5	111.3	Q39 A41 A45 A46 E47	Q39-R43 WeakPolarHBondContact O-CB 3.26Å; Q39-R43 WeakPolarHBondContact O-CD 3.42Å; Q39-R43 WeakPolarHBondContact O-CG 3.49Å; Q39-R43 PolarHBondContact O-N 3Å; Q39-R43 VanDerWaalsContact O-N 3.13Å; A41-R43 VanDerWaalsContact C-N 3.32Å; R43-A45 PolarHBondContact O-N 3.11Å; R43-A46 PolarHBondContact O-N 3.07Å; R43-E47 WeakPolarHBondContact CB-OE1 3.41Å; R43-E47 WeakPolarHBondContact O-CB 3.39Å; R43-E47 WeakPolarHBondContact O-CG 3.5Å
44	C	32.2	Very low	40.2	Very low	74 Å²	74	78.1 Å²	78.1	50%	0.5	41%	0.408	S	S	.	.	H	α-helix	trans	-53	-21.2	178.5	-74.3	0	0	0	0	114.9	N40 A41	N40-C44 VanDerWaalsContact O-CB 3.32Å; N40-C44 WeakPolarHBondContact O-CB 3.31Å; N40-C44 PolarHBondContact O-N 3.24Å; N40-C44 PolarHBondContact O-SG 3.2Å; A41-C44 PolarHBondContact O-N 3.24Å
45	A	32.3	Very low	40.8	Very low	84 Å²	84	70.6 Å²	70.6	69%	0.694	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-18.6	176.9	0	0	0	0	0	114.4	A41 R43	A41-A45 PolarHBondContact O-N 2.92Å; R43-A45 PolarHBondContact O-N 3.11Å
46	A	32.1	Very low	41.4	Very low	82 Å²	82	68.9 Å²	68.9	68%	0.678	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	12.5	-178.4	0	0	0	0	0	113.2	R43	R43-A46 PolarHBondContact O-N 3.07Å
47	E	39.4	Very low	42.4	Very low	45 Å²	45	65.6 Å²	65.6	21%	0.21	37%	0.369	C	S	.	.			trans	-133.6	42.4	-143.9	-83.1	-174.4	-167.9	0	0	113.4	R43 E49 L80	R43-E47 WeakPolarHBondContact CB-OE1 3.41Å; R43-E47 WeakPolarHBondContact O-CB 3.39Å; R43-E47 WeakPolarHBondContact O-CG 3.5Å; E47-E49 PolarHBondContact O-N 3.06Å; E47-L80 HydrophobicContact CB-CD2 3.6Å; E47-L80 HydrophobicContact CG-CB 4.33Å; E47-L80 HydrophobicContact CG-CD1 3.59Å; E47-L80 HydrophobicContact CG-CD2 3.6Å; E47-L80 HydrophobicContact CG-CG 3.99Å; E47-L80 WeakPolarHBondContact OE1-CD1 3.39Å
48	E	32.2	Very low	43.6	Very low	85 Å²	85	60.4 Å²	60.4	40%	0.397	35%	0.347	S	S	.	.			trans	-86.8	103.9	168.2	-50	-166.1	135.4	0	0	105.9	Y77 K120	E48-Y77 HydrophobicContact CB-CD2 3.61Å; E48-Y77 HydrophobicContact CB-CE1 4.4Å; E48-Y77 HydrophobicContact CB-CE2 3.11Å; E48-Y77 HydrophobicContact CB-CG 4.5Å; E48-Y77 HydrophobicContact CG-CE2 4.39Å; E48-Y77 WeakPolarHBondContact O-CA 3.37Å; E48-Y77 WeakPolarHBondContact O-CB 3.41Å; E48-Y77 WeakPolarHBondContact O-CD2 3.15Å; E48-K120 IonicContact OE1-NZ 2.63Å; E48-K120 PolarHBondContact OE1-NZ 2.85Å
49	E	37.4	Very low	44.7	Very low	48 Å²	48	59.9 Å²	59.9	22%	0.224	34%	0.34	C	S	.	.			trans	-161.3	14.8	177.2	-159.4	-152.6	99.5	0	0	112.4	E47 S79 L80 W81	E47-E49 PolarHBondContact O-N 3.06Å; E49-S79 PolarHBondContact OE2-N 3.03Å; E49-L80 HydrophobicContact CB-CB 4.15Å; E49-L80 WeakPolarHBondContact OE2-CA 3.2Å; E49-L80 PolarHBondContact OE2-N 3.41Å; E49-W81 WeakPolarHBondContact OE1-CA 3.17Å; E49-W81 PolarHBondContact OE1-N 3.48Å; E49-W81 PolarHBondContact OE2-N 3.45Å
50	T	42.6	Very low	45.9	Very low	29 Å²	29	59.8 Å²	59.8	18%	0.178	34%	0.343	C	S	.	.	S	Bend	trans	-146.3	155.7	-159	49.6	0	0	0	0	111.2	Y52 G53 L54 L80 I84	T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 2.86Å; T50-G53 PolarHBondContact O-N 3.48Å; T50-G53 WeakPolarHBondContact OG1-CA 3.27Å; T50-G53 PolarHBondContact OG1-N 2.97Å; T50-L54 WeakPolarHBondContact CB-O 3.43Å; T50-L80 HydrophobicContact CG2-CD2 4.4Å; T50-I84 HydrophobicContact CG2-CD1 3.98Å
51	F	51	Low	47.3	Very low	21 Å²	21	56.7 Å²	56.7	9%	0.092	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-64.2	87.7	-179.8	171	-123.6	0	0	0	110	G53 L54 R59 F62 L71 I141	F51-G53 PolarHBondContact O-N 3.49Å; F51-L54 HydrophobicContact CB-CB 4.33Å; F51-L54 HydrophobicContact CD1-CB 3.95Å; F51-L54 HydrophobicContact CD1-CD1 3.53Å; F51-L54 HydrophobicContact CD1-CG 4.32Å; F51-L54 HydrophobicContact CE1-CD1 3.62Å; F51-L54 HydrophobicContact CG-CD1 4.49Å; F51-L54 PolarHBondContact N-O 2.83Å; F51-L54 WeakPolarHBondContact O-CA 3.26Å; F51-L54 WeakPolarHBondContact O-CB 3.46Å; F51-L54 WeakPolarHBondContact O-CD1 3.32Å; F51-L54 VanDerWaalsContact O-CG 3.25Å; F51-L54 WeakPolarHBondContact O-CG 3.5Å; F51-L54 PolarHBondContact O-N 2.78Å; F51-R59 HydrophobicContact CB-CB 4.48Å; F51-F62 AromaticContact CE1-CD2 3.72Å; F51-F62 HydrophobicContact CE1-CD2 3.72Å; F51-F62 AromaticContact CE1-CE2 3.85Å; F51-F62 HydrophobicContact CE1-CE2 3.85Å; F51-F62 HydrophobicContact CE1-CG 4.47Å; F51-F62 HydrophobicContact CZ-CD2 4.5Å; F51-L71 HydrophobicContact CD1-CD1 4.49Å; F51-L71 HydrophobicContact CD2-CB 3.88Å; F51-L71 HydrophobicContact CD2-CD1 3.85Å; F51-L71 HydrophobicContact CD2-CD2 4.39Å; F51-L71 HydrophobicContact CD2-CG 4.21Å; F51-L71 HydrophobicContact CE1-CD1 4.2Å; F51-L71 HydrophobicContact CE2-CB 3.81Å; F51-L71 HydrophobicContact CE2-CD1 3.5Å; F51-L71 VanDerWaalsContact CE2-CD1 3.5Å; F51-L71 HydrophobicContact CE2-CD2 3.48Å; F51-L71 VanDerWaalsContact CE2-CD2 3.48Å; F51-L71 HydrophobicContact CE2-CG 3.73Å; F51-L71 HydrophobicContact CG-CD1 4.35Å; F51-L71 HydrophobicContact CZ-CD1 3.69Å; F51-L71 HydrophobicContact CZ-CD2 3.89Å; F51-L71 HydrophobicContact CZ-CG 4.27Å; F51-I141 HydrophobicContact CE1-CG1 4.35Å; F51-I141 HydrophobicContact CZ-CD1 3.8Å; F51-I141 HydrophobicContact CZ-CG1 3.99Å
52	Y	51.4	Low	48.8	Very low	21 Å²	21	53.8 Å²	53.8	8%	0.082	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	25.4	-171.8	-55	-63.6	0	0	0	115.6	T50 V106 D111 L114 I141 K145	T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 2.86Å; Y52-V106 HydrophobicContact CE2-CG1 4.27Å; Y52-V106 WeakPolarHBondContact OH-CG1 3.39Å; Y52-D111 WeakPolarHBondContact CE1-OD1 3.3Å; Y52-D111 VanDerWaalsContact CZ-OD1 3.3Å; Y52-D111 WeakPolarHBondContact OH-CB 3.47Å; Y52-D111 PolarHBondContact OH-OD1 2.72Å; Y52-L114 HydrophobicContact CD1-CB 3.36Å; Y52-L114 HydrophobicContact CD1-CD1 3.93Å; Y52-L114 HydrophobicContact CD1-CG 4.13Å; Y52-L114 HydrophobicContact CD2-CD1 3.59Å; Y52-L114 HydrophobicContact CD2-CG 4.49Å; Y52-L114 HydrophobicContact CE1-CB 3.53Å; Y52-L114 HydrophobicContact CE1-CD1 3.85Å; Y52-L114 HydrophobicContact CE1-CG 4.3Å; Y52-L114 HydrophobicContact CE2-CD1 3.46Å; Y52-L114 VanDerWaalsContact CE2-CD1 3.46Å; Y52-L114 HydrophobicContact CG-CB 3.93Å; Y52-L114 HydrophobicContact CG-CD1 3.81Å; Y52-L114 HydrophobicContact CG-CD2 4.36Å; Y52-L114 HydrophobicContact CG-CG 4.24Å; Y52-I141 HydrophobicContact CD2-CG2 3.93Å; Y52-I141 HydrophobicContact CG-CG2 4.39Å; Y52-K145 WeakPolarHBondContact O-CD 3.42Å; Y52-K145 WeakPolarHBondContact O-CE 3.5Å; Y52-K145 PolarHBondContact O-NZ 2.9Å
53	G	52.1	Low	50.3	Low	28 Å²	28	55 Å²	55	29%	0.289	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-11.5	-169.9	0	0	0	0	0	114.2	T50 F51 C149	T50-G53 PolarHBondContact O-N 3.48Å; T50-G53 WeakPolarHBondContact OG1-CA 3.27Å; T50-G53 PolarHBondContact OG1-N 2.97Å; F51-G53 PolarHBondContact O-N 3.49Å; G53-C149 VanDerWaalsContact C-SG 3.56Å; G53-C149 PolarHBondContact O-SG 3.4Å
54	L	55.6	Low	51.6	Low	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-84.1	138.5	-170.5	-62.8	165.2	0	0	0	113	T50 F51 V58 I141 L144 K145 V148	T50-L54 WeakPolarHBondContact CB-O 3.43Å; F51-L54 HydrophobicContact CB-CB 4.33Å; F51-L54 HydrophobicContact CD1-CB 3.95Å; F51-L54 HydrophobicContact CD1-CD1 3.53Å; F51-L54 HydrophobicContact CD1-CG 4.32Å; F51-L54 HydrophobicContact CE1-CD1 3.62Å; F51-L54 HydrophobicContact CG-CD1 4.49Å; F51-L54 PolarHBondContact N-O 2.83Å; F51-L54 WeakPolarHBondContact O-CA 3.26Å; F51-L54 WeakPolarHBondContact O-CB 3.46Å; F51-L54 WeakPolarHBondContact O-CD1 3.32Å; F51-L54 VanDerWaalsContact O-CG 3.25Å; F51-L54 WeakPolarHBondContact O-CG 3.5Å; F51-L54 PolarHBondContact O-N 2.78Å; L54-V58 HydrophobicContact CB-CB 3.97Å; L54-V58 HydrophobicContact CB-CG1 4.07Å; L54-V58 HydrophobicContact CB-CG2 4.24Å; L54-V58 HydrophobicContact CD1-CG1 3.93Å; L54-V58 HydrophobicContact CD2-CG1 4.25Å; L54-V58 HydrophobicContact CD2-CG2 4.4Å; L54-V58 HydrophobicContact CG-CG1 4.32Å; L54-I141 HydrophobicContact CD1-CG2 4.07Å; L54-L144 HydrophobicContact CD1-CB 4.42Å; L54-L144 HydrophobicContact CD2-CB 3.84Å; L54-K145 HydrophobicContact CD2-CB 4.3Å; L54-V148 HydrophobicContact CD2-CB 4.44Å
55	P	56	Low	52.9	Low	12 Å²	12	47.9 Å²	47.9	8%	0.078	26%	0.264	C	S	.	.			trans	-55.9	154.7	176.3	-31.3	37.8	0	0	0	115	K57 V58 R59 I84 V148	P55-K57 PolarHBondContact O-N 3.06Å; P55-K57 VanDerWaalsContact O-N 3.08Å; P55-V58 HydrophobicContact CB-CG2 4.35Å; P55-V58 WeakPolarHBondContact O-CA 3.47Å; P55-V58 WeakPolarHBondContact O-CB 3.49Å; P55-V58 PolarHBondContact O-N 3.31Å; P55-R59 PolarHBondContact O-N 2.9Å; P55-I84 HydrophobicContact CB-CG2 3.73Å; P55-I84 HydrophobicContact CG-CG2 3.99Å; P55-V148 VanDerWaalsContact CD-CG1 3.43Å; P55-V148 HydrophobicContact CG-CG1 3.51Å
56	P	57.4	Low	54.3	Low	78 Å²	78	44.1 Å²	44.1	51%	0.506	23%	0.232	S	C	.	.	H	α-helix	trans	-55.5	-29.8	176.4	-27.1	34.9	0	0	0	114.4	V58 R59 N60	P56-V58 VanDerWaalsContact C-N 3.3Å; P56-V58 PolarHBondContact O-N 3.03Å; P56-R59 PolarHBondContact O-N 2.9Å; P56-N60 WeakPolarHBondContact O-CB 3.04Å; P56-N60 VanDerWaalsContact O-CG 3.28Å; P56-N60 PolarHBondContact O-N 2.69Å; P56-N60 PolarHBondContact O-ND2 3Å
57	K	64.1	Low	55.4	Low	84 Å²	84	41.4 Å²	41.4	37%	0.365	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-40.5	173	-169.5	178.1	-176.5	-175.9	0	111.5	P55 N60 L61 D177 L178	P55-K57 PolarHBondContact O-N 3.06Å; P55-K57 VanDerWaalsContact O-N 3.08Å; K57-N60 PolarHBondContact O-N 2.71Å; K57-L61 HydrophobicContact CG-CD1 4.21Å; K57-L61 HydrophobicContact CG-CG 4.47Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 VanDerWaalsContact O-CG 3.25Å; K57-L61 WeakPolarHBondContact O-CG 3.46Å; K57-L61 PolarHBondContact O-N 2.69Å; K57-D177 WeakPolarHBondContact CE-O 3Å; K57-D177 PolarHBondContact NZ-O 3.03Å; K57-L178 HydrophobicContact CD-CD2 4.24Å; K57-L178 HydrophobicContact CG-CD2 4.31Å
58	V	62.4	Low	56.2	Low	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-46.1	177.2	-172.9	0	0	0	0	110.5	L54 P55 P56 N60 L61 F62 L144 L178	L54-V58 HydrophobicContact CB-CB 3.97Å; L54-V58 HydrophobicContact CB-CG1 4.07Å; L54-V58 HydrophobicContact CB-CG2 4.24Å; L54-V58 HydrophobicContact CD1-CG1 3.93Å; L54-V58 HydrophobicContact CD2-CG1 4.25Å; L54-V58 HydrophobicContact CD2-CG2 4.4Å; L54-V58 HydrophobicContact CG-CG1 4.32Å; P55-V58 HydrophobicContact CB-CG2 4.35Å; P55-V58 WeakPolarHBondContact O-CA 3.47Å; P55-V58 WeakPolarHBondContact O-CB 3.49Å; P55-V58 PolarHBondContact O-N 3.31Å; P56-V58 VanDerWaalsContact C-N 3.3Å; P56-V58 PolarHBondContact O-N 3.03Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 2.72Å; V58-L61 PolarHBondContact O-N 2.85Å; V58-F62 HydrophobicContact CG1-CD2 3.75Å; V58-F62 HydrophobicContact CG1-CE2 3.65Å; V58-F62 WeakPolarHBondContact O-CD2 3.34Å; V58-F62 PolarHBondContact O-N 3.1Å; V58-L144 HydrophobicContact CG1-CD1 4Å; V58-L178 HydrophobicContact CG1-CD1 4.38Å; V58-L178 HydrophobicContact CG2-CD1 3.86Å; V58-L178 HydrophobicContact CG2-CD2 3.72Å; V58-L178 HydrophobicContact CG2-CG 4.47Å
59	R	62.9	Low	57	Low	102 Å²	102	37.5 Å²	37.5	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-55.9	-44.6	173.7	-173.4	-179.3	-175.2	165	5.6	111.6	F51 P55 P56 F62 K63 L71 D73	F51-R59 HydrophobicContact CB-CB 4.48Å; P55-R59 PolarHBondContact O-N 2.9Å; P56-R59 PolarHBondContact O-N 2.9Å; R59-F62 PolarHBondContact O-N 3.3Å; R59-K63 PolarHBondContact O-N 2.95Å; R59-L71 HydrophobicContact CG-CD1 4.21Å; R59-D73 IonicContact NH2-OD1 3.85Å
60	N	66.5	Low	57.5	Low	96 Å²	96	42.8 Å²	42.8	51%	0.513	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-41.4	177.5	-71	-25.6	0	0	0	112.2	P56 K57 V58 K63 E64	P56-N60 WeakPolarHBondContact O-CB 3.04Å; P56-N60 VanDerWaalsContact O-CG 3.28Å; P56-N60 PolarHBondContact O-N 2.69Å; P56-N60 PolarHBondContact O-ND2 3Å; K57-N60 PolarHBondContact O-N 2.71Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 2.72Å; N60-K63 PolarHBondContact O-N 2.8Å; N60-E64 WeakPolarHBondContact O-CB 3.41Å; N60-E64 PolarHBondContact O-N 2.76Å
61	L	63.8	Low	57.7	Low	7 Å²	7	41.7 Å²	41.7	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-41	174.6	-70.9	168.8	0	0	0	111.8	K57 V58 K63 E64 L65 L97 L174 D177 L178	K57-L61 HydrophobicContact CG-CD1 4.21Å; K57-L61 HydrophobicContact CG-CG 4.47Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 VanDerWaalsContact O-CG 3.25Å; K57-L61 WeakPolarHBondContact O-CG 3.46Å; K57-L61 PolarHBondContact O-N 2.69Å; V58-L61 PolarHBondContact O-N 2.85Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.5Å; L61-E64 PolarHBondContact O-N 3.02Å; L61-L65 HydrophobicContact CB-CD1 4.46Å; L61-L65 WeakPolarHBondContact O-CB 3.31Å; L61-L65 PolarHBondContact O-N 3.4Å; L61-L97 HydrophobicContact CD2-CD1 3.77Å; L61-L174 HydrophobicContact CB-CD2 4.07Å; L61-L174 HydrophobicContact CD1-CD2 4.37Å; L61-D177 HydrophobicContact CD1-CB 3.63Å; L61-D177 HydrophobicContact CD2-CB 3.88Å; L61-D177 WeakPolarHBondContact CD2-OD2 3.46Å; L61-D177 HydrophobicContact CG-CB 4.41Å; L61-L178 HydrophobicContact CD1-CD1 3.98Å; L61-L178 HydrophobicContact CD1-CD2 3.66Å; L61-L178 HydrophobicContact CD1-CG 3.63Å
62	F	65.1	Low	57.1	Low	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-36.8	172.3	-86.9	-74.2	0	0	0	112.6	F51 V58 R59 R66 G67 I68 L137 I141 L144	F51-F62 AromaticContact CE1-CD2 3.72Å; F51-F62 HydrophobicContact CE1-CD2 3.72Å; F51-F62 AromaticContact CE1-CE2 3.85Å; F51-F62 HydrophobicContact CE1-CE2 3.85Å; F51-F62 HydrophobicContact CE1-CG 4.47Å; F51-F62 HydrophobicContact CZ-CD2 4.5Å; V58-F62 HydrophobicContact CG1-CD2 3.75Å; V58-F62 HydrophobicContact CG1-CE2 3.65Å; V58-F62 WeakPolarHBondContact O-CD2 3.34Å; V58-F62 PolarHBondContact O-N 3.1Å; R59-F62 PolarHBondContact O-N 3.3Å; F62-R66 HydrophobicContact CD1-CB 4.25Å; F62-R66 HydrophobicContact CD1-CG 3.7Å; F62-R66 HydrophobicContact CE1-CG 4.21Å; F62-R66 CarbonylContact O-C 3.6Å; F62-R66 VanDerWaalsContact O-CA 3.32Å; F62-R66 WeakPolarHBondContact O-CA 3.37Å; F62-R66 VanDerWaalsContact O-CB 3.28Å; F62-R66 WeakPolarHBondContact O-CB 3.36Å; F62-R66 PolarHBondContact O-N 2.96Å; F62-G67 PolarHBondContact O-N 2.96Å; F62-I68 HydrophobicContact CD1-CD1 3.93Å; F62-I68 PolarHBondContact O-N 2.99Å; F62-L137 HydrophobicContact CD1-CD1 4.31Å; F62-L137 HydrophobicContact CE1-CD1 3.78Å; F62-I141 HydrophobicContact CZ-CG1 4.05Å; F62-L144 HydrophobicContact CE2-CD1 3.38Å; F62-L144 HydrophobicContact CZ-CD1 3.5Å
63	K	64.9	Low	56.4	Low	122 Å²	122	52.8 Å²	52.8	53%	0.53	27%	0.266	S	S	.	.	H	α-helix	trans	-69.7	-38.7	175.4	-172.4	172.5	178	177.3	0	112.8	R59 N60 L61 G67 I68	R59-K63 PolarHBondContact O-N 2.95Å; N60-K63 PolarHBondContact O-N 2.8Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.5Å; K63-G67 WeakPolarHBondContact O-CA 3.48Å; K63-G67 PolarHBondContact O-N 2.81Å; K63-I68 WeakPolarHBondContact CA-O 3.46Å; K63-I68 WeakPolarHBondContact CB-O 3.1Å
64	E	62.9	Low	55.5	Low	56 Å²	56	53.5 Å²	53.5	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-75.8	-58.6	-179.5	-160.2	172.8	170.7	0	0	110.7	N60 L61 L97 V98	N60-E64 WeakPolarHBondContact O-CB 3.41Å; N60-E64 PolarHBondContact O-N 2.76Å; L61-E64 PolarHBondContact O-N 3.02Å; E64-L97 CarbonylContact C-O 3.27Å; E64-L97 HydrophobicContact CB-CB 4.42Å; E64-L97 HydrophobicContact CG-CB 3.68Å; E64-V98 HydrophobicContact CG-CG2 3.9Å
65	L	59.6	Low	54.3	Low	4 Å²	4	59 Å²	59	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-55.8	-179.6	-74.6	164.1	0	0	0	113.1	L61 L97 I100 P173 L174	L61-L65 HydrophobicContact CB-CD1 4.46Å; L61-L65 WeakPolarHBondContact O-CB 3.31Å; L61-L65 PolarHBondContact O-N 3.4Å; L65-L97 WeakPolarHBondContact CA-O 3.36Å; L65-L97 HydrophobicContact CD1-CD2 4.25Å; L65-L97 HydrophobicContact CD2-CB 4.07Å; L65-L97 HydrophobicContact CD2-CD2 3.59Å; L65-L97 HydrophobicContact CD2-CG 4.43Å; L65-L97 HydrophobicContact CG-CB 4.22Å; L65-L97 HydrophobicContact CG-CD2 3.97Å; L65-L97 PolarHBondContact N-O 2.99Å; L65-L97 VanDerWaalsContact N-O 3.14Å; L65-I100 CarbonylContact C-O 3.58Å; L65-I100 HydrophobicContact CD2-CD1 4.37Å; L65-I100 CarbonylContact O-C 3.58Å; L65-I100 PolarHBondContact O-N 3.37Å; L65-I100 VanDerWaalsContact O-N 3.13Å; L65-P173 HydrophobicContact CD1-CB 4.39Å; L65-P173 HydrophobicContact CD2-CB 4.3Å; L65-L174 HydrophobicContact CD1-CD2 3.55Å; L65-L174 HydrophobicContact CD1-CG 3.93Å
66	R	61.2	Low	53.2	Low	5 Å²	5	67 Å²	67	2%	0.019	35%	0.346	C	S	.	.	S	Bend	trans	-100.1	2.6	-166.4	-47.6	-58.2	-161.4	-129.9	-0.9	113.7	F62 I68 I100 F101 E140 D170	F62-R66 HydrophobicContact CD1-CB 4.25Å; F62-R66 HydrophobicContact CD1-CG 3.7Å; F62-R66 HydrophobicContact CE1-CG 4.21Å; F62-R66 CarbonylContact O-C 3.6Å; F62-R66 VanDerWaalsContact O-CA 3.32Å; F62-R66 WeakPolarHBondContact O-CA 3.37Å; F62-R66 VanDerWaalsContact O-CB 3.28Å; F62-R66 WeakPolarHBondContact O-CB 3.36Å; F62-R66 PolarHBondContact O-N 2.96Å; R66-I68 HydrophobicContact CB-CD1 3.91Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 WeakPolarHBondContact O-CG1 3.33Å; R66-I68 PolarHBondContact O-N 3.32Å; R66-I100 WeakPolarHBondContact CA-O 3.46Å; R66-I100 WeakPolarHBondContact CD-O 3.33Å; R66-F101 CarbonylContact C-O 3.45Å; R66-E140 IonicContact CZ-OE2 3.4Å; R66-E140 IonicContact NE-OE2 3.69Å; R66-E140 PolarHBondContact NE-OE2 2.84Å; R66-E140 IonicContact NH2-OE2 2.72Å; R66-E140 PolarHBondContact NH2-OE2 2.77Å; R66-D170 PolarHBondContact NH1-O 3.39Å; R66-D170 PolarHBondContact NH2-O 3.19Å
67	G	55.2	Low	52.1	Low	25 Å²	25	67.4 Å²	67.4	26%	0.258	34%	0.338	S	S	.	.			trans	65.4	14.3	-179	0	0	0	0	0	115.2	F62 K63 S69 F103	F62-G67 PolarHBondContact O-N 2.96Å; K63-G67 WeakPolarHBondContact O-CA 3.48Å; K63-G67 PolarHBondContact O-N 2.81Å; G67-S69 PolarHBondContact O-N 3.4Å; G67-F103 WeakPolarHBondContact O-CD2 3.47Å
68	I	55.4	Low	50.4	Low	4 Å²	4	72 Å²	72	2%	0.021	36%	0.361	C	S	.	.			trans	-82.8	103.6	-172.1	-52	178.5	0	0	0	110.3	F62 K63 R66 L71 S104 L137	F62-I68 HydrophobicContact CD1-CD1 3.93Å; F62-I68 PolarHBondContact O-N 2.99Å; K63-I68 WeakPolarHBondContact CA-O 3.46Å; K63-I68 WeakPolarHBondContact CB-O 3.1Å; R66-I68 HydrophobicContact CB-CD1 3.91Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 WeakPolarHBondContact O-CG1 3.33Å; R66-I68 PolarHBondContact O-N 3.32Å; I68-L71 HydrophobicContact CG2-CD1 3.94Å; I68-L71 HydrophobicContact CG2-CD2 3.43Å; I68-L71 VanDerWaalsContact CG2-CD2 3.43Å; I68-L71 HydrophobicContact CG2-CG 3.59Å; I68-S104 WeakPolarHBondContact CD1-O 3.33Å; I68-S104 VanDerWaalsContact CG1-O 3.3Å; I68-S104 WeakPolarHBondContact CG1-O 3.4Å; I68-S104 WeakPolarHBondContact CG2-O 3.39Å; I68-L137 HydrophobicContact CD1-CD1 3.76Å; I68-L137 HydrophobicContact CD1-CD2 3.96Å
69	S	49.1	Very low	49.1	Very low	44 Å²	44	77.7 Å²	77.7	31%	0.308	40%	0.401	S	S	.	.			trans	-91.5	-40.2	-174.6	60.6	0	0	0	0	114.2	G67 F103	G67-S69 PolarHBondContact O-N 3.4Å; S69-F103 WeakPolarHBondContact OG-CE1 3.33Å; S69-F103 WeakPolarHBondContact OG-CZ 3.07Å
70	K	47.8	Very low	47.6	Very low	159 Å²	159	73.5 Å²	73.5	69%	0.691	39%	0.386	S	S	*	.			trans	-109.6	121.7	176.3	-72.9	-170.8	176.2	-173.9	0	110.4
71	L	46.5	Very low	45.8	Very low	6 Å²	6	77.2 Å²	77.2	3%	0.031	39%	0.393	C	S	.	.			trans	-134.2	117.3	174.2	-68.6	164.9	0	0	0	102.3	F51 R59 I68 V106	F51-L71 HydrophobicContact CD1-CD1 4.49Å; F51-L71 HydrophobicContact CD2-CB 3.88Å; F51-L71 HydrophobicContact CD2-CD1 3.85Å; F51-L71 HydrophobicContact CD2-CD2 4.39Å; F51-L71 HydrophobicContact CD2-CG 4.21Å; F51-L71 HydrophobicContact CE1-CD1 4.2Å; F51-L71 HydrophobicContact CE2-CB 3.81Å; F51-L71 HydrophobicContact CE2-CD1 3.5Å; F51-L71 VanDerWaalsContact CE2-CD1 3.5Å; F51-L71 HydrophobicContact CE2-CD2 3.48Å; F51-L71 VanDerWaalsContact CE2-CD2 3.48Å; F51-L71 HydrophobicContact CE2-CG 3.73Å; F51-L71 HydrophobicContact CG-CD1 4.35Å; F51-L71 HydrophobicContact CZ-CD1 3.69Å; F51-L71 HydrophobicContact CZ-CD2 3.89Å; F51-L71 HydrophobicContact CZ-CG 4.27Å; R59-L71 HydrophobicContact CG-CD1 4.21Å; I68-L71 HydrophobicContact CG2-CD1 3.94Å; I68-L71 HydrophobicContact CG2-CD2 3.43Å; I68-L71 VanDerWaalsContact CG2-CD2 3.43Å; I68-L71 HydrophobicContact CG2-CG 3.59Å; L71-V106 HydrophobicContact CD2-CB 3.66Å; L71-V106 HydrophobicContact CD2-CG2 3.19Å
72	Y	39.4	Very low	44.2	Very low	137 Å²	137	82 Å²	82	54%	0.537	42%	0.418	S	S	.	.			trans	-48	141.9	-155.9	-92.7	-94.1	0	0	0	114.9	D108	Y72-D108 PolarHBondContact OH-OD1 2.9Å
73	D	35.9	Very low	42.9	Very low	138 Å²	138	86.7 Å²	86.7	74%	0.738	44%	0.442	S	S	*	.			trans	-90.6	109.6	174.1	-56.2	-55.6	0	0	0	108.5	R59	R59-D73 IonicContact NH2-OD1 3.85Å
74	G	34	Very low	41.6	Very low	43 Å²	43	82.8 Å²	82.8	44%	0.443	43%	0.427	S	S	.	.			trans	-119.7	119.7	-178.7	0	0	0	0	0	111	Y77	G74-Y77 WeakPolarHBondContact O-CD1 3.37Å; G74-Y77 WeakPolarHBondContact O-CE1 3.21Å; G74-Y77 VanDerWaalsContact O-CZ 3.26Å
75	S	31	Very low	40	Very low	117 Å²	117	87.5 Å²	87.5	82%	0.818	44%	0.443	S	S	*	.	S	Bend	trans	-57.7	131.8	-175.8	50.9	0	0	0	0	116.1
76	F	32.3	Very low	38.7	Very low	180 Å²	180	93.9 Å²	93.9	79%	0.789	48%	0.476	S	S	*	.			trans	170.1	17.9	137.6	-177.6	-112.1	0	0	0	113
77	Y	33.4	Very low	37.6	Very low	86 Å²	86	102.8 Å²	102.8	34%	0.337	51%	0.51	S	S	.	.			trans	-126.5	102	-137.1	-60.7	173.8	0	0	0	114.5	E48 G74	E48-Y77 HydrophobicContact CB-CD2 3.61Å; E48-Y77 HydrophobicContact CB-CE1 4.4Å; E48-Y77 HydrophobicContact CB-CE2 3.11Å; E48-Y77 HydrophobicContact CB-CG 4.5Å; E48-Y77 HydrophobicContact CG-CE2 4.39Å; E48-Y77 WeakPolarHBondContact O-CA 3.37Å; E48-Y77 WeakPolarHBondContact O-CB 3.41Å; E48-Y77 WeakPolarHBondContact O-CD2 3.15Å; G74-Y77 WeakPolarHBondContact O-CD1 3.37Å; G74-Y77 WeakPolarHBondContact O-CE1 3.21Å; G74-Y77 VanDerWaalsContact O-CZ 3.26Å
78	Q	29.4	Very low	36.9	Very low	181 Å²	181	106.2 Å²	106.2	85%	0.846	52%	0.518	S	S	*	.			trans	-137.8	-5.5	179.6	-79	-172.1	-10.7	0	0	118.4
79	S	35.6	Very low	35.5	Very low	120 Å²	120	110.1 Å²	110.1	84%	0.839	55%	0.545	S	S	*	.	S	Bend	trans	-109.3	-8.1	-162.3	-54.4	0	0	0	0	117.6	E49	E49-S79 PolarHBondContact OE2-N 3.03Å
80	L	31.3	Very low	34.8	Very low	13 Å²	13	113.8 Å²	113.8	7%	0.068	57%	0.567	C	S	.	*			trans	-99.5	-15.3	-171.9	-173.5	54.2	0	0	0	114.5	E47 E49 T50 L82 I83 I84	E47-L80 HydrophobicContact CB-CD2 3.6Å; E47-L80 HydrophobicContact CG-CB 4.33Å; E47-L80 HydrophobicContact CG-CD1 3.59Å; E47-L80 HydrophobicContact CG-CD2 3.6Å; E47-L80 HydrophobicContact CG-CG 3.99Å; E47-L80 WeakPolarHBondContact OE1-CD1 3.39Å; E49-L80 HydrophobicContact CB-CB 4.15Å; E49-L80 WeakPolarHBondContact OE2-CA 3.2Å; E49-L80 PolarHBondContact OE2-N 3.41Å; T50-L80 HydrophobicContact CG2-CD2 4.4Å; L80-L82 PolarHBondContact O-N 2.78Å; L80-I83 HydrophobicContact CD1-CB 4.26Å; L80-I83 HydrophobicContact CD1-CD1 4.32Å; L80-I83 PolarHBondContact O-N 3.43Å; L80-I83 VanDerWaalsContact O-N 3.17Å; L80-I84 HydrophobicContact CD2-CD1 3.98Å; L80-I84 HydrophobicContact CG-CD1 4.25Å
81	W	29.1	Very low	33.9	Very low	175 Å²	175	116.9 Å²	116.9	66%	0.663	58%	0.576	S	S	*	*	H	α-helix	trans	-40.9	-38.5	-172.3	-175.1	77.7	0	0	0	115.2	E49	E49-W81 WeakPolarHBondContact OE1-CA 3.17Å; E49-W81 PolarHBondContact OE1-N 3.48Å; E49-W81 PolarHBondContact OE2-N 3.45Å
82	L	29.1	Very low	33.4	Very low	107 Å²	107	126.9 Å²	126.9	56%	0.56	61%	0.614	S	S	*	*	H	α-helix	trans	-78.7	-33.9	-171	-158.7	66.1	0	0	0	114.7	L80 L86	L80-L82 PolarHBondContact O-N 2.78Å; L82-L86 HydrophobicContact CG-CD1 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 3.32Å
83	I	37.3	Very low	33.3	Very low	98 Å²	98	130.5 Å²	130.5	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-75.8	-38.4	-171.2	-61.3	178.6	0	0	0	111.5	L80	L80-I83 HydrophobicContact CD1-CB 4.26Å; L80-I83 HydrophobicContact CD1-CD1 4.32Å; L80-I83 PolarHBondContact O-N 3.43Å; L80-I83 VanDerWaalsContact O-N 3.17Å
84	I	37.6	Very low	32.9	Very low	41 Å²	41	132.8 Å²	132.8	21%	0.21	63%	0.63	C	S	.	*	H	α-helix	trans	-74.1	-37.2	-180	-63.1	178.2	0	0	0	110.9	T50 P55 L80 L86 R87 F88	T50-I84 HydrophobicContact CG2-CD1 3.98Å; P55-I84 HydrophobicContact CB-CG2 3.73Å; P55-I84 HydrophobicContact CG-CG2 3.99Å; L80-I84 HydrophobicContact CD2-CD1 3.98Å; L80-I84 HydrophobicContact CG-CD1 4.25Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.37Å; I84-R87 PolarHBondContact O-N 3.34Å; I84-F88 PolarHBondContact O-N 2.83Å
85	Y	29.6	Very low	32.7	Very low	154 Å²	154	139.1 Å²	139.1	60%	0.604	65%	0.645	S	S	*	*	H	α-helix	trans	-58.3	-40	177	-162.6	-87.1	0	0	0	111.8	R87	Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-R87 PolarHBondContact O-N 2.76Å
86	L	33.5	Very low	32.6	Very low	138 Å²	138	144 Å²	144	72%	0.723	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-14.5	-177.6	-70.1	172.2	0	0	0	115	L82 I84	L82-L86 HydrophobicContact CG-CD1 4.41Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 3.32Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.37Å
87	R	37.9	Very low	32.4	Very low	193 Å²	193	136.4 Å²	136.4	73%	0.728	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-20	-176	-156.4	168.8	-168.8	122.2	10.9	115.5	I84 Y85	I84-R87 PolarHBondContact O-N 3.34Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-R87 PolarHBondContact O-N 2.76Å
88	F	39.1	Very low	32.1	Very low	97 Å²	97	137.7 Å²	137.7	43%	0.425	63%	0.631	S	S	.	*	S	Bend	trans	-129.4	26.2	-168.5	-87.1	-78.3	0	0	0	116.2	I84	I84-F88 PolarHBondContact O-N 2.83Å
89	C	26.6	Very low	32	Very low	85 Å²	85	138.3 Å²	138.3	57%	0.574	63%	0.634	S	S	*	*			trans	-129.7	100.2	171.3	-158.2	0	0	0	0	113.2
90	P	33.8	Very low	31.6	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	61%	0.608	S	S	*	*			trans	-125	101.8	138.1	31.5	-20.8	0	0	0	110.8	R92	P90-R92 PolarHBondContact O-N 3.41Å
91	Y	30.6	Very low	31.5	Very low	224 Å²	224	140 Å²	140	88%	0.878	63%	0.628	S	S	*	*			trans	-4.6	104.8	159.6	-157.1	-87.5	0	0	0	117.2
92	R	35.6	Very low	31.6	Very low	217 Å²	217	140.7 Å²	140.7	82%	0.819	64%	0.636	S	S	*	*			trans	-161.7	130.7	158.7	-109	159.9	-158	-131.1	1.3	112.4	P90	P90-R92 PolarHBondContact O-N 3.41Å
93	R	36.5	Very low	31.7	Very low	213 Å²	213	142.3 Å²	142.3	80%	0.804	64%	0.638	S	S	*	*			trans	67	73.1	159.5	-56.5	-179	179.5	175.2	-1.4	119.4	K95	R93-K95 PolarHBondContact O-N 3.45Å
94	K	28.6	Very low	31.8	Very low	186 Å²	186	139.9 Å²	139.9	81%	0.809	63%	0.63	S	S	*	*			trans	-89.5	78.7	158	-69.4	-174.8	174.6	-174.3	0	111.7
95	K	28.8	Very low	32.1	Very low	175 Å²	175	142 Å²	142	76%	0.761	64%	0.641	S	S	*	*	S	Bend	trans	-150.1	1.4	178.6	-123.4	178.6	-176.7	-175.9	0	119.7	R93	R93-K95 PolarHBondContact O-N 3.45Å
96	Y	28.2	Very low	33.2	Very low	219 Å²	219	134.7 Å²	134.7	86%	0.859	61%	0.613	S	S	*	*	S	Bend	trans	-150.8	60.1	-177.8	-65.5	-78.1	0	0	0	113.3
97	L	29.1	Very low	34.4	Very low	22 Å²	22	130.9 Å²	130.9	12%	0.115	59%	0.592	C	S	.	*			trans	-141	19.3	-172.4	-66.6	173.2	0	0	0	115.7	L61 E64 L65 P173	L61-L97 HydrophobicContact CD2-CD1 3.77Å; E64-L97 CarbonylContact C-O 3.27Å; E64-L97 HydrophobicContact CB-CB 4.42Å; E64-L97 HydrophobicContact CG-CB 3.68Å; L65-L97 WeakPolarHBondContact CA-O 3.36Å; L65-L97 HydrophobicContact CD1-CD2 4.25Å; L65-L97 HydrophobicContact CD2-CB 4.07Å; L65-L97 HydrophobicContact CD2-CD2 3.59Å; L65-L97 HydrophobicContact CD2-CG 4.43Å; L65-L97 HydrophobicContact CG-CB 4.22Å; L65-L97 HydrophobicContact CG-CD2 3.97Å; L65-L97 PolarHBondContact N-O 2.99Å; L65-L97 VanDerWaalsContact N-O 3.14Å; L97-P173 HydrophobicContact CD2-CB 4.41Å
98	V	27.1	Very low	35.5	Very low	112 Å²	112	126.1 Å²	126.1	68%	0.679	58%	0.582	S	S	*	*			trans	-118.9	47.3	-169.2	-161	0	0	0	0	114.7	E64	E64-V98 HydrophobicContact CG-CG2 3.9Å
99	Q	26.6	Very low	36.8	Very low	194 Å²	194	121.9 Å²	121.9	91%	0.907	56%	0.563	S	S	*	*			trans	-144.2	8	179.5	-78.9	-162.8	-17.2	0	0	117.4
100	I	28.4	Very low	38.7	Very low	56 Å²	56	118 Å²	118	29%	0.287	54%	0.536	S	S	.	.	S	Bend	trans	-121.6	91.9	-166.9	-48.1	-179.2	0	0	0	112.6	L65 R66	L65-I100 CarbonylContact C-O 3.58Å; L65-I100 HydrophobicContact CD2-CD1 4.37Å; L65-I100 CarbonylContact O-C 3.58Å; L65-I100 PolarHBondContact O-N 3.37Å; L65-I100 VanDerWaalsContact O-N 3.13Å; R66-I100 WeakPolarHBondContact CA-O 3.46Å; R66-I100 WeakPolarHBondContact CD-O 3.33Å
101	F	29.6	Very low	40.3	Very low	114 Å²	114	114.3 Å²	114.3	50%	0.5	51%	0.51	S	S	.	.			trans	97	142.1	179.7	-69.5	-85.4	0	0	0	117.7	R66 D170	R66-F101 CarbonylContact C-O 3.45Å; F101-D170 WeakPolarHBondContact CE2-OD2 3.19Å
102	K	29.7	Very low	42.3	Very low	188 Å²	188	109.2 Å²	109.2	82%	0.817	49%	0.492	S	S	*	.			trans	-72.7	147.2	175	-65.7	176.9	177.6	177.8	0	110.3	S104	K102-S104 PolarHBondContact O-N 3.4Å
103	F	31.7	Very low	44.1	Very low	141 Å²	141	98.9 Å²	98.9	62%	0.618	45%	0.453	S	S	*	.			trans	-28.7	86.2	170.9	-132.7	-93.6	0	0	0	114.2	G67 S69 I105	G67-F103 WeakPolarHBondContact O-CD2 3.47Å; S69-F103 WeakPolarHBondContact OG-CE1 3.33Å; S69-F103 WeakPolarHBondContact OG-CZ 3.07Å; F103-I105 HydrophobicContact CD1-CG1 4.31Å; F103-I105 PolarHBondContact O-N 2.92Å
104	S	39.9	Very low	45.8	Very low	47 Å²	47	88.8 Å²	88.8	33%	0.329	42%	0.415	S	S	.	.			trans	-101.8	85.9	-176.6	-143.9	0	0	0	0	109.3	I68 K102 V106	I68-S104 WeakPolarHBondContact CD1-O 3.33Å; I68-S104 VanDerWaalsContact CG1-O 3.3Å; I68-S104 WeakPolarHBondContact CG1-O 3.4Å; I68-S104 WeakPolarHBondContact CG2-O 3.39Å; K102-S104 PolarHBondContact O-N 3.4Å; S104-V106 PolarHBondContact O-N 3.35Å
105	I	44.3	Very low	47.8	Very low	87 Å²	87	82.8 Å²	82.8	45%	0.446	39%	0.392	S	S	.	.			trans	-58.3	129.1	171	-60.5	170.4	0	0	0	107.2	F103 L107	F103-I105 HydrophobicContact CD1-CG1 4.31Å; F103-I105 PolarHBondContact O-N 2.92Å; I105-L107 PolarHBondContact O-N 3.33Å; I105-L107 VanDerWaalsContact O-N 3.12Å
106	V	52.4	Low	50	Low	0 Å²	0	76 Å²	76	0%	0	37%	0.366	C	S	.	.			trans	-65.7	114.7	172.1	161.2	0	0	0	0	107.8	Y52 L71 S104 Q110 L137 I141	Y52-V106 HydrophobicContact CE2-CG1 4.27Å; Y52-V106 WeakPolarHBondContact OH-CG1 3.39Å; L71-V106 HydrophobicContact CD2-CB 3.66Å; L71-V106 HydrophobicContact CD2-CG2 3.19Å; S104-V106 PolarHBondContact O-N 3.35Å; V106-Q110 HydrophobicContact CG1-CB 3.82Å; V106-L137 HydrophobicContact CG2-CD2 3.9Å; V106-I141 HydrophobicContact CG2-CD1 4.09Å
107	L	57.5	Low	52.2	Low	57 Å²	57	69.2 Å²	69.2	30%	0.298	35%	0.351	S	S	.	.			trans	-71.6	149.9	-177.1	-62.9	170.9	0	0	0	110.2	I105 W109 Q110 D111 G133	I105-L107 PolarHBondContact O-N 3.33Å; I105-L107 VanDerWaalsContact O-N 3.12Å; L107-W109 HydrophobicContact CB-CG 4.42Å; L107-W109 PolarHBondContact O-N 3.46Å; L107-Q110 HydrophobicContact CB-CG 4.39Å; L107-Q110 WeakPolarHBondContact O-CA 3.49Å; L107-Q110 VanDerWaalsContact O-CB 3.3Å; L107-Q110 WeakPolarHBondContact O-CB 3.2Å; L107-Q110 PolarHBondContact O-N 2.94Å; L107-D111 PolarHBondContact O-N 3.31Å; L107-G133 WeakPolarHBondContact CD1-O 3.45Å
108	D	61.8	Low	54.7	Low	94 Å²	94	68.1 Å²	68.1	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-51.4	-31.9	-177.8	-51.9	4	0	0	0	113.5	Y72 K112	Y72-D108 PolarHBondContact OH-OD1 2.9Å; D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 3.01Å; D108-K112 VanDerWaalsContact O-N 3.17Å
109	W	66.8	Low	57	Low	8 Å²	8	62.9 Å²	62.9	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-35.5	176.9	77.9	-105	0	0	0	112.3	L107 D111 K112 V113 L129 G133 L138 F291 H293	L107-W109 HydrophobicContact CB-CG 4.42Å; L107-W109 PolarHBondContact O-N 3.46Å; W109-D111 VanDerWaalsContact C-N 3.34Å; W109-K112 PolarHBondContact O-N 3.21Å; W109-V113 HydrophobicContact CE3-CG2 3.97Å; W109-V113 HydrophobicContact CZ3-CG2 4.07Å; W109-V113 WeakPolarHBondContact O-CG2 3.22Å; W109-V113 PolarHBondContact O-N 2.89Å; W109-L129 HydrophobicContact CD2-CD1 3.91Å; W109-L129 HydrophobicContact CE3-CD1 3.34Å; W109-L129 HydrophobicContact CH2-CD1 3.26Å; W109-L129 HydrophobicContact CZ2-CD1 3.78Å; W109-L129 HydrophobicContact CZ3-CD1 3Å; W109-L129 HydrophobicContact CZ3-CG 4.47Å; W109-G133 WeakPolarHBondContact CZ2-O 3.39Å; W109-G133 PolarHBondContact NE1-O 2.97Å; W109-L138 HydrophobicContact CH2-CB 4.38Å; W109-L138 HydrophobicContact CH2-CD2 3.84Å; W109-L138 HydrophobicContact CZ3-CD2 3.53Å; W109-F291 HydrophobicContact CE3-CE1 4.3Å; W109-H293 HydrophobicContact CB-CB 4.49Å
110	Q	65.8	Low	59.4	Low	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-40.4	178.4	-64.9	172.4	13	0	0	110	V106 L107 V113 L114	V106-Q110 HydrophobicContact CG1-CB 3.82Å; L107-Q110 HydrophobicContact CB-CG 4.39Å; L107-Q110 WeakPolarHBondContact O-CA 3.49Å; L107-Q110 VanDerWaalsContact O-CB 3.3Å; L107-Q110 WeakPolarHBondContact O-CB 3.2Å; L107-Q110 PolarHBondContact O-N 2.94Å; Q110-V113 PolarHBondContact O-N 3.45Å; Q110-L114 WeakPolarHBondContact O-CB 3.32Å; Q110-L114 WeakPolarHBondContact O-CD1 3.34Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.45Å
111	D	67.1	Low	61.7	Low	45 Å²	45	59 Å²	59	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-49.1	173.8	-170.6	78.8	0	0	0	111.6	Y52 L107 W109 V113 L114 N115	Y52-D111 WeakPolarHBondContact CE1-OD1 3.3Å; Y52-D111 VanDerWaalsContact CZ-OD1 3.3Å; Y52-D111 WeakPolarHBondContact OH-CB 3.47Å; Y52-D111 PolarHBondContact OH-OD1 2.72Å; L107-D111 PolarHBondContact O-N 3.31Å; W109-D111 VanDerWaalsContact C-N 3.34Å; D111-V113 VanDerWaalsContact C-N 3.28Å; D111-V113 PolarHBondContact O-N 3.33Å; D111-L114 PolarHBondContact O-N 3.31Å; D111-L114 VanDerWaalsContact O-N 3.14Å; D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.86Å; D111-N115 PolarHBondContact O-ND2 3.49Å; D111-N115 PolarHBondContact OD1-ND2 3.35Å; D111-N115 VanDerWaalsContact OD1-ND2 3.16Å; D111-N115 PolarHBondContact OD2-ND2 3.25Å
112	K	72.6	Confident	64.2	Low	117 Å²	117	54.7 Å²	54.7	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-55.6	-39.2	174.6	-71.2	172.4	-174.2	175.4	0	112.9	D108 W109 C116 F291	D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 3.01Å; D108-K112 VanDerWaalsContact O-N 3.17Å; W109-K112 PolarHBondContact O-N 3.21Å; K112-C116 WeakPolarHBondContact O-CB 3.18Å; K112-C116 PolarHBondContact O-N 3.29Å; K112-C116 VanDerWaalsContact O-N 3.15Å; K112-F291 HydrophobicContact CB-CE2 4.05Å; K112-F291 HydrophobicContact CB-CZ 4.09Å
113	V	73.8	Confident	67	Low	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.2	-49	175.2	177.2	0	0	0	0	111.2	W109 Q110 D111 N115 C116 V119 L125 I127 L138 F291	W109-V113 HydrophobicContact CE3-CG2 3.97Å; W109-V113 HydrophobicContact CZ3-CG2 4.07Å; W109-V113 WeakPolarHBondContact O-CG2 3.22Å; W109-V113 PolarHBondContact O-N 2.89Å; Q110-V113 PolarHBondContact O-N 3.45Å; D111-V113 VanDerWaalsContact C-N 3.28Å; D111-V113 PolarHBondContact O-N 3.33Å; V113-N115 PolarHBondContact O-N 2.89Å; V113-C116 WeakPolarHBondContact O-CB 3.23Å; V113-C116 PolarHBondContact O-N 3.37Å; V113-V119 HydrophobicContact CG1-CG2 4.33Å; V113-V119 WeakPolarHBondContact O-CG2 3.28Å; V113-L125 HydrophobicContact CG1-CD2 3.94Å; V113-I127 HydrophobicContact CG1-CD1 3.87Å; V113-I127 HydrophobicContact CG1-CG1 4.36Å; V113-L138 HydrophobicContact CB-CD2 4.16Å; V113-L138 HydrophobicContact CG1-CD1 4.34Å; V113-L138 HydrophobicContact CG1-CD2 3.87Å; V113-L138 HydrophobicContact CG2-CD2 4.41Å; V113-F291 HydrophobicContact CG2-CB 4.49Å; V113-F291 HydrophobicContact CG2-CD1 3.37Å; V113-F291 HydrophobicContact CG2-CD2 3.83Å; V113-F291 HydrophobicContact CG2-CE1 3.3Å; V113-F291 HydrophobicContact CG2-CE2 3.77Å; V113-F291 HydrophobicContact CG2-CG 3.63Å; V113-F291 HydrophobicContact CG2-CZ 3.51Å
114	L	71.7	Confident	69.9	Low	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-26.4	-175.4	-74.2	160.1	0	0	0	113.3	Y52 Q110 D111 L138 I141 L142	Y52-L114 HydrophobicContact CD1-CB 3.36Å; Y52-L114 HydrophobicContact CD1-CD1 3.93Å; Y52-L114 HydrophobicContact CD1-CG 4.13Å; Y52-L114 HydrophobicContact CD2-CD1 3.59Å; Y52-L114 HydrophobicContact CD2-CG 4.49Å; Y52-L114 HydrophobicContact CE1-CB 3.53Å; Y52-L114 HydrophobicContact CE1-CD1 3.85Å; Y52-L114 HydrophobicContact CE1-CG 4.3Å; Y52-L114 HydrophobicContact CE2-CD1 3.46Å; Y52-L114 VanDerWaalsContact CE2-CD1 3.46Å; Y52-L114 HydrophobicContact CG-CB 3.93Å; Y52-L114 HydrophobicContact CG-CD1 3.81Å; Y52-L114 HydrophobicContact CG-CD2 4.36Å; Y52-L114 HydrophobicContact CG-CG 4.24Å; Q110-L114 WeakPolarHBondContact O-CB 3.32Å; Q110-L114 WeakPolarHBondContact O-CD1 3.34Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.45Å; D111-L114 PolarHBondContact O-N 3.31Å; D111-L114 VanDerWaalsContact O-N 3.14Å; L114-L138 HydrophobicContact CD1-CD1 3.69Å; L114-L138 HydrophobicContact CD2-CD1 3.58Å; L114-L138 HydrophobicContact CG-CD1 3.41Å; L114-L138 VanDerWaalsContact CG-CD1 3.41Å; L114-I141 HydrophobicContact CD1-CD1 4.21Å; L114-I141 HydrophobicContact CD1-CG2 3.96Å; L114-I141 HydrophobicContact CD2-CG2 3.71Å; L114-L142 HydrophobicContact CD2-CD2 3.79Å; L114-L142 HydrophobicContact CD2-CG 4.04Å
115	N	71.7	Confident	72.3	Confident	61 Å²	61	43 Å²	43	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.3	175	-69.3	-36.9	0	0	0	113.8	D111 V113 K120	D111-N115 WeakPolarHBondContact O-CB 3.32Å; D111-N115 PolarHBondContact O-N 2.86Å; D111-N115 PolarHBondContact O-ND2 3.49Å; D111-N115 PolarHBondContact OD1-ND2 3.35Å; D111-N115 VanDerWaalsContact OD1-ND2 3.16Å; D111-N115 PolarHBondContact OD2-ND2 3.25Å; V113-N115 PolarHBondContact O-N 2.89Å; N115-K120 WeakPolarHBondContact O-CE 3.33Å
116	C	73.9	Confident	74.4	Confident	32 Å²	32	38.8 Å²	38.8	22%	0.216	22%	0.217	C	C	.	.	S	Bend	trans	-62.8	146.3	178.4	-173.3	0	0	0	0	112.2	K112 V113 A118 V119 K120	K112-C116 WeakPolarHBondContact O-CB 3.18Å; K112-C116 PolarHBondContact O-N 3.29Å; K112-C116 VanDerWaalsContact O-N 3.15Å; V113-C116 WeakPolarHBondContact O-CB 3.23Å; V113-C116 PolarHBondContact O-N 3.37Å; C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 3.16Å; C116-V119 PolarHBondContact O-N 3.07Å; C116-V119 VanDerWaalsContact O-N 3.11Å; C116-K120 PolarHBondContact O-N 2.83Å; C116-K120 VanDerWaalsContact O-N 3.1Å
117	S	76	Confident	76.1	Confident	76 Å²	76	38.8 Å²	38.8	53%	0.531	22%	0.217	S	C	.	.	H	α-helix	trans	-49.7	-46	177.5	46.2	0	0	0	0	112.4	V119 K120 A121	S117-V119 PolarHBondContact O-N 2.98Å; S117-K120 PolarHBondContact O-N 3.37Å; S117-A121 WeakPolarHBondContact O-CB 3.48Å; S117-A121 PolarHBondContact O-N 2.82Å
118	A	79.6	Confident	77.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-43.6	-179.6	0	0	0	0	0	112.6	C116 G122 Q123 L125 Q268 D289	C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 3.16Å; A118-G122 CarbonylContact O-C 3.55Å; A118-G122 PolarHBondContact O-N 3.49Å; A118-Q123 HydrophobicContact CB-CB 4.24Å; A118-Q123 PolarHBondContact O-N 3.22Å; A118-L125 HydrophobicContact CB-CB 4.39Å; A118-L125 HydrophobicContact CB-CD1 4.22Å; A118-Q268 PolarHBondContact O-NE2 3.05Å; A118-Q268 VanDerWaalsContact O-NE2 3.14Å; A118-D289 HydrophobicContact CB-CB 4.06Å
119	V	77	Confident	78.1	Confident	2 Å²	2	32 Å²	32	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-45.9	177.8	178.9	0	0	0	0	110.9	V113 C116 S117 G122 L125 L142 R150	V113-V119 HydrophobicContact CG1-CG2 4.33Å; V113-V119 WeakPolarHBondContact O-CG2 3.28Å; C116-V119 PolarHBondContact O-N 3.07Å; C116-V119 VanDerWaalsContact O-N 3.11Å; S117-V119 PolarHBondContact O-N 2.98Å; V119-G122 PolarHBondContact O-N 2.84Å; V119-L125 HydrophobicContact CG2-CD2 3.66Å; V119-L142 HydrophobicContact CG1-CD2 3.74Å; V119-L142 HydrophobicContact CG2-CD2 4.47Å; V119-R150 PolarHBondContact O-NH2 2.75Å
120	K	75.5	Confident	78.3	Confident	98 Å²	98	33.3 Å²	33.3	43%	0.426	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-50.1	178	-66.2	-165.2	-178.8	-166.4	0	111.4	E48 N115 C116 S117 G122 R150	E48-K120 IonicContact OE1-NZ 2.63Å; E48-K120 PolarHBondContact OE1-NZ 2.85Å; N115-K120 WeakPolarHBondContact O-CE 3.33Å; C116-K120 PolarHBondContact O-N 2.83Å; C116-K120 VanDerWaalsContact O-N 3.1Å; S117-K120 PolarHBondContact O-N 3.37Å; K120-G122 VanDerWaalsContact C-N 3.3Å; K120-G122 PolarHBondContact O-N 3.13Å; K120-R150 PolarHBondContact O-NH2 2.86Å
121	A	77.7	Confident	78.5	Confident	71 Å²	71	38 Å²	38	59%	0.587	22%	0.219	S	C	*	.	H	α-helix	trans	-71.8	-16.2	-178.8	0	0	0	0	0	114.6	S117 Q123	S117-A121 WeakPolarHBondContact O-CB 3.48Å; S117-A121 PolarHBondContact O-N 2.82Å; A121-Q123 HydrophobicContact CB-CG 4.02Å
122	G	81.8	Confident	78.2	Confident	23 Å²	23	40 Å²	40	24%	0.237	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	15.4	-176.5	0	0	0	0	0	114.2	A118 V119 K120 Q268	A118-G122 CarbonylContact O-C 3.55Å; A118-G122 PolarHBondContact O-N 3.49Å; V119-G122 PolarHBondContact O-N 2.84Å; K120-G122 VanDerWaalsContact C-N 3.3Å; K120-G122 PolarHBondContact O-N 3.13Å; G122-Q268 WeakPolarHBondContact O-CB 3.46Å; G122-Q268 WeakPolarHBondContact O-CG 3.27Å
123	Q	87.7	Confident	77.5	Confident	102 Å²	102	34.7 Å²	34.7	48%	0.477	23%	0.229	S	C	.	.			trans	-77.7	158.1	179	-64.5	170.6	-57	0	0	111.5	A118 A121 Q268	A118-Q123 HydrophobicContact CB-CB 4.24Å; A118-Q123 PolarHBondContact O-N 3.22Å; A121-Q123 HydrophobicContact CB-CG 4.02Å; Q123-Q268 WeakPolarHBondContact O-CG 3.39Å; Q123-Q268 PolarHBondContact O-NE2 3.27Å
124	N	92.8	Very high	77.1	Confident	25 Å²	25	35.6 Å²	35.6	13%	0.134	24%	0.238	C	C	.	.			trans	-65	143.3	178.9	-61.5	-18.3	0	0	0	110.7	L269 M286 A288 D289	N124-L269 CarbonylContact C-O 3.41Å; N124-L269 WeakPolarHBondContact CA-O 3.36Å; N124-L269 HydrophobicContact CB-CB 4.27Å; N124-L269 WeakPolarHBondContact OD1-CB 3.36Å; N124-L269 PolarHBondContact OD1-N 2.82Å; N124-M286 PolarHBondContact ND2-O 3.4Å; N124-A288 HydrophobicContact CB-CB 3.77Å; N124-A288 CarbonylContact O-C 3.6Å; N124-A288 VanDerWaalsContact O-CA 3.26Å; N124-A288 WeakPolarHBondContact O-CA 3Å; N124-A288 WeakPolarHBondContact O-CB 3.24Å; N124-D289 PolarHBondContact O-N 2.87Å
125	L	91.2	Very high	77.2	Confident	2 Å²	2	36 Å²	36	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.8	-174.9	-178.9	64.4	0	0	0	111.1	V113 A118 V119 I127 L269 I270 G271 D289 F291	V113-L125 HydrophobicContact CG1-CD2 3.94Å; A118-L125 HydrophobicContact CB-CB 4.39Å; A118-L125 HydrophobicContact CB-CD1 4.22Å; V119-L125 HydrophobicContact CG2-CD2 3.66Å; L125-I127 HydrophobicContact CD2-CD1 4.04Å; L125-I127 HydrophobicContact CD2-CG1 3.91Å; L125-I127 HydrophobicContact CG-CD1 4.48Å; L125-I127 HydrophobicContact CG-CG1 3.93Å; L125-L269 PolarHBondContact N-O 2.93Å; L125-I270 HydrophobicContact CB-CG1 4.44Å; L125-I270 CarbonylContact O-C 3.57Å; L125-I270 VanDerWaalsContact O-CA 3.28Å; L125-I270 WeakPolarHBondContact O-CA 3.46Å; L125-G271 PolarHBondContact O-N 2.94Å; L125-D289 HydrophobicContact CD1-CB 3.92Å; L125-F291 HydrophobicContact CD1-CB 4.21Å
126	I	89.1	Confident	77.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.7	169	-61.6	162.3	0	0	0	108.4	G271 L279 L282 K283 M286 A288 D289 L290 F291	I126-G271 CarbonylContact C-O 3.43Å; I126-G271 VanDerWaalsContact CA-O 3.32Å; I126-G271 WeakPolarHBondContact CA-O 3.42Å; I126-L279 HydrophobicContact CG2-CD2 4.03Å; I126-L282 HydrophobicContact CD1-CB 4.06Å; I126-L282 HydrophobicContact CD1-CD2 4.05Å; I126-L282 HydrophobicContact CD1-CG 3.67Å; I126-L282 HydrophobicContact CG1-CD2 4.48Å; I126-L282 HydrophobicContact CG1-CG 4.48Å; I126-L282 HydrophobicContact CG2-CD2 4.42Å; I126-K283 VanDerWaalsContact CD1-CA 3.47Å; I126-K283 HydrophobicContact CD1-CB 4.13Å; I126-M286 HydrophobicContact CD1-SD 4.19Å; I126-M286 HydrophobicContact CG1-SD 4.01Å; I126-A288 HydrophobicContact CD1-CB 4.01Å; I126-A288 HydrophobicContact CG1-CB 3.94Å; I126-D289 PolarHBondContact N-O 3.37Å; I126-L290 HydrophobicContact CB-CD1 3.84Å; I126-L290 HydrophobicContact CG2-CD1 3.65Å; I126-F291 PolarHBondContact O-N 3.43Å
127	I	86.4	Confident	77.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	108.1	-179	-56.7	166.3	0	0	0	107.8	V113 L125 L129 L138 I270 G271 M272 S273 F291	V113-I127 HydrophobicContact CG1-CD1 3.87Å; V113-I127 HydrophobicContact CG1-CG1 4.36Å; L125-I127 HydrophobicContact CD2-CD1 4.04Å; L125-I127 HydrophobicContact CD2-CG1 3.91Å; L125-I127 HydrophobicContact CG-CD1 4.48Å; L125-I127 HydrophobicContact CG-CG1 3.93Å; I127-L129 HydrophobicContact CG2-CD1 3.44Å; I127-L129 VanDerWaalsContact CG2-CD1 3.44Å; I127-L129 HydrophobicContact CG2-CG 3.85Å; I127-L138 HydrophobicContact CD1-CD2 3.87Å; I127-I270 HydrophobicContact CD1-CG2 3.7Å; I127-I270 HydrophobicContact CG1-CG2 4.44Å; I127-G271 PolarHBondContact N-O 2.82Å; I127-M272 HydrophobicContact CB-CG 4.39Å; I127-M272 HydrophobicContact CD1-CG 4.29Å; I127-M272 WeakPolarHBondContact O-CA 3.26Å; I127-S273 PolarHBondContact O-N 3.08Å; I127-F291 WeakPolarHBondContact CA-O 3.4Å
128	S	83.3	Confident	77.6	Confident	4 Å²	4	31.1 Å²	31.1	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.8	179.9	-176.8	0	0	0	0	110.4	L279 F291	S128-L279 VanDerWaalsContact OG-CD1 3.32Å; S128-L279 WeakPolarHBondContact OG-CD1 3.26Å; S128-F291 PolarHBondContact N-O 3.04Å
129	L	77.8	Confident	77.8	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	21%	0.208	C	C	.	.			trans	-146.1	146.5	-173.5	-63.8	171.4	0	0	0	111	W109 I127 K135 S273 A274 F291 H293	W109-L129 HydrophobicContact CD2-CD1 3.91Å; W109-L129 HydrophobicContact CE3-CD1 3.34Å; W109-L129 HydrophobicContact CH2-CD1 3.26Å; W109-L129 HydrophobicContact CZ2-CD1 3.78Å; W109-L129 HydrophobicContact CZ3-CD1 3Å; W109-L129 HydrophobicContact CZ3-CG 4.47Å; I127-L129 HydrophobicContact CG2-CD1 3.44Å; I127-L129 VanDerWaalsContact CG2-CD1 3.44Å; I127-L129 HydrophobicContact CG2-CG 3.85Å; L129-K135 HydrophobicContact CB-CD 4.17Å; L129-K135 HydrophobicContact CB-CG 4.22Å; L129-K135 HydrophobicContact CD1-CG 4.39Å; L129-S273 PolarHBondContact N-O 3.29Å; L129-A274 WeakPolarHBondContact O-CA 3.42Å; L129-F291 HydrophobicContact CD2-CE1 4.46Å; L129-H293 HydrophobicContact CD2-CB 3.43Å; L129-H293 VanDerWaalsContact CD2-CB 3.43Å; L129-H293 WeakPolarHBondContact CD2-O 3.48Å
130	P	71.3	Confident	78.2	Confident	36 Å²	36	31.3 Å²	31.3	23%	0.234	21%	0.209	C	C	.	.			trans	-56.8	147.1	176.6	24.3	-33.5	0	0	0	111.9	G133 F295	P130-G133 PolarHBondContact O-N 3.1Å; P130-F295 HydrophobicContact CG-CB 4.13Å
131	T	70.9	Confident	78.5	Confident	100 Å²	100	26.7 Å²	26.7	61%	0.613	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	151.2	172.3	44.7	0	0	0	0	110.5	G133 A274	T131-G133 PolarHBondContact O-N 3.27Å; T131-A274 HydrophobicContact CG2-CB 4.4Å
132	G	61.7	Low	78.8	Confident	87 Å²	87	23.6 Å²	23.6	90%	0.897	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-12.4	-169.9	0	0	0	0	0	115.1	G134	G132-G134 PolarHBondContact O-N 3.36Å; G132-G134 VanDerWaalsContact O-N 3.1Å
133	G	56.5	Low	79.1	Confident	6 Å²	6	22.5 Å²	22.5	6%	0.062	15%	0.151	C	C	.	.	S	Bend	trans	-65.3	-13	-178.1	0	0	0	0	0	116.2	L107 W109 P130 T131	L107-G133 WeakPolarHBondContact CD1-O 3.45Å; W109-G133 WeakPolarHBondContact CZ2-O 3.39Å; W109-G133 PolarHBondContact NE1-O 2.97Å; P130-G133 PolarHBondContact O-N 3.1Å; T131-G133 PolarHBondContact O-N 3.27Å
134	G	64.8	Low	78.9	Confident	19 Å²	19	17.6 Å²	17.6	20%	0.196	13%	0.128	C	C	.	.	S	Bend	trans	104	15.1	-178.8	0	0	0	0	0	115.8	G132 T136 L137 L138	G132-G134 PolarHBondContact O-N 3.36Å; G132-G134 VanDerWaalsContact O-N 3.1Å; G134-T136 PolarHBondContact O-N 2.93Å; G134-T136 VanDerWaalsContact O-N 3.1Å; G134-L137 PolarHBondContact O-N 2.72Å; G134-L138 PolarHBondContact O-N 2.99Å
135	K	74.2	Confident	78.3	Confident	8 Å²	8	17.9 Å²	17.9	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-46	-39.7	176.2	-67.4	-174.7	-72.9	176.5	0	113.4	L129 L138 S139 E234 M272 S273	L129-K135 HydrophobicContact CB-CD 4.17Å; L129-K135 HydrophobicContact CB-CG 4.22Å; L129-K135 HydrophobicContact CD1-CG 4.39Å; K135-L138 WeakPolarHBondContact O-CB 3.21Å; K135-L138 PolarHBondContact O-N 2.97Å; K135-S139 PolarHBondContact O-N 2.86Å; K135-E234 VanDerWaalsContact NZ-CD 3.3Å; K135-E234 IonicContact NZ-OE1 2.65Å; K135-E234 PolarHBondContact NZ-OE1 3.19Å; K135-E234 IonicContact NZ-OE2 3.29Å; K135-E234 PolarHBondContact NZ-OE2 3Å; K135-M272 HydrophobicContact CB-CE 4.45Å; K135-M272 HydrophobicContact CB-SD 4.22Å; K135-M272 HydrophobicContact CD-CB 4.42Å; K135-S273 PolarHBondContact NZ-O 2.98Å; K135-S273 VanDerWaalsContact NZ-O 3.15Å
136	T	72.8	Confident	78	Confident	52 Å²	52	18.2 Å²	18.2	32%	0.319	13%	0.129	S	C	.	.	H	α-helix	trans	-65.8	-35.3	179.7	-42.9	0	0	0	0	114	G134 S139 E140 K167	G134-T136 PolarHBondContact O-N 2.93Å; G134-T136 VanDerWaalsContact O-N 3.1Å; T136-S139 WeakPolarHBondContact CA-OG 3.46Å; T136-S139 PolarHBondContact O-OG 2.96Å; T136-E140 WeakPolarHBondContact O-CG 3.49Å; T136-E140 PolarHBondContact O-N 3.41Å; T136-E140 VanDerWaalsContact O-N 3.1Å; T136-K167 HydrophobicContact CG2-CD 4.16Å
137	L	76.4	Confident	77.7	Confident	16 Å²	16	18.8 Å²	18.8	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-40.2	174.7	178.2	63.3	0	0	0	110.3	F62 I68 V106 G134 E140 I141	F62-L137 HydrophobicContact CD1-CD1 4.31Å; F62-L137 HydrophobicContact CE1-CD1 3.78Å; I68-L137 HydrophobicContact CD1-CD1 3.76Å; I68-L137 HydrophobicContact CD1-CD2 3.96Å; V106-L137 HydrophobicContact CG2-CD2 3.9Å; G134-L137 PolarHBondContact O-N 2.72Å; L137-E140 PolarHBondContact O-N 3.01Å; L137-I141 HydrophobicContact CD1-CD1 4.4Å; L137-I141 HydrophobicContact CG-CD1 4.06Å; L137-I141 WeakPolarHBondContact O-CG1 3.43Å; L137-I141 PolarHBondContact O-N 3.35Å
138	L	80.4	Confident	77.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-43.7	176.3	173.9	61.6	0	0	0	111.9	W109 V113 L114 I127 G134 K135 I141 L142	W109-L138 HydrophobicContact CH2-CB 4.38Å; W109-L138 HydrophobicContact CH2-CD2 3.84Å; W109-L138 HydrophobicContact CZ3-CD2 3.53Å; V113-L138 HydrophobicContact CB-CD2 4.16Å; V113-L138 HydrophobicContact CG1-CD1 4.34Å; V113-L138 HydrophobicContact CG1-CD2 3.87Å; V113-L138 HydrophobicContact CG2-CD2 4.41Å; L114-L138 HydrophobicContact CD1-CD1 3.69Å; L114-L138 HydrophobicContact CD2-CD1 3.58Å; L114-L138 HydrophobicContact CG-CD1 3.41Å; L114-L138 VanDerWaalsContact CG-CD1 3.41Å; I127-L138 HydrophobicContact CD1-CD2 3.87Å; G134-L138 PolarHBondContact O-N 2.99Å; K135-L138 WeakPolarHBondContact O-CB 3.21Å; K135-L138 PolarHBondContact O-N 2.97Å; L138-I141 PolarHBondContact O-N 2.88Å; L138-L142 HydrophobicContact CD1-CD1 3.95Å; L138-L142 HydrophobicContact CD1-CG 4.16Å; L138-L142 HydrophobicContact CG-CD1 3.88Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 VanDerWaalsContact O-CG 3.28Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 3.32Å
139	S	85.2	Confident	77.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-42.4	174.6	58.3	0	0	0	0	112.3	K135 T136 I141 L142 I143 F156	K135-S139 PolarHBondContact O-N 2.86Å; T136-S139 WeakPolarHBondContact CA-OG 3.46Å; T136-S139 PolarHBondContact O-OG 2.96Å; S139-I141 VanDerWaalsContact C-N 3.32Å; S139-I141 PolarHBondContact O-N 2.9Å; S139-L142 PolarHBondContact O-N 3.07Å; S139-I143 WeakPolarHBondContact O-CB 3.49Å; S139-I143 WeakPolarHBondContact O-CD1 3.41Å; S139-I143 WeakPolarHBondContact O-CG1 3.38Å; S139-I143 PolarHBondContact O-N 3.45Å; S139-F156 WeakPolarHBondContact OG-CZ 3.46Å
140	E	83.8	Confident	77.2	Confident	6 Å²	6	26 Å²	26	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-42.5	173.4	-74.8	-179.2	-142.9	0	0	111.8	R66 T136 L137 L144 K167 L171	R66-E140 IonicContact CZ-OE2 3.4Å; R66-E140 IonicContact NE-OE2 3.69Å; R66-E140 PolarHBondContact NE-OE2 2.84Å; R66-E140 IonicContact NH2-OE2 2.72Å; R66-E140 PolarHBondContact NH2-OE2 2.77Å; T136-E140 WeakPolarHBondContact O-CG 3.49Å; T136-E140 PolarHBondContact O-N 3.41Å; T136-E140 VanDerWaalsContact O-N 3.1Å; L137-E140 PolarHBondContact O-N 3.01Å; E140-L144 VanDerWaalsContact O-CG 3.24Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 2.86Å; E140-L144 VanDerWaalsContact O-N 3.08Å; E140-K167 IonicContact OE1-NZ 3.56Å; E140-K167 PolarHBondContact OE1-NZ 2.85Å; E140-L171 HydrophobicContact CG-CD2 4.32Å
141	I	81.7	Confident	77.9	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-45.9	175.4	-67.1	165.7	0	0	0	111.6	F51 Y52 L54 F62 V106 L114 L137 L138 S139 L144 K145	F51-I141 HydrophobicContact CE1-CG1 4.35Å; F51-I141 HydrophobicContact CZ-CD1 3.8Å; F51-I141 HydrophobicContact CZ-CG1 3.99Å; Y52-I141 HydrophobicContact CD2-CG2 3.93Å; Y52-I141 HydrophobicContact CG-CG2 4.39Å; L54-I141 HydrophobicContact CD1-CG2 4.07Å; F62-I141 HydrophobicContact CZ-CG1 4.05Å; V106-I141 HydrophobicContact CG2-CD1 4.09Å; L114-I141 HydrophobicContact CD1-CD1 4.21Å; L114-I141 HydrophobicContact CD1-CG2 3.96Å; L114-I141 HydrophobicContact CD2-CG2 3.71Å; L137-I141 HydrophobicContact CD1-CD1 4.4Å; L137-I141 HydrophobicContact CG-CD1 4.06Å; L137-I141 WeakPolarHBondContact O-CG1 3.43Å; L137-I141 PolarHBondContact O-N 3.35Å; L138-I141 PolarHBondContact O-N 2.88Å; S139-I141 VanDerWaalsContact C-N 3.32Å; S139-I141 PolarHBondContact O-N 2.9Å; I141-L144 PolarHBondContact O-N 3.2Å; I141-K145 WeakPolarHBondContact O-CB 3.07Å; I141-K145 PolarHBondContact O-N 2.94Å
142	L	85.3	Confident	78.8	Confident	5 Å²	5	22.3 Å²	22.3	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-42.9	179.6	-71.9	164	0	0	0	112.2	L114 V119 L138 S139 K145 Q146 L229 I270	L114-L142 HydrophobicContact CD2-CD2 3.79Å; L114-L142 HydrophobicContact CD2-CG 4.04Å; V119-L142 HydrophobicContact CG1-CD2 3.74Å; V119-L142 HydrophobicContact CG2-CD2 4.47Å; L138-L142 HydrophobicContact CD1-CD1 3.95Å; L138-L142 HydrophobicContact CD1-CG 4.16Å; L138-L142 HydrophobicContact CG-CD1 3.88Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 VanDerWaalsContact O-CG 3.28Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 3.32Å; S139-L142 PolarHBondContact O-N 3.07Å; L142-K145 PolarHBondContact O-N 3.18Å; L142-Q146 PolarHBondContact O-N 3.41Å; L142-L229 HydrophobicContact CB-CD2 4.13Å; L142-L229 WeakPolarHBondContact O-CD2 3.46Å; L142-I270 HydrophobicContact CD1-CD1 3.82Å; L142-I270 HydrophobicContact CD1-CG2 4.44Å; L142-I270 HydrophobicContact CD2-CD1 4.07Å; L142-I270 HydrophobicContact CG-CD1 4.44Å
143	I	87.4	Confident	80.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.7	-51.8	174.3	-70.6	161.9	0	0	0	109.7	S139 K145 Q146 I147 V154 F156 V203 V231	S139-I143 WeakPolarHBondContact O-CB 3.49Å; S139-I143 WeakPolarHBondContact O-CD1 3.41Å; S139-I143 WeakPolarHBondContact O-CG1 3.38Å; S139-I143 PolarHBondContact O-N 3.45Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 2.98Å; I143-Q146 PolarHBondContact O-N 3.46Å; I143-I147 HydrophobicContact CG2-CD1 3.71Å; I143-I147 WeakPolarHBondContact O-CD1 3.24Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.81Å; I143-I147 VanDerWaalsContact O-N 3.1Å; I143-V154 HydrophobicContact CB-CG1 4.36Å; I143-V154 HydrophobicContact CG1-CG1 3.88Å; I143-V154 HydrophobicContact CG2-CB 4.48Å; I143-V154 HydrophobicContact CG2-CG1 4.24Å; I143-F156 HydrophobicContact CD1-CB 4.02Å; I143-F156 HydrophobicContact CD1-CD1 3.56Å; I143-F156 HydrophobicContact CD1-CD2 4.28Å; I143-F156 HydrophobicContact CD1-CE1 4.02Å; I143-F156 HydrophobicContact CD1-CG 3.71Å; I143-V203 HydrophobicContact CG2-CG1 4.01Å; I143-V203 HydrophobicContact CG2-CG2 3.93Å; I143-V231 HydrophobicContact CG1-CG2 4.32Å
144	L	83.5	Confident	82.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-37.8	179.3	-68.1	170.9	0	0	0	112.3	L54 V58 F62 E140 I141 Q146 I147 V148 L174 L178 F180	L54-L144 HydrophobicContact CD1-CB 4.42Å; L54-L144 HydrophobicContact CD2-CB 3.84Å; V58-L144 HydrophobicContact CG1-CD1 4Å; F62-L144 HydrophobicContact CE2-CD1 3.38Å; F62-L144 HydrophobicContact CZ-CD1 3.5Å; E140-L144 VanDerWaalsContact O-CG 3.24Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 2.86Å; E140-L144 VanDerWaalsContact O-N 3.08Å; I141-L144 PolarHBondContact O-N 3.2Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.11Å; L144-I147 PolarHBondContact O-N 2.79Å; L144-V148 WeakPolarHBondContact O-CB 3.31Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 3.39Å; L144-V148 PolarHBondContact O-N 3.38Å; L144-L174 HydrophobicContact CD1-CD1 4.39Å; L144-L178 HydrophobicContact CD2-CD1 3.76Å; L144-F180 HydrophobicContact CD2-CE1 3.46Å; L144-F180 VanDerWaalsContact CD2-CE1 3.46Å; L144-F180 HydrophobicContact CD2-CZ 3.72Å
145	K	80.5	Confident	83.9	Confident	30 Å²	30	17.3 Å²	17.3	13%	0.13	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-41.5	177.9	-176.6	175.7	-177.1	155.6	0	110.9	Y52 L54 I141 L142 I143 C149 R150	Y52-K145 WeakPolarHBondContact O-CD 3.42Å; Y52-K145 WeakPolarHBondContact O-CE 3.5Å; Y52-K145 PolarHBondContact O-NZ 2.9Å; L54-K145 HydrophobicContact CD2-CB 4.3Å; I141-K145 WeakPolarHBondContact O-CB 3.07Å; I141-K145 PolarHBondContact O-N 2.94Å; L142-K145 PolarHBondContact O-N 3.18Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 2.98Å; K145-C149 WeakPolarHBondContact O-CB 3.41Å; K145-C149 PolarHBondContact O-N 3.1Å; K145-C149 PolarHBondContact O-SG 2.87Å; K145-C149 VanDerWaalsContact O-SG 3.37Å; K145-R150 PolarHBondContact O-N 3.32Å
146	Q	84.6	Confident	85	Confident	9 Å²	9	16.9 Å²	16.9	4%	0.042	9%	0.093	C	C	.	.	I	π-helix	trans	-66.7	-44.3	176.8	-168.1	71.7	16.1	0	0	112.5	L142 I143 L144 R150 G151 K152 V154 G228 L229	L142-Q146 PolarHBondContact O-N 3.41Å; I143-Q146 PolarHBondContact O-N 3.46Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.11Å; Q146-R150 CarbonylContact O-C 3.56Å; Q146-R150 WeakPolarHBondContact O-CA 3.41Å; Q146-R150 WeakPolarHBondContact O-CB 3.36Å; Q146-R150 PolarHBondContact O-N 3.41Å; Q146-G151 PolarHBondContact O-N 3.46Å; Q146-K152 HydrophobicContact CG-CB 4.41Å; Q146-V154 HydrophobicContact CB-CG2 3.72Å; Q146-V154 HydrophobicContact CG-CG2 3.81Å; Q146-G228 VanDerWaalsContact NE2-CA 3.34Å; Q146-G228 PolarHBondContact NE2-O 3.41Å; Q146-G228 VanDerWaalsContact NE2-O 3.16Å; Q146-L229 HydrophobicContact CB-CB 3.93Å; Q146-L229 HydrophobicContact CB-CD2 3.95Å; Q146-L229 HydrophobicContact CG-CB 3.58Å
147	I	83.3	Confident	86.1	Confident	13 Å²	13	14.5 Å²	14.5	7%	0.067	8%	0.079	C	C	.	.	I	π-helix	trans	-66.4	-50.7	-178.8	-63.3	158.3	0	0	0	111	I143 L144 G151 V154 F180 R201 V203	I143-I147 HydrophobicContact CG2-CD1 3.71Å; I143-I147 WeakPolarHBondContact O-CD1 3.24Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.81Å; I143-I147 VanDerWaalsContact O-N 3.1Å; L144-I147 PolarHBondContact O-N 2.79Å; I147-G151 VanDerWaalsContact O-CA 3.26Å; I147-G151 WeakPolarHBondContact O-CA 3.38Å; I147-G151 PolarHBondContact O-N 3.48Å; I147-V154 HydrophobicContact CD1-CG2 4.48Å; I147-V154 HydrophobicContact CG1-CG2 3.8Å; I147-F180 HydrophobicContact CD1-CD1 4.1Å; I147-F180 HydrophobicContact CD1-CD2 4.06Å; I147-F180 HydrophobicContact CD1-CE1 4.21Å; I147-F180 HydrophobicContact CD1-CE2 4.18Å; I147-F180 HydrophobicContact CD1-CG 4.02Å; I147-F180 HydrophobicContact CD1-CZ 4.25Å; I147-F180 HydrophobicContact CG2-CB 3.73Å; I147-F180 HydrophobicContact CG2-CD1 3.93Å; I147-F180 HydrophobicContact CG2-CG 4.02Å; I147-R201 HydrophobicContact CG2-CB 4.44Å; I147-V203 HydrophobicContact CD1-CG2 3.22Å; I147-V203 HydrophobicContact CG1-CG2 4.08Å
148	V	78.8	Confident	86.9	Confident	31 Å²	31	13.9 Å²	13.9	19%	0.188	8%	0.075	C	C	.	.	I	π-helix	trans	-85.4	-40.2	-166	-176.8	0	0	0	0	111.7	L54 P55 L144	L54-V148 HydrophobicContact CD2-CB 4.44Å; P55-V148 VanDerWaalsContact CD-CG1 3.43Å; P55-V148 HydrophobicContact CG-CG1 3.51Å; L144-V148 WeakPolarHBondContact O-CB 3.31Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 3.39Å; L144-V148 PolarHBondContact O-N 3.38Å
149	C	78.6	Confident	87.2	Confident	46 Å²	46	14.4 Å²	14.4	31%	0.311	8%	0.079	S	C	.	.	I	π-helix	trans	-90.8	-46.4	-176.6	-41.6	0	0	0	0	111.7	G53 K145	G53-C149 VanDerWaalsContact C-SG 3.56Å; G53-C149 PolarHBondContact O-SG 3.4Å; K145-C149 WeakPolarHBondContact O-CB 3.41Å; K145-C149 PolarHBondContact O-N 3.1Å; K145-C149 PolarHBondContact O-SG 2.87Å; K145-C149 VanDerWaalsContact O-SG 3.37Å
150	R	79.8	Confident	87.5	Confident	82 Å²	82	20 Å²	20	31%	0.309	10%	0.101	S	C	.	.	I	π-helix	trans	-93.4	-14	-176.9	-72.1	168.3	171.3	172.4	1.5	113.8	V119 K120 K145 Q146 K152	V119-R150 PolarHBondContact O-NH2 2.75Å; K120-R150 PolarHBondContact O-NH2 2.86Å; K145-R150 PolarHBondContact O-N 3.32Å; Q146-R150 CarbonylContact O-C 3.56Å; Q146-R150 WeakPolarHBondContact O-CA 3.41Å; Q146-R150 WeakPolarHBondContact O-CB 3.36Å; Q146-R150 PolarHBondContact O-N 3.41Å; R150-K152 VanDerWaalsContact C-N 3.35Å; R150-K152 PolarHBondContact O-N 2.96Å
151	G	84.6	Confident	87.9	Confident	28 Å²	28	22.1 Å²	22.1	29%	0.289	11%	0.114	S	C	.	.			trans	61.5	38.1	172.3	0	0	0	0	0	113.9	Q146 I147 R201	Q146-G151 PolarHBondContact O-N 3.46Å; I147-G151 VanDerWaalsContact O-CA 3.26Å; I147-G151 WeakPolarHBondContact O-CA 3.38Å; I147-G151 PolarHBondContact O-N 3.48Å; G151-R201 PolarHBondContact O-NE 3.1Å; G151-R201 PolarHBondContact O-NH2 2.89Å
152	K	91.3	Very high	88.5	Confident	29 Å²	29	25.9 Å²	25.9	13%	0.126	14%	0.14	C	C	.	.			trans	-119.2	161.9	176.1	-79.2	-162.4	168.8	-152	0	111.6	Q146 R150 D225 D226 L227 G228	Q146-K152 HydrophobicContact CG-CB 4.41Å; R150-K152 VanDerWaalsContact C-N 3.35Å; R150-K152 PolarHBondContact O-N 2.96Å; K152-D225 WeakPolarHBondContact CE-O 3.41Å; K152-D225 PolarHBondContact NZ-O 3.03Å; K152-D226 WeakPolarHBondContact CB-O 3.38Å; K152-L227 PolarHBondContact NZ-O 3.39Å; K152-G228 VanDerWaalsContact CD-CA 3.42Å
153	D	95.5	Very high	88.8	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	158.1	172	-72.9	-0	0	0	0	110.7	R201 S202 Y204 D226 L227 G228	D153-R201 VanDerWaalsContact OD1-CA 3.27Å; D153-R201 WeakPolarHBondContact OD1-CA 3.48Å; D153-R201 WeakPolarHBondContact OD1-CB 3.26Å; D153-R201 VanDerWaalsContact OD1-CD 3.31Å; D153-R201 WeakPolarHBondContact OD1-CD 3.38Å; D153-S202 WeakPolarHBondContact CA-O 3.49Å; D153-S202 WeakPolarHBondContact CB-O 3.19Å; D153-S202 PolarHBondContact OD1-N 3.37Å; D153-Y204 HydrophobicContact CB-CE2 3.82Å; D153-Y204 WeakPolarHBondContact OD2-CE2 3.05Å; D153-Y204 PolarHBondContact OD2-OH 2.9Å; D153-D226 PolarHBondContact N-O 3.22Å; D153-L227 HydrophobicContact CB-CD1 4.27Å; D153-G228 PolarHBondContact O-N 3.5Å
154	V	96.4	Very high	89.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.5	-178.2	-173.1	0	0	0	0	110.8	I143 Q146 I147 S202 V203 Y204 L229	I143-V154 HydrophobicContact CB-CG1 4.36Å; I143-V154 HydrophobicContact CG1-CG1 3.88Å; I143-V154 HydrophobicContact CG2-CB 4.48Å; I143-V154 HydrophobicContact CG2-CG1 4.24Å; Q146-V154 HydrophobicContact CB-CG2 3.72Å; Q146-V154 HydrophobicContact CG-CG2 3.81Å; I147-V154 HydrophobicContact CD1-CG2 4.48Å; I147-V154 HydrophobicContact CG1-CG2 3.8Å; V154-S202 PolarHBondContact N-O 3.35Å; V154-V203 WeakPolarHBondContact O-CA 2.92Å; V154-Y204 WeakPolarHBondContact O-CD2 3.38Å; V154-Y204 PolarHBondContact O-N 2.77Å; V154-L229 WeakPolarHBondContact CA-O 3.32Å; V154-L229 HydrophobicContact CG1-CB 4.12Å; V154-L229 HydrophobicContact CG1-CD2 4.13Å; V154-L229 HydrophobicContact CG1-CG 4.16Å; V154-L229 HydrophobicContact CG2-CB 4.4Å
155	L	98	Very high	89.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.7	172.5	173.8	59.6	0	0	0	109	V157 Y204 A206 A211 L214 L227 L229 V230 V231	L155-V157 HydrophobicContact CD1-CG2 4.26Å; L155-V157 HydrophobicContact CD2-CG2 4.26Å; L155-V157 HydrophobicContact CG-CG2 3.84Å; L155-Y204 CarbonylContact C-O 3.53Å; L155-Y204 WeakPolarHBondContact CA-O 3.45Å; L155-A206 HydrophobicContact CD1-CB 3.88Å; L155-A211 HydrophobicContact CD1-CB 4.19Å; L155-A211 HydrophobicContact CD2-CB 4.21Å; L155-L214 HydrophobicContact CD1-CD2 4.02Å; L155-L227 HydrophobicContact CB-CD1 3.85Å; L155-L227 HydrophobicContact CB-CD2 4.26Å; L155-L227 HydrophobicContact CD2-CD2 4.46Å; L155-L229 PolarHBondContact N-O 3.2Å; L155-V230 HydrophobicContact CB-CB 4.47Å; L155-V230 HydrophobicContact CB-CG1 4.2Å; L155-V230 HydrophobicContact CB-CG2 3.98Å; L155-V230 HydrophobicContact CD2-CG1 4.09Å; L155-V230 HydrophobicContact CD2-CG2 4.23Å; L155-V230 HydrophobicContact CG-CG1 4.07Å; L155-V230 CarbonylContact O-C 3.4Å; L155-V230 VanDerWaalsContact O-CA 3.26Å; L155-V230 WeakPolarHBondContact O-CA 2.82Å; L155-V231 PolarHBondContact O-N 3.17Å
156	F	97.6	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	176.5	-173.5	-159.8	0	0	0	109	S139 I143 L158 K167 Y204 V205 A206 V231 D233	S139-F156 WeakPolarHBondContact OG-CZ 3.46Å; I143-F156 HydrophobicContact CD1-CB 4.02Å; I143-F156 HydrophobicContact CD1-CD1 3.56Å; I143-F156 HydrophobicContact CD1-CD2 4.28Å; I143-F156 HydrophobicContact CD1-CE1 4.02Å; I143-F156 HydrophobicContact CD1-CG 3.71Å; F156-L158 HydrophobicContact CD1-CD1 4.28Å; F156-L158 HydrophobicContact CD2-CG 4.42Å; F156-L158 HydrophobicContact CE1-CD1 4.13Å; F156-L158 HydrophobicContact CE1-CD2 4.29Å; F156-L158 HydrophobicContact CE1-CG 4.44Å; F156-L158 HydrophobicContact CE2-CD2 3.86Å; F156-L158 HydrophobicContact CE2-CG 4.23Å; F156-L158 HydrophobicContact CZ-CD1 4.38Å; F156-L158 HydrophobicContact CZ-CD2 3.72Å; F156-L158 HydrophobicContact CZ-CG 4.24Å; F156-K167 HydrophobicContact CE1-CB 4.34Å; F156-K167 HydrophobicContact CE1-CD 4.38Å; F156-K167 HydrophobicContact CE1-CG 4.2Å; F156-Y204 PolarHBondContact N-O 3.44Å; F156-V205 HydrophobicContact CD1-CG1 4.3Å; F156-V205 WeakPolarHBondContact O-CA 3.42Å; F156-A206 PolarHBondContact O-N 3.23Å; F156-V231 WeakPolarHBondContact CA-O 3.12Å; F156-V231 HydrophobicContact CD2-CB 3.95Å; F156-V231 HydrophobicContact CD2-CG1 4.1Å; F156-V231 HydrophobicContact CE2-CB 4.44Å; F156-V231 HydrophobicContact CE2-CG1 4.08Å; F156-D233 HydrophobicContact CE2-CB 4.22Å
157	V	95.3	Very high	90.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.2	-176.1	-169.3	0	0	0	0	109.5	L155 A206 I208 A211 V230 V231 I232 D233 L256	L155-V157 HydrophobicContact CD1-CG2 4.26Å; L155-V157 HydrophobicContact CD2-CG2 4.26Å; L155-V157 HydrophobicContact CG-CG2 3.84Å; V157-A206 WeakPolarHBondContact CA-O 3.28Å; V157-I208 HydrophobicContact CG1-CB 4.32Å; V157-I208 HydrophobicContact CG1-CG1 3.78Å; V157-A211 HydrophobicContact CG1-CB 4.06Å; V157-A211 HydrophobicContact CG2-CB 3.72Å; V157-V230 HydrophobicContact CG2-CG1 4.08Å; V157-V231 PolarHBondContact N-O 2.87Å; V157-I232 HydrophobicContact CB-CG1 4.31Å; V157-I232 HydrophobicContact CB-CG2 4.37Å; V157-I232 HydrophobicContact CG2-CG1 4.31Å; V157-D233 PolarHBondContact O-N 3.27Å; V157-L256 HydrophobicContact CG2-CD2 4.18Å
158	L	92.7	Very high	90.9	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.6	-176.2	-68.9	162.8	0	0	0	110.3	F156 Y160 I163 V164 K167 V205 A206 T207 D233	F156-L158 HydrophobicContact CD1-CD1 4.28Å; F156-L158 HydrophobicContact CD2-CG 4.42Å; F156-L158 HydrophobicContact CE1-CD1 4.13Å; F156-L158 HydrophobicContact CE1-CD2 4.29Å; F156-L158 HydrophobicContact CE1-CG 4.44Å; F156-L158 HydrophobicContact CE2-CD2 3.86Å; F156-L158 HydrophobicContact CE2-CG 4.23Å; F156-L158 HydrophobicContact CZ-CD1 4.38Å; F156-L158 HydrophobicContact CZ-CD2 3.72Å; F156-L158 HydrophobicContact CZ-CG 4.24Å; L158-Y160 PolarHBondContact O-N 3.39Å; L158-I163 HydrophobicContact CD1-CG2 4.17Å; L158-I163 HydrophobicContact CD2-CG2 3.98Å; L158-V164 HydrophobicContact CB-CG2 3.79Å; L158-V164 HydrophobicContact CD1-CG2 4.04Å; L158-K167 HydrophobicContact CD1-CB 4.02Å; L158-K167 HydrophobicContact CD1-CG 4.07Å; L158-V205 HydrophobicContact CD1-CG1 3.66Å; L158-A206 PolarHBondContact N-O 3.27Å; L158-T207 WeakPolarHBondContact O-CA 3.44Å; L158-D233 HydrophobicContact CD2-CB 3.73Å
159	P	87.2	Confident	91.5	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.071	20%	0.202	C	C	.	.	S	Bend	trans	-73.4	-19.7	-172.1	26.7	-35.4	0	0	0	115.1	I163 E234 R249	P159-I163 HydrophobicContact CG-CD1 4.48Å; P159-E234 HydrophobicContact CG-CB 4.36Å; P159-R249 PolarHBondContact O-NH1 3.26Å; P159-R249 VanDerWaalsContact O-NH1 3.09Å; P159-R249 PolarHBondContact O-NH2 3.13Å
160	Y	90.6	Very high	91.8	Very high	119 Å²	119	38.3 Å²	38.3	47%	0.467	19%	0.192	S	C	.	.			trans	-139	144.6	-172.7	-54	-70.4	0	0	0	113.2	L158 S162 I163 V164	L158-Y160 PolarHBondContact O-N 3.39Å; Y160-S162 VanDerWaalsContact C-N 3.25Å; Y160-S162 PolarHBondContact O-N 3.29Å; Y160-I163 HydrophobicContact CD2-CD1 3.88Å; Y160-I163 PolarHBondContact O-N 3Å; Y160-V164 PolarHBondContact O-N 2.89Å; Y160-V164 VanDerWaalsContact O-N 3.1Å
161	V	94	Very high	92.2	Very high	50 Å²	50	34.4 Å²	34.4	30%	0.303	18%	0.177	S	C	.	.	H	α-helix	trans	-55.9	-38.1	177.4	174.9	0	0	0	0	112.2	V164 Q165 A186 A187 T207	V161-V164 PolarHBondContact O-N 3.03Å; V161-Q165 WeakPolarHBondContact O-CG 3.47Å; V161-Q165 PolarHBondContact O-N 2.9Å; V161-A186 HydrophobicContact CB-CB 4.31Å; V161-A186 HydrophobicContact CG1-CB 3.96Å; V161-A186 HydrophobicContact CG2-CB 4.18Å; V161-A187 HydrophobicContact CG1-CB 4.46Å; V161-A187 HydrophobicContact CG2-CB 4.32Å; V161-T207 HydrophobicContact CG2-CG2 3.84Å
162	S	93.7	Very high	92.4	Very high	79 Å²	79	36.6 Å²	36.6	55%	0.552	18%	0.182	S	C	*	.	H	α-helix	trans	-60.5	-48.7	177.8	45.8	0	0	0	0	112.2	Y160 Q165 E166	Y160-S162 VanDerWaalsContact C-N 3.25Å; Y160-S162 PolarHBondContact O-N 3.29Å; S162-Q165 PolarHBondContact O-N 3.13Å; S162-E166 PolarHBondContact O-N 2.68Å
163	I	90.9	Very high	92.1	Very high	55 Å²	55	36.5 Å²	36.5	28%	0.282	18%	0.184	S	C	.	.	H	α-helix	trans	-69.2	-35.7	180	-50.2	-179.2	0	0	0	110.7	L158 P159 Y160 Q165 E166 K167	L158-I163 HydrophobicContact CD1-CG2 4.17Å; L158-I163 HydrophobicContact CD2-CG2 3.98Å; P159-I163 HydrophobicContact CG-CD1 4.48Å; Y160-I163 HydrophobicContact CD2-CD1 3.88Å; Y160-I163 PolarHBondContact O-N 3Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 3.31Å; I163-E166 PolarHBondContact O-N 3.39Å; I163-K167 HydrophobicContact CG2-CG 4.4Å; I163-K167 WeakPolarHBondContact O-CB 3.44Å; I163-K167 WeakPolarHBondContact O-CG 3.07Å; I163-K167 PolarHBondContact O-N 3.43Å
164	V	95.2	Very high	91.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-46.8	170.1	171.1	0	0	0	0	110.9	L158 Y160 V161 K167 V168 E184 A186 V205 T207	L158-V164 HydrophobicContact CB-CG2 3.79Å; L158-V164 HydrophobicContact CD1-CG2 4.04Å; Y160-V164 PolarHBondContact O-N 2.89Å; Y160-V164 VanDerWaalsContact O-N 3.1Å; V161-V164 PolarHBondContact O-N 3.03Å; V164-K167 PolarHBondContact O-N 3.21Å; V164-V168 HydrophobicContact CG1-CG2 4.32Å; V164-V168 WeakPolarHBondContact O-CB 3.05Å; V164-V168 VanDerWaalsContact O-CG2 3.26Å; V164-V168 WeakPolarHBondContact O-CG2 3.49Å; V164-V168 PolarHBondContact O-N 3.19Å; V164-E184 HydrophobicContact CG1-CG 3.98Å; V164-A186 HydrophobicContact CB-CB 4.03Å; V164-A186 HydrophobicContact CG1-CB 3.71Å; V164-A186 HydrophobicContact CG2-CB 4.39Å; V164-V205 HydrophobicContact CB-CG1 4.35Å; V164-V205 HydrophobicContact CG1-CB 4.24Å; V164-V205 HydrophobicContact CG1-CG1 3.89Å; V164-V205 WeakPolarHBondContact CG1-O 3.34Å; V164-V205 HydrophobicContact CG2-CG1 4.43Å; V164-T207 HydrophobicContact CG2-CG2 4.02Å
165	Q	95.9	Very high	90.8	Very high	64 Å²	64	36.3 Å²	36.3	30%	0.299	18%	0.183	S	C	.	.	H	α-helix	trans	-67.1	-36.8	-179.6	-78.4	174.3	6.4	0	0	113.5	V161 S162 I163 K169 E184	V161-Q165 WeakPolarHBondContact O-CG 3.47Å; V161-Q165 PolarHBondContact O-N 2.9Å; S162-Q165 PolarHBondContact O-N 3.13Å; I163-Q165 VanDerWaalsContact C-N 3.33Å; I163-Q165 PolarHBondContact O-N 3.31Å; Q165-K169 WeakPolarHBondContact O-CD 3.04Å; Q165-K169 VanDerWaalsContact O-CG 3.3Å; Q165-K169 WeakPolarHBondContact O-CG 3.37Å; Q165-K169 PolarHBondContact O-N 3.48Å; Q165-E184 WeakPolarHBondContact CG-OE1 3.42Å; Q165-E184 PolarHBondContact NE2-OE1 2.97Å
166	E	90.7	Very high	90.1	Very high	94 Å²	94	42.6 Å²	42.6	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-54.1	170	-173.8	-172.8	133.4	0	0	110.4	S162 I163 V168 K169 D170	S162-E166 PolarHBondContact O-N 2.68Å; I163-E166 PolarHBondContact O-N 3.39Å; E166-V168 VanDerWaalsContact C-N 3.34Å; E166-V168 PolarHBondContact O-N 3.05Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.91Å; E166-D170 PolarHBondContact O-N 2.77Å
167	K	88.2	Confident	89.2	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-28.3	-175.3	-70.3	-69.7	151.2	-160.9	0	114.1	T136 E140 F156 L158 I163 V164 D170 L171 V205	T136-K167 HydrophobicContact CG2-CD 4.16Å; E140-K167 IonicContact OE1-NZ 3.56Å; E140-K167 PolarHBondContact OE1-NZ 2.85Å; F156-K167 HydrophobicContact CE1-CB 4.34Å; F156-K167 HydrophobicContact CE1-CD 4.38Å; F156-K167 HydrophobicContact CE1-CG 4.2Å; L158-K167 HydrophobicContact CD1-CB 4.02Å; L158-K167 HydrophobicContact CD1-CG 4.07Å; I163-K167 HydrophobicContact CG2-CG 4.4Å; I163-K167 WeakPolarHBondContact O-CB 3.44Å; I163-K167 WeakPolarHBondContact O-CG 3.07Å; I163-K167 PolarHBondContact O-N 3.43Å; V164-K167 PolarHBondContact O-N 3.21Å; K167-D170 WeakPolarHBondContact CE-OD2 3.35Å; K167-D170 IonicContact NZ-OD2 2.81Å; K167-D170 PolarHBondContact NZ-OD2 3.34Å; K167-D170 PolarHBondContact O-N 3.12Å; K167-L171 VanDerWaalsContact O-CB 3.29Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 WeakPolarHBondContact O-CD1 3.18Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 2.8Å; K167-V205 HydrophobicContact CB-CG1 4.26Å
168	V	94.1	Very high	88.5	Confident	12 Å²	12	45 Å²	45	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-46	168.1	167.4	0	0	0	0	110.9	V164 E166 D170 L171 I172 V182 E184 V205	V164-V168 HydrophobicContact CG1-CG2 4.32Å; V164-V168 WeakPolarHBondContact O-CB 3.05Å; V164-V168 VanDerWaalsContact O-CG2 3.26Å; V164-V168 WeakPolarHBondContact O-CG2 3.49Å; V164-V168 PolarHBondContact O-N 3.19Å; E166-V168 VanDerWaalsContact C-N 3.34Å; E166-V168 PolarHBondContact O-N 3.05Å; V168-D170 PolarHBondContact O-N 2.86Å; V168-L171 PolarHBondContact O-N 3.24Å; V168-I172 HydrophobicContact CG1-CD1 3.7Å; V168-I172 HydrophobicContact CG1-CG1 4.36Å; V168-I172 WeakPolarHBondContact O-CD1 3.32Å; V168-I172 WeakPolarHBondContact O-CG1 3.03Å; V168-I172 PolarHBondContact O-N 2.82Å; V168-V182 HydrophobicContact CB-CG1 4.28Å; V168-V182 HydrophobicContact CG1-CG1 4.1Å; V168-V182 HydrophobicContact CG2-CG1 4.08Å; V168-E184 HydrophobicContact CG1-CB 4.41Å; V168-E184 HydrophobicContact CG2-CB 3.91Å; V168-E184 HydrophobicContact CG2-CG 4.08Å; V168-V205 HydrophobicContact CG2-CB 3.7Å; V168-V205 HydrophobicContact CG2-CG1 4.21Å; V168-V205 HydrophobicContact CG2-CG2 3.93Å
169	K	90.9	Very high	88.1	Confident	147 Å²	147	48.7 Å²	48.7	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-63	-41.4	176.9	-67.1	166.4	-174.9	175.7	0	111.8	Q165 E166 L171 P173	Q165-K169 WeakPolarHBondContact O-CD 3.04Å; Q165-K169 VanDerWaalsContact O-CG 3.3Å; Q165-K169 WeakPolarHBondContact O-CG 3.37Å; Q165-K169 PolarHBondContact O-N 3.48Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.91Å; K169-L171 PolarHBondContact O-N 2.75Å; K169-P173 WeakPolarHBondContact O-CD 3.24Å
170	D	85.3	Confident	88.1	Confident	16 Å²	16	48.5 Å²	48.5	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-33.8	179.2	-77	-14.7	0	0	0	114.1	R66 F101 E166 K167 V168	R66-D170 PolarHBondContact NH1-O 3.39Å; R66-D170 PolarHBondContact NH2-O 3.19Å; F101-D170 WeakPolarHBondContact CE2-OD2 3.19Å; E166-D170 PolarHBondContact O-N 2.77Å; K167-D170 WeakPolarHBondContact CE-OD2 3.35Å; K167-D170 IonicContact NZ-OD2 2.81Å; K167-D170 PolarHBondContact NZ-OD2 3.34Å; K167-D170 PolarHBondContact O-N 3.12Å; V168-D170 PolarHBondContact O-N 2.86Å
171	L	87.3	Confident	88.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-89.9	-24.3	-175.9	-70.4	170.5	0	0	0	113.1	E140 K167 V168 K169 L174 G175 V182 V203 V205	E140-L171 HydrophobicContact CG-CD2 4.32Å; K167-L171 VanDerWaalsContact O-CB 3.29Å; K167-L171 WeakPolarHBondContact O-CB 3.48Å; K167-L171 WeakPolarHBondContact O-CD1 3.18Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 2.8Å; V168-L171 PolarHBondContact O-N 3.24Å; K169-L171 PolarHBondContact O-N 2.75Å; L171-L174 HydrophobicContact CD2-CD1 4.2Å; L171-L174 WeakPolarHBondContact O-CB 3.36Å; L171-L174 PolarHBondContact O-N 3.42Å; L171-G175 PolarHBondContact O-N 2.97Å; L171-V182 HydrophobicContact CB-CG1 4.2Å; L171-V182 HydrophobicContact CB-CG2 3.75Å; L171-V203 HydrophobicContact CD1-CG1 4.23Å; L171-V205 HydrophobicContact CD1-CG2 3.97Å
172	I	89.8	Confident	88.3	Confident	75 Å²	75	43.3 Å²	43.3	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-55.1	-46.7	179.8	-81.1	162.7	0	0	0	113	V168 L174 G175 L176 V182	V168-I172 HydrophobicContact CG1-CD1 3.7Å; V168-I172 HydrophobicContact CG1-CG1 4.36Å; V168-I172 WeakPolarHBondContact O-CD1 3.32Å; V168-I172 WeakPolarHBondContact O-CG1 3.03Å; V168-I172 PolarHBondContact O-N 2.82Å; I172-L174 PolarHBondContact O-N 3.38Å; I172-G175 PolarHBondContact O-N 3.31Å; I172-L176 HydrophobicContact CG2-CD1 4.18Å; I172-L176 WeakPolarHBondContact O-CG 3.2Å; I172-L176 PolarHBondContact O-N 2.86Å; I172-V182 HydrophobicContact CG1-CB 4.09Å; I172-V182 HydrophobicContact CG1-CG1 4.47Å; I172-V182 HydrophobicContact CG1-CG2 4.46Å
173	P	84.3	Confident	88.4	Confident	27 Å²	27	40.9 Å²	40.9	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-46.2	175.9	-26.1	35.1	0	0	0	112.5	L65 L97 K169 G175 L176 D177	L65-P173 HydrophobicContact CD1-CB 4.39Å; L65-P173 HydrophobicContact CD2-CB 4.3Å; L97-P173 HydrophobicContact CD2-CB 4.41Å; K169-P173 WeakPolarHBondContact O-CD 3.24Å; P173-G175 VanDerWaalsContact C-N 3.31Å; P173-G175 PolarHBondContact O-N 3.18Å; P173-L176 PolarHBondContact O-N 3.28Å; P173-D177 PolarHBondContact O-N 2.9Å
174	L	80.8	Confident	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-40	176.3	-68.4	168.2	0	0	0	111.7	L61 L65 L144 L171 I172 D177 L178 F180	L61-L174 HydrophobicContact CB-CD2 4.07Å; L61-L174 HydrophobicContact CD1-CD2 4.37Å; L65-L174 HydrophobicContact CD1-CD2 3.55Å; L65-L174 HydrophobicContact CD1-CG 3.93Å; L144-L174 HydrophobicContact CD1-CD1 4.39Å; L171-L174 HydrophobicContact CD2-CD1 4.2Å; L171-L174 WeakPolarHBondContact O-CB 3.36Å; L171-L174 PolarHBondContact O-N 3.42Å; I172-L174 PolarHBondContact O-N 3.38Å; L174-D177 PolarHBondContact O-N 3.22Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 VanDerWaalsContact O-CB 3.24Å; L174-L178 WeakPolarHBondContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.32Å; L174-L178 PolarHBondContact O-N 2.95Å; L174-F180 HydrophobicContact CB-CE1 4.27Å; L174-F180 HydrophobicContact CB-CZ 3.87Å; L174-F180 WeakPolarHBondContact O-CE1 3.41Å
175	G	84.8	Confident	88.9	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-40	176.2	0	0	0	0	0	113.4	L171 I172 P173 D179 F180	L171-G175 PolarHBondContact O-N 2.97Å; I172-G175 PolarHBondContact O-N 3.31Å; P173-G175 VanDerWaalsContact C-N 3.31Å; P173-G175 PolarHBondContact O-N 3.18Å; G175-D179 CarbonylContact O-C 3.6Å; G175-D179 WeakPolarHBondContact O-CA 3.36Å; G175-D179 PolarHBondContact O-N 3.32Å; G175-F180 CarbonylContact C-O 3.53Å; G175-F180 VanDerWaalsContact C-O 3.27Å; G175-F180 VanDerWaalsContact CA-O 3.26Å; G175-F180 WeakPolarHBondContact CA-O 3.41Å; G175-F180 PolarHBondContact O-N 3.1Å
176	L	82.9	Confident	88.9	Confident	133 Å²	133	37 Å²	37	70%	0.696	19%	0.186	S	C	*	.	H	α-helix	trans	-64.7	-41	174.9	-68.8	172.1	0	0	0	112	I172 P173	I172-L176 HydrophobicContact CG2-CD1 4.18Å; I172-L176 WeakPolarHBondContact O-CG 3.2Å; I172-L176 PolarHBondContact O-N 2.86Å; P173-L176 PolarHBondContact O-N 3.28Å
177	D	78.3	Confident	89	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.193	19%	0.19	C	C	.	.	H	α-helix	trans	-80.9	-29.5	-178.6	-74.6	-45.9	0	0	0	114	K57 L61 P173 L174	K57-D177 WeakPolarHBondContact CE-O 3Å; K57-D177 PolarHBondContact NZ-O 3.03Å; L61-D177 HydrophobicContact CD1-CB 3.63Å; L61-D177 HydrophobicContact CD2-CB 3.88Å; L61-D177 WeakPolarHBondContact CD2-OD2 3.46Å; L61-D177 HydrophobicContact CG-CB 4.41Å; P173-D177 PolarHBondContact O-N 2.9Å; L174-D177 PolarHBondContact O-N 3.22Å
178	L	80	Confident	89	Confident	15 Å²	15	41 Å²	41	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-105.9	9.4	-177.2	-59.7	172	0	0	0	113.5	K57 V58 L61 L144 L174 F180	K57-L178 HydrophobicContact CD-CD2 4.24Å; K57-L178 HydrophobicContact CG-CD2 4.31Å; V58-L178 HydrophobicContact CG1-CD1 4.38Å; V58-L178 HydrophobicContact CG2-CD1 3.86Å; V58-L178 HydrophobicContact CG2-CD2 3.72Å; V58-L178 HydrophobicContact CG2-CG 4.47Å; L61-L178 HydrophobicContact CD1-CD1 3.98Å; L61-L178 HydrophobicContact CD1-CD2 3.66Å; L61-L178 HydrophobicContact CD1-CG 3.63Å; L144-L178 HydrophobicContact CD2-CD1 3.76Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 VanDerWaalsContact O-CB 3.24Å; L174-L178 WeakPolarHBondContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.32Å; L174-L178 PolarHBondContact O-N 2.95Å; L178-F180 HydrophobicContact CB-CD1 3.77Å; L178-F180 HydrophobicContact CB-CE1 3.79Å; L178-F180 HydrophobicContact CD1-CE1 4.11Å; L178-F180 PolarHBondContact O-N 3.16Å
179	D	84.3	Confident	89	Confident	80 Å²	80	44.8 Å²	44.8	43%	0.428	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.7	175.5	-151.2	47.2	0	0	0	116	G175 K200	G175-D179 CarbonylContact O-C 3.6Å; G175-D179 WeakPolarHBondContact O-CA 3.36Å; G175-D179 PolarHBondContact O-N 3.32Å; D179-K200 WeakPolarHBondContact O-CD 3.38Å; D179-K200 WeakPolarHBondContact O-CG 3.37Å; D179-K200 WeakPolarHBondContact OD1-CE 3.4Å; D179-K200 IonicContact OD1-NZ 2.59Å; D179-K200 PolarHBondContact OD1-NZ 3.29Å
180	F	88.9	Confident	89.1	Confident	8 Å²	8	39 Å²	39	4%	0.035	23%	0.226	C	C	.	.			trans	-110.2	159.7	170.5	68.8	-98.2	0	0	0	112.3	L144 I147 L174 G175 L178 V182 V203	L144-F180 HydrophobicContact CD2-CE1 3.46Å; L144-F180 VanDerWaalsContact CD2-CE1 3.46Å; L144-F180 HydrophobicContact CD2-CZ 3.72Å; I147-F180 HydrophobicContact CD1-CD1 4.1Å; I147-F180 HydrophobicContact CD1-CD2 4.06Å; I147-F180 HydrophobicContact CD1-CE1 4.21Å; I147-F180 HydrophobicContact CD1-CE2 4.18Å; I147-F180 HydrophobicContact CD1-CG 4.02Å; I147-F180 HydrophobicContact CD1-CZ 4.25Å; I147-F180 HydrophobicContact CG2-CB 3.73Å; I147-F180 HydrophobicContact CG2-CD1 3.93Å; I147-F180 HydrophobicContact CG2-CG 4.02Å; L174-F180 HydrophobicContact CB-CE1 4.27Å; L174-F180 HydrophobicContact CB-CZ 3.87Å; L174-F180 WeakPolarHBondContact O-CE1 3.41Å; G175-F180 CarbonylContact C-O 3.53Å; G175-F180 VanDerWaalsContact C-O 3.27Å; G175-F180 VanDerWaalsContact CA-O 3.26Å; G175-F180 WeakPolarHBondContact CA-O 3.41Å; G175-F180 PolarHBondContact O-N 3.1Å; L178-F180 HydrophobicContact CB-CD1 3.77Å; L178-F180 HydrophobicContact CB-CE1 3.79Å; L178-F180 HydrophobicContact CD1-CE1 4.11Å; L178-F180 PolarHBondContact O-N 3.16Å; F180-V182 HydrophobicContact CD2-CG2 4.11Å; F180-V182 HydrophobicContact CE2-CG2 3.69Å; F180-V203 HydrophobicContact CD2-CG2 3.65Å; F180-V203 HydrophobicContact CE2-CG2 3.73Å
181	L	92.7	Very high	89.5	Confident	41 Å²	41	46.2 Å²	46.2	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.6	176.5	-176.8	62.3	0	0	0	110.3	E183 R197 R201 S202 V203	L181-E183 HydrophobicContact CD2-CG 3.72Å; L181-E183 WeakPolarHBondContact CD2-OE1 3.12Å; L181-E183 HydrophobicContact CG-CG 3.81Å; L181-R197 VanDerWaalsContact CD2-NE 3.33Å; L181-R201 PolarHBondContact N-O 2.9Å; L181-S202 CarbonylContact O-C 3.32Å; L181-S202 WeakPolarHBondContact O-CA 3.32Å; L181-V203 PolarHBondContact O-N 2.65Å
182	V	94.7	Very high	89.8	Confident	18 Å²	18	49.3 Å²	49.3	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	168	-176.6	0	0	0	0	107.7	V168 L171 I172 F180 V203 V205	V168-V182 HydrophobicContact CB-CG1 4.28Å; V168-V182 HydrophobicContact CG1-CG1 4.1Å; V168-V182 HydrophobicContact CG2-CG1 4.08Å; L171-V182 HydrophobicContact CB-CG1 4.2Å; L171-V182 HydrophobicContact CB-CG2 3.75Å; I172-V182 HydrophobicContact CG1-CB 4.09Å; I172-V182 HydrophobicContact CG1-CG1 4.47Å; I172-V182 HydrophobicContact CG1-CG2 4.46Å; F180-V182 HydrophobicContact CD2-CG2 4.11Å; F180-V182 HydrophobicContact CE2-CG2 3.69Å; V182-V203 WeakPolarHBondContact CA-O 3.2Å; V182-V205 HydrophobicContact CG1-CG2 4.01Å
183	E	96.4	Very high	89.8	Confident	28 Å²	28	48.4 Å²	48.4	13%	0.131	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.2	-179.5	-58	-174.7	-139.2	0	0	111	L181 Y185 S202 V203 Y204 V205	L181-E183 HydrophobicContact CD2-CG 3.72Å; L181-E183 WeakPolarHBondContact CD2-OE1 3.12Å; L181-E183 HydrophobicContact CG-CG 3.81Å; E183-Y185 HydrophobicContact CB-CD2 4.16Å; E183-Y185 HydrophobicContact CB-CE2 3.56Å; E183-Y185 PolarHBondContact OE2-OH 2.86Å; E183-S202 WeakPolarHBondContact OE1-CB 3.14Å; E183-S202 PolarHBondContact OE1-OG 3.46Å; E183-V203 PolarHBondContact N-O 3.35Å; E183-Y204 HydrophobicContact CB-CD1 4.17Å; E183-Y204 HydrophobicContact CG-CD1 4.46Å; E183-Y204 WeakPolarHBondContact OE1-CE1 3.16Å; E183-V205 PolarHBondContact O-N 2.89Å
184	E	97.8	Very high	90.1	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.5	-178.8	-170.7	-175.5	161.1	0	0	111.5	V164 Q165 V168 A186 K189 G190	V164-E184 HydrophobicContact CG1-CG 3.98Å; Q165-E184 WeakPolarHBondContact CG-OE1 3.42Å; Q165-E184 PolarHBondContact NE2-OE1 2.97Å; V168-E184 HydrophobicContact CG1-CB 4.41Å; V168-E184 HydrophobicContact CG2-CB 3.91Å; V168-E184 HydrophobicContact CG2-CG 4.08Å; E184-A186 HydrophobicContact CG-CB 4.42Å; E184-K189 HydrophobicContact CG-CD 4.12Å; E184-K189 CarbonylContact O-C 3.04Å; E184-K189 WeakPolarHBondContact OE1-CD 3.45Å; E184-K189 WeakPolarHBondContact OE1-CE 3.38Å; E184-K189 IonicContact OE1-NZ 3.58Å; E184-K189 PolarHBondContact OE1-NZ 2.83Å; E184-K189 WeakPolarHBondContact OE2-CD 3.28Å; E184-K189 IonicContact OE2-NZ 2.87Å; E184-K189 PolarHBondContact OE2-NZ 3.02Å; E184-G190 WeakPolarHBondContact O-CA 3.35Å; E184-G190 PolarHBondContact O-N 2.81Å; E184-G190 VanDerWaalsContact O-N 3.1Å
185	Y	98.2	Very high	90.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	71	177	-75.3	-96.6	0	0	0	110.2	E183 G190 R191 I192 P194 Y204 V205 A206 T207 R210 L214	E183-Y185 HydrophobicContact CB-CD2 4.16Å; E183-Y185 HydrophobicContact CB-CE2 3.56Å; E183-Y185 PolarHBondContact OE2-OH 2.86Å; Y185-G190 VanDerWaalsContact CE1-C 3.48Å; Y185-G190 VanDerWaalsContact CE1-CA 3.5Å; Y185-R191 WeakPolarHBondContact CE1-O 3.49Å; Y185-R191 PolarHBondContact OH-O 3.24Å; Y185-I192 HydrophobicContact CE1-CG1 4.07Å; Y185-P194 WeakPolarHBondContact OH-CB 3.33Å; Y185-Y204 HydrophobicContact CD2-CD1 4.35Å; Y185-Y204 AromaticContact CE2-CD1 3.71Å; Y185-Y204 HydrophobicContact CE2-CD1 3.71Å; Y185-V205 PolarHBondContact N-O 3.02Å; Y185-A206 VanDerWaalsContact O-CA 3.24Å; Y185-A206 WeakPolarHBondContact O-CA 3.44Å; Y185-T207 PolarHBondContact O-N 3.04Å; Y185-T207 VanDerWaalsContact O-N 3.1Å; Y185-R210 WeakPolarHBondContact O-CB 3.41Å; Y185-R210 WeakPolarHBondContact O-CG 3.4Å; Y185-L214 HydrophobicContact CD1-CB 4.41Å; Y185-L214 HydrophobicContact CD1-CD1 4.43Å; Y185-L214 HydrophobicContact CD1-CD2 4.28Å; Y185-L214 HydrophobicContact CD2-CD2 4.18Å; Y185-L214 HydrophobicContact CE1-CD1 3.91Å; Y185-L214 HydrophobicContact CE1-CD2 4.43Å; Y185-L214 HydrophobicContact CE2-CD2 4.32Å; Y185-L214 HydrophobicContact CG-CD2 4.19Å
186	A	96	Very high	90.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-139.4	142.7	-179	0	0	0	0	0	111.4	V161 V164 E184 S188 K189 T207	V161-A186 HydrophobicContact CB-CB 4.31Å; V161-A186 HydrophobicContact CG1-CB 3.96Å; V161-A186 HydrophobicContact CG2-CB 4.18Å; V164-A186 HydrophobicContact CB-CB 4.03Å; V164-A186 HydrophobicContact CG1-CB 3.71Å; V164-A186 HydrophobicContact CG2-CB 4.39Å; E184-A186 HydrophobicContact CG-CB 4.42Å; A186-S188 PolarHBondContact O-N 2.8Å; A186-K189 WeakPolarHBondContact O-CB 3.26Å; A186-K189 PolarHBondContact O-N 2.88Å; A186-T207 HydrophobicContact CB-CG2 3.93Å
187	A	92.4	Very high	90.4	Very high	62 Å²	62	56.1 Å²	56.1	51%	0.512	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	-128.1	-170.8	0	0	0	0	0	111.2	V161 K189 R210	V161-A187 HydrophobicContact CG1-CB 4.46Å; V161-A187 HydrophobicContact CG2-CB 4.32Å; A187-K189 VanDerWaalsContact C-N 3.29Å; A187-K189 PolarHBondContact O-N 2.9Å; A187-R210 WeakPolarHBondContact O-CD 3.49Å; A187-R210 PolarHBondContact O-NE 3.33Å
188	S	90.2	Very high	90.3	Very high	123 Å²	123	66.2 Å²	66.2	86%	0.86	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.2	178.1	53.9	0	0	0	0	115.1	A186	A186-S188 PolarHBondContact O-N 2.8Å
189	K	93.9	Very high	90.2	Very high	90 Å²	90	77 Å²	77	39%	0.391	37%	0.367	S	S	.	.			trans	-88.2	161.6	-179.2	-64.4	171.3	174.3	180	0	112.8	E184 A186 A187 R210	E184-K189 HydrophobicContact CG-CD 4.12Å; E184-K189 CarbonylContact O-C 3.04Å; E184-K189 WeakPolarHBondContact OE1-CD 3.45Å; E184-K189 WeakPolarHBondContact OE1-CE 3.38Å; E184-K189 IonicContact OE1-NZ 3.58Å; E184-K189 PolarHBondContact OE1-NZ 2.83Å; E184-K189 WeakPolarHBondContact OE2-CD 3.28Å; E184-K189 IonicContact OE2-NZ 2.87Å; E184-K189 PolarHBondContact OE2-NZ 3.02Å; A186-K189 WeakPolarHBondContact O-CB 3.26Å; A186-K189 PolarHBondContact O-N 2.88Å; A187-K189 VanDerWaalsContact C-N 3.29Å; A187-K189 PolarHBondContact O-N 2.9Å; K189-R210 PolarHBondContact O-NE 2.69Å; K189-R210 PolarHBondContact O-NH2 3.12Å
190	G	92.6	Very high	90.3	Very high	25 Å²	25	77.1 Å²	77.1	26%	0.258	36%	0.364	S	S	.	.	S	Bend	trans	96	110.9	179.8	0	0	0	0	0	111.5	E184 Y185 R210	E184-G190 WeakPolarHBondContact O-CA 3.35Å; E184-G190 PolarHBondContact O-N 2.81Å; E184-G190 VanDerWaalsContact O-N 3.1Å; Y185-G190 VanDerWaalsContact CE1-C 3.48Å; Y185-G190 VanDerWaalsContact CE1-CA 3.5Å; G190-R210 PolarHBondContact O-NH2 3.44Å
191	R	93.7	Very high	90.3	Very high	169 Å²	169	80.9 Å²	80.9	64%	0.638	38%	0.378	S	S	*	.			trans	-72	130.7	-178.2	179.6	-177.9	169.8	164.6	2.1	110	Y185 P193	Y185-R191 WeakPolarHBondContact CE1-O 3.49Å; Y185-R191 PolarHBondContact OH-O 3.24Å; R191-P193 CarbonylContact O-C 3.21Å; R191-P193 VanDerWaalsContact O-C 3.32Å
192	I	92.6	Very high	90.5	Very high	65 Å²	65	79.1 Å²	79.1	33%	0.333	37%	0.369	S	S	.	.	S	Bend	trans	-118	126.4	174	-66.7	-170	0	0	0	108.8	Y185 R210 T213 S217	Y185-I192 HydrophobicContact CE1-CG1 4.07Å; I192-R210 VanDerWaalsContact CD1-NH1 3.28Å; I192-T213 HydrophobicContact CD1-CG2 3.4Å; I192-S217 WeakPolarHBondContact CG2-OG 3.5Å
193	P	90.7	Very high	90.6	Very high	56 Å²	56	78.2 Å²	78.2	36%	0.364	36%	0.364	S	S	.	.	S	Bend	cis	-67.7	152.9	-8	29.2	-35.7	0	0	0	113.4	R191 S217	R191-P193 CarbonylContact O-C 3.21Å; R191-P193 VanDerWaalsContact O-C 3.32Å; P193-S217 WeakPolarHBondContact CA-OG 3.33Å; P193-S217 WeakPolarHBondContact CB-OG 3.26Å
194	P	91.1	Very high	90.6	Very high	5 Å²	5	76.9 Å²	76.9	3%	0.032	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-61.1	144.3	173.4	24.6	-34.4	0	0	0	111.1	Y185 K196 Y204 L214 L218 R223	Y185-P194 WeakPolarHBondContact OH-CB 3.33Å; P194-K196 PolarHBondContact O-N 3.22Å; P194-Y204 HydrophobicContact CB-CE1 3.94Å; P194-L214 HydrophobicContact CB-CD1 4.2Å; P194-L214 HydrophobicContact CG-CD1 3.7Å; P194-L218 HydrophobicContact CG-CD2 3.71Å; P194-L218 HydrophobicContact CG-CG 4.3Å; P194-R223 PolarHBondContact O-NH1 2.82Å
195	I	89.3	Confident	90.6	Very high	77 Å²	77	75 Å²	75	40%	0.395	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-73.4	116.1	-177.8	-54.9	176.4	0	0	0	109.9	R197	I195-R197 PolarHBondContact O-N 2.95Å
196	K	82.3	Confident	90.6	Very high	118 Å²	118	75 Å²	75	51%	0.513	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.4	118.8	176.8	-169.8	167.8	-177.1	121.2	0	110.6	P194 R223 D226	P194-K196 PolarHBondContact O-N 3.22Å; K196-R223 HydrophobicContact CD-CG 4.35Å; K196-D226 IonicContact NZ-OD1 2.76Å; K196-D226 IonicContact NZ-OD2 2.69Å; K196-D226 PolarHBondContact NZ-OD2 3.5Å
197	R	82.2	Confident	90.5	Very high	123 Å²	123	75.2 Å²	75.2	46%	0.464	35%	0.35	S	S	.	.			trans	-108.2	128.3	176	-59.5	-171.3	-174.6	-140.8	7.1	109.9	L181 I195	L181-R197 VanDerWaalsContact CD2-NE 3.33Å; I195-R197 PolarHBondContact O-N 2.95Å
198	R	76.4	Confident	90.5	Very high	249 Å²	249	72.8 Å²	72.8	94%	0.94	33%	0.328	S	S	*	.	S	Bend	trans	-78.3	-18	-174.5	-70.4	-174.9	179.7	162.1	0.3	115.1
199	R	78.5	Confident	90.5	Very high	242 Å²	242	70.1 Å²	70.1	91%	0.913	30%	0.302	S	S	*	.	S	Bend	trans	-117.4	-19.9	-170.5	-69.8	-175.2	179.1	162.5	-0.2	115.3
200	K	85.7	Confident	90.6	Very high	81 Å²	81	67.7 Å²	67.7	35%	0.352	29%	0.29	S	S	.	.			trans	-124	146.2	-178	-57	-163.6	-175.9	-155.8	0	109.4	D179	D179-K200 WeakPolarHBondContact O-CD 3.38Å; D179-K200 WeakPolarHBondContact O-CG 3.37Å; D179-K200 WeakPolarHBondContact OD1-CE 3.4Å; D179-K200 IonicContact OD1-NZ 2.59Å; D179-K200 PolarHBondContact OD1-NZ 3.29Å
201	R	89.8	Confident	90.7	Very high	87 Å²	87	66.5 Å²	66.5	33%	0.328	28%	0.278	S	S	.	.			trans	-89.2	155.1	170	-60.3	-51.4	-173.5	169.1	10.6	110.7	I147 G151 D153 L181 D226	I147-R201 HydrophobicContact CG2-CB 4.44Å; G151-R201 PolarHBondContact O-NE 3.1Å; G151-R201 PolarHBondContact O-NH2 2.89Å; D153-R201 VanDerWaalsContact OD1-CA 3.27Å; D153-R201 WeakPolarHBondContact OD1-CA 3.48Å; D153-R201 WeakPolarHBondContact OD1-CB 3.26Å; D153-R201 VanDerWaalsContact OD1-CD 3.31Å; D153-R201 WeakPolarHBondContact OD1-CD 3.38Å; L181-R201 PolarHBondContact N-O 2.9Å; R201-D226 IonicContact NH1-OD1 2.59Å
202	S	95.6	Very high	90.7	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	178.6	-74.2	0	0	0	0	111.5	D153 V154 L181 E183 Y204	D153-S202 WeakPolarHBondContact CA-O 3.49Å; D153-S202 WeakPolarHBondContact CB-O 3.19Å; D153-S202 PolarHBondContact OD1-N 3.37Å; V154-S202 PolarHBondContact N-O 3.35Å; L181-S202 CarbonylContact O-C 3.32Å; L181-S202 WeakPolarHBondContact O-CA 3.32Å; E183-S202 WeakPolarHBondContact OE1-CB 3.14Å; E183-S202 PolarHBondContact OE1-OG 3.46Å; S202-Y204 VanDerWaalsContact CB-CZ 3.46Å
203	V	96.7	Very high	90.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.8	160.9	-174.2	0	0	0	0	107.2	I143 I147 V154 L171 F180 L181 V182 E183 V205	I143-V203 HydrophobicContact CG2-CG1 4.01Å; I143-V203 HydrophobicContact CG2-CG2 3.93Å; I147-V203 HydrophobicContact CD1-CG2 3.22Å; I147-V203 HydrophobicContact CG1-CG2 4.08Å; V154-V203 WeakPolarHBondContact O-CA 2.92Å; L171-V203 HydrophobicContact CD1-CG1 4.23Å; F180-V203 HydrophobicContact CD2-CG2 3.65Å; F180-V203 HydrophobicContact CE2-CG2 3.73Å; L181-V203 PolarHBondContact O-N 2.65Å; V182-V203 WeakPolarHBondContact CA-O 3.2Å; E183-V203 PolarHBondContact N-O 3.35Å; V203-V205 HydrophobicContact CG1-CG2 4.05Å
204	Y	97.9	Very high	91.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.1	174.2	-49.5	-73.1	0	0	0	107.9	D153 V154 L155 F156 E183 Y185 P194 S202 L214 L218 R223 L227	D153-Y204 HydrophobicContact CB-CE2 3.82Å; D153-Y204 WeakPolarHBondContact OD2-CE2 3.05Å; D153-Y204 PolarHBondContact OD2-OH 2.9Å; V154-Y204 WeakPolarHBondContact O-CD2 3.38Å; V154-Y204 PolarHBondContact O-N 2.77Å; L155-Y204 CarbonylContact C-O 3.53Å; L155-Y204 WeakPolarHBondContact CA-O 3.45Å; F156-Y204 PolarHBondContact N-O 3.44Å; E183-Y204 HydrophobicContact CB-CD1 4.17Å; E183-Y204 HydrophobicContact CG-CD1 4.46Å; E183-Y204 WeakPolarHBondContact OE1-CE1 3.16Å; Y185-Y204 HydrophobicContact CD2-CD1 4.35Å; Y185-Y204 AromaticContact CE2-CD1 3.71Å; Y185-Y204 HydrophobicContact CE2-CD1 3.71Å; P194-Y204 HydrophobicContact CB-CE1 3.94Å; S202-Y204 VanDerWaalsContact CB-CZ 3.46Å; Y204-L214 VanDerWaalsContact CB-CD2 3.46Å; Y204-L214 HydrophobicContact CD1-CD2 3.94Å; Y204-L214 HydrophobicContact CD2-CD2 4.16Å; Y204-L214 HydrophobicContact CG-CD2 3.6Å; Y204-L218 HydrophobicContact CE2-CD1 4.4Å; Y204-R223 PolarHBondContact OH-NH2 3.14Å; Y204-L227 HydrophobicContact CD2-CD1 4.37Å
205	V	98.2	Very high	91.4	Very high	0 Å²	0	57 Å²	57	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.1	176.8	-167.4	0	0	0	0	107.7	F156 L158 V164 K167 V168 L171 V182 E183 Y185 V203	F156-V205 HydrophobicContact CD1-CG1 4.3Å; F156-V205 WeakPolarHBondContact O-CA 3.42Å; L158-V205 HydrophobicContact CD1-CG1 3.66Å; V164-V205 HydrophobicContact CB-CG1 4.35Å; V164-V205 HydrophobicContact CG1-CB 4.24Å; V164-V205 HydrophobicContact CG1-CG1 3.89Å; V164-V205 WeakPolarHBondContact CG1-O 3.34Å; V164-V205 HydrophobicContact CG2-CG1 4.43Å; K167-V205 HydrophobicContact CB-CG1 4.26Å; V168-V205 HydrophobicContact CG2-CB 3.7Å; V168-V205 HydrophobicContact CG2-CG1 4.21Å; V168-V205 HydrophobicContact CG2-CG2 3.93Å; L171-V205 HydrophobicContact CD1-CG2 3.97Å; V182-V205 HydrophobicContact CG1-CG2 4.01Å; E183-V205 PolarHBondContact O-N 2.89Å; Y185-V205 PolarHBondContact N-O 3.02Å; V203-V205 HydrophobicContact CG1-CG2 4.05Å
206	A	97.5	Very high	91.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.6	-161.5	0	0	0	0	0	114	L155 F156 V157 L158 Y185 A211	L155-A206 HydrophobicContact CD1-CB 3.88Å; F156-A206 PolarHBondContact O-N 3.23Å; V157-A206 WeakPolarHBondContact CA-O 3.28Å; L158-A206 PolarHBondContact N-O 3.27Å; Y185-A206 VanDerWaalsContact O-CA 3.24Å; Y185-A206 WeakPolarHBondContact O-CA 3.44Å; A206-A211 HydrophobicContact CB-CB 3.88Å
207	T	94.6	Very high	92.3	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	161.5	159.4	73.2	0	0	0	0	110.4	L158 V161 V164 Y185 A186 E209 R210 A211	L158-T207 WeakPolarHBondContact O-CA 3.44Å; V161-T207 HydrophobicContact CG2-CG2 3.84Å; V164-T207 HydrophobicContact CG2-CG2 4.02Å; Y185-T207 PolarHBondContact O-N 3.04Å; Y185-T207 VanDerWaalsContact O-N 3.1Å; A186-T207 HydrophobicContact CB-CG2 3.93Å; T207-E209 VanDerWaalsContact C-N 3.3Å; T207-E209 WeakPolarHBondContact CB-OE2 3.5Å; T207-E209 PolarHBondContact O-N 3.26Å; T207-E209 PolarHBondContact OG1-OE2 2.93Å; T207-R210 PolarHBondContact O-N 2.63Å; T207-R210 VanDerWaalsContact O-N 3.14Å; T207-R210 WeakPolarHBondContact OG1-CG 3.44Å; T207-A211 VanDerWaalsContact O-CB 3.26Å; T207-A211 WeakPolarHBondContact O-CB 3.45Å; T207-A211 PolarHBondContact O-N 3.18Å
208	I	91.7	Very high	93	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-52.6	-46.9	-177.2	-59.6	172	0	0	0	111.8	V157 R210 A211 Q212 R249 A252 L253	V157-I208 HydrophobicContact CG1-CB 4.32Å; V157-I208 HydrophobicContact CG1-CG1 3.78Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 2.61Å; I208-A211 WeakPolarHBondContact O-CB 3.49Å; I208-A211 PolarHBondContact O-N 3.17Å; I208-Q212 PolarHBondContact O-N 3.2Å; I208-R249 HydrophobicContact CD1-CB 4.44Å; I208-A252 HydrophobicContact CG2-CB 3.97Å; I208-L253 HydrophobicContact CG2-CB 3.92Å
209	E	90.9	Very high	93.9	Very high	67 Å²	67	38 Å²	38	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-66.3	-39.1	-176.7	-44.5	84.6	172.8	0	0	111.1	T207 T213 R249	T207-E209 VanDerWaalsContact C-N 3.3Å; T207-E209 WeakPolarHBondContact CB-OE2 3.5Å; T207-E209 PolarHBondContact O-N 3.26Å; T207-E209 PolarHBondContact OG1-OE2 2.93Å; E209-T213 PolarHBondContact O-N 3.27Å; E209-T213 PolarHBondContact O-OG1 2.85Å; E209-R249 IonicContact OE1-CZ 3.52Å; E209-R249 IonicContact OE1-NE 2.93Å; E209-R249 PolarHBondContact OE1-NE 2.72Å; E209-R249 IonicContact OE1-NH2 3.23Å; E209-R249 PolarHBondContact OE1-NH2 3.23Å
210	R	94.4	Very high	94.7	Very high	40 Å²	40	32.8 Å²	32.8	15%	0.151	15%	0.149	C	C	.	.	H	α-helix	trans	-76.6	-33.6	178.5	-61.1	-65.6	-66.9	119.5	1.2	112.2	Y185 A187 K189 G190 I192 T207 I208 T213 L214	Y185-R210 WeakPolarHBondContact O-CB 3.41Å; Y185-R210 WeakPolarHBondContact O-CG 3.4Å; A187-R210 WeakPolarHBondContact O-CD 3.49Å; A187-R210 PolarHBondContact O-NE 3.33Å; K189-R210 PolarHBondContact O-NE 2.69Å; K189-R210 PolarHBondContact O-NH2 3.12Å; G190-R210 PolarHBondContact O-NH2 3.44Å; I192-R210 VanDerWaalsContact CD1-NH1 3.28Å; T207-R210 PolarHBondContact O-N 2.63Å; T207-R210 VanDerWaalsContact O-N 3.14Å; T207-R210 WeakPolarHBondContact OG1-CG 3.44Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 2.61Å; R210-T213 PolarHBondContact O-N 3.47Å; R210-L214 VanDerWaalsContact O-CB 3.31Å; R210-L214 WeakPolarHBondContact O-CB 3.37Å; R210-L214 PolarHBondContact O-N 3.1Å
211	A	95.8	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.1	0	0	0	0	0	111.2	L155 V157 A206 T207 I208 L214 A215 L256	L155-A211 HydrophobicContact CD1-CB 4.19Å; L155-A211 HydrophobicContact CD2-CB 4.21Å; V157-A211 HydrophobicContact CG1-CB 4.06Å; V157-A211 HydrophobicContact CG2-CB 3.72Å; A206-A211 HydrophobicContact CB-CB 3.88Å; T207-A211 VanDerWaalsContact O-CB 3.26Å; T207-A211 WeakPolarHBondContact O-CB 3.45Å; T207-A211 PolarHBondContact O-N 3.18Å; I208-A211 WeakPolarHBondContact O-CB 3.49Å; I208-A211 PolarHBondContact O-N 3.17Å; A211-L214 PolarHBondContact O-N 3.37Å; A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 2.96Å; A211-L256 HydrophobicContact CB-CD2 3.82Å
212	Q	94	Very high	95.3	Very high	36 Å²	36	37.9 Å²	37.9	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-47.6	172.1	-168.6	-169.2	5.2	0	0	111.6	I208 L214 A215 N216	I208-Q212 PolarHBondContact O-N 3.2Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.98Å; Q212-A215 PolarHBondContact O-N 2.85Å; Q212-N216 PolarHBondContact O-N 3.04Å; Q212-N216 PolarHBondContact O-OD1 3.35Å
213	T	95.3	Very high	95.2	Very high	58 Å²	58	38.4 Å²	38.4	36%	0.356	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-40.1	178.4	-37.2	0	0	0	0	111.8	I192 E209 R210 S217	I192-T213 HydrophobicContact CD1-CG2 3.4Å; E209-T213 PolarHBondContact O-N 3.27Å; E209-T213 PolarHBondContact O-OG1 2.85Å; R210-T213 PolarHBondContact O-N 3.47Å; T213-S217 PolarHBondContact O-N 3Å; T213-S217 VanDerWaalsContact O-N 3.13Å
214	L	96.6	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-43.5	177.7	175.4	61.7	0	0	0	112	L155 Y185 P194 Y204 R210 A211 Q212 N216 S217 L218	L155-L214 HydrophobicContact CD1-CD2 4.02Å; Y185-L214 HydrophobicContact CD1-CB 4.41Å; Y185-L214 HydrophobicContact CD1-CD1 4.43Å; Y185-L214 HydrophobicContact CD1-CD2 4.28Å; Y185-L214 HydrophobicContact CD2-CD2 4.18Å; Y185-L214 HydrophobicContact CE1-CD1 3.91Å; Y185-L214 HydrophobicContact CE1-CD2 4.43Å; Y185-L214 HydrophobicContact CE2-CD2 4.32Å; Y185-L214 HydrophobicContact CG-CD2 4.19Å; P194-L214 HydrophobicContact CB-CD1 4.2Å; P194-L214 HydrophobicContact CG-CD1 3.7Å; Y204-L214 VanDerWaalsContact CB-CD2 3.46Å; Y204-L214 HydrophobicContact CD1-CD2 3.94Å; Y204-L214 HydrophobicContact CD2-CD2 4.16Å; Y204-L214 HydrophobicContact CG-CD2 3.6Å; R210-L214 VanDerWaalsContact O-CB 3.31Å; R210-L214 WeakPolarHBondContact O-CB 3.37Å; R210-L214 PolarHBondContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 3.37Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-L214 PolarHBondContact O-N 2.98Å; L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 2.82Å; L214-S217 PolarHBondContact O-N 3.14Å; L214-L218 HydrophobicContact CD1-CD1 4.26Å; L214-L218 HydrophobicContact CD1-CG 4.21Å; L214-L218 HydrophobicContact CG-CD1 4.14Å; L214-L218 WeakPolarHBondContact O-CG 3.12Å; L214-L218 PolarHBondContact O-N 2.92Å
215	A	96	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-41	176.4	0	0	0	0	0	111.9	A211 Q212 S217 L218 Y219 I224 L256	A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 2.96Å; Q212-A215 PolarHBondContact O-N 2.85Å; A215-S217 PolarHBondContact O-N 2.94Å; A215-L218 PolarHBondContact O-N 3.45Å; A215-Y219 WeakPolarHBondContact O-CB 3.46Å; A215-Y219 PolarHBondContact O-N 2.9Å; A215-I224 HydrophobicContact CB-CD1 4.47Å; A215-L256 HydrophobicContact CB-CD1 3.58Å
216	N	95.4	Very high	94.6	Very high	39 Å²	39	44.8 Å²	44.8	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-56.1	-50.6	171.8	-64.6	-11.6	0	0	0	110.9	Q212 L214 L218 Y219 E220 K259	Q212-N216 PolarHBondContact O-N 3.04Å; Q212-N216 PolarHBondContact O-OD1 3.35Å; L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 2.82Å; N216-L218 PolarHBondContact O-N 3.34Å; N216-Y219 WeakPolarHBondContact O-CB 3.41Å; N216-Y219 PolarHBondContact O-N 3.43Å; N216-Y219 VanDerWaalsContact O-N 3.17Å; N216-E220 WeakPolarHBondContact O-CG 3.47Å; N216-E220 PolarHBondContact O-N 2.92Å; N216-K259 PolarHBondContact OD1-NZ 2.65Å
217	S	96.4	Very high	94.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-38.7	-178.6	-167.4	0	0	0	0	113.2	I192 P193 T213 L214 A215 Y219 N221	I192-S217 WeakPolarHBondContact CG2-OG 3.5Å; P193-S217 WeakPolarHBondContact CA-OG 3.33Å; P193-S217 WeakPolarHBondContact CB-OG 3.26Å; T213-S217 PolarHBondContact O-N 3Å; T213-S217 VanDerWaalsContact O-N 3.13Å; L214-S217 PolarHBondContact O-N 3.14Å; A215-S217 PolarHBondContact O-N 2.94Å; S217-Y219 VanDerWaalsContact C-N 3.32Å; S217-Y219 PolarHBondContact O-N 2.94Å; S217-N221 VanDerWaalsContact O-CB 3.31Å; S217-N221 WeakPolarHBondContact O-CB 3.36Å; S217-N221 PolarHBondContact O-N 2.85Å; S217-N221 PolarHBondContact O-ND2 2.81Å
218	L	95.8	Very high	94.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-38.5	173.4	-73.6	172.3	0	0	0	111.6	P194 Y204 L214 A215 N216 K222 R223 I224	P194-L218 HydrophobicContact CG-CD2 3.71Å; P194-L218 HydrophobicContact CG-CG 4.3Å; Y204-L218 HydrophobicContact CE2-CD1 4.4Å; L214-L218 HydrophobicContact CD1-CD1 4.26Å; L214-L218 HydrophobicContact CD1-CG 4.21Å; L214-L218 HydrophobicContact CG-CD1 4.14Å; L214-L218 WeakPolarHBondContact O-CG 3.12Å; L214-L218 PolarHBondContact O-N 2.92Å; A215-L218 PolarHBondContact O-N 3.45Å; N216-L218 PolarHBondContact O-N 3.34Å; L218-K222 PolarHBondContact O-N 3.25Å; L218-R223 HydrophobicContact CD2-CB 3.9Å; L218-R223 CarbonylContact O-C 3.57Å; L218-R223 WeakPolarHBondContact O-CA 3.18Å; L218-R223 PolarHBondContact O-N 3.34Å; L218-I224 HydrophobicContact CB-CD1 3.98Å; L218-I224 PolarHBondContact O-N 3.49Å; L218-I224 VanDerWaalsContact O-N 3.11Å
219	Y	95.5	Very high	94.6	Very high	125 Å²	125	44.3 Å²	44.3	49%	0.49	21%	0.21	S	C	.	.	H	α-helix	trans	-65	-53.9	174.3	176.6	-102.2	0	0	0	112.1	A215 N216 S217 N221 K222 I224 C263	A215-Y219 WeakPolarHBondContact O-CB 3.46Å; A215-Y219 PolarHBondContact O-N 2.9Å; N216-Y219 WeakPolarHBondContact O-CB 3.41Å; N216-Y219 PolarHBondContact O-N 3.43Å; N216-Y219 VanDerWaalsContact O-N 3.17Å; S217-Y219 VanDerWaalsContact C-N 3.32Å; S217-Y219 PolarHBondContact O-N 2.94Å; Y219-N221 PolarHBondContact O-N 3.25Å; Y219-K222 PolarHBondContact O-N 3.18Å; Y219-I224 HydrophobicContact CD2-CG2 4.32Å; Y219-C263 HydrophobicContact CD2-CB 3.71Å; Y219-C263 HydrophobicContact CE2-CB 3.86Å; Y219-C263 VanDerWaalsContact CE2-SG 3.58Å
220	E	95.8	Very high	94.9	Very high	133 Å²	133	41.1 Å²	41.1	62%	0.621	20%	0.195	S	C	*	.	H	α-helix	trans	-53.4	-39.3	177.3	-71.5	157.9	-162.6	0	0	112.4	N216 K222	N216-E220 WeakPolarHBondContact O-CG 3.47Å; N216-E220 PolarHBondContact O-N 2.92Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 2.96Å
221	N	93.9	Very high	95	Very high	79 Å²	79	39.2 Å²	39.2	42%	0.422	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	10.6	-179.1	-72.8	-98.7	0	0	0	113.7	S217 Y219 R223	S217-N221 VanDerWaalsContact O-CB 3.31Å; S217-N221 WeakPolarHBondContact O-CB 3.36Å; S217-N221 PolarHBondContact O-N 2.85Å; S217-N221 PolarHBondContact O-ND2 2.81Å; Y219-N221 PolarHBondContact O-N 3.25Å; N221-R223 VanDerWaalsContact C-N 3.32Å; N221-R223 WeakPolarHBondContact O-CG 3.35Å; N221-R223 PolarHBondContact O-N 3.45Å
222	K	93.1	Very high	94.8	Very high	195 Å²	195	39.3 Å²	39.3	85%	0.848	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	46.1	-178.4	-56.9	-177	-179.2	-178.4	0	112.9	L218 Y219 E220	L218-K222 PolarHBondContact O-N 3.25Å; Y219-K222 PolarHBondContact O-N 3.18Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 2.96Å
223	R	93.4	Very high	94.6	Very high	16 Å²	16	38.4 Å²	38.4	6%	0.06	19%	0.185	C	C	.	.			trans	-129.6	3.6	-177.1	-73.5	177.6	65.6	-160	-10	113.9	P194 K196 Y204 L218 N221 D225 D226	P194-R223 PolarHBondContact O-NH1 2.82Å; K196-R223 HydrophobicContact CD-CG 4.35Å; Y204-R223 PolarHBondContact OH-NH2 3.14Å; L218-R223 HydrophobicContact CD2-CB 3.9Å; L218-R223 CarbonylContact O-C 3.57Å; L218-R223 WeakPolarHBondContact O-CA 3.18Å; L218-R223 PolarHBondContact O-N 3.34Å; N221-R223 VanDerWaalsContact C-N 3.32Å; N221-R223 WeakPolarHBondContact O-CG 3.35Å; N221-R223 PolarHBondContact O-N 3.45Å; R223-D225 PolarHBondContact O-N 3.1Å; R223-D226 IonicContact NE-OD2 3.6Å; R223-D226 VanDerWaalsContact O-CB 3.32Å; R223-D226 WeakPolarHBondContact O-CB 3.2Å; R223-D226 PolarHBondContact O-N 3.09Å
224	I	94.1	Very high	93.9	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.036	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.3	-33	179.8	-161.1	68.3	0	0	0	111.6	A215 L218 Y219 D226 L227 L260 C263	A215-I224 HydrophobicContact CB-CD1 4.47Å; L218-I224 HydrophobicContact CB-CD1 3.98Å; L218-I224 PolarHBondContact O-N 3.49Å; L218-I224 VanDerWaalsContact O-N 3.11Å; Y219-I224 HydrophobicContact CD2-CG2 4.32Å; I224-D226 VanDerWaalsContact C-N 3.33Å; I224-D226 PolarHBondContact O-N 3.26Å; I224-L227 WeakPolarHBondContact O-CB 3.22Å; I224-L227 PolarHBondContact O-N 2.99Å; I224-L227 VanDerWaalsContact O-N 3.07Å; I224-L260 HydrophobicContact CD1-CD2 4.07Å; I224-C263 WeakPolarHBondContact CG2-O 3.38Å
225	D	92.8	Very high	92.6	Very high	91 Å²	91	37.9 Å²	37.9	49%	0.487	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-77	-11.1	177.4	-55.3	-52.9	0	0	0	115.3	K152 R223 L227 S264	K152-D225 WeakPolarHBondContact CE-O 3.41Å; K152-D225 PolarHBondContact NZ-O 3.03Å; R223-D225 PolarHBondContact O-N 3.1Å; D225-L227 PolarHBondContact O-N 2.99Å; D225-S264 PolarHBondContact OD1-OG 3.15Å
226	D	93	Very high	90.9	Very high	35 Å²	35	40.6 Å²	40.6	19%	0.187	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-64.2	-28	165.4	-76.5	-45.1	0	0	0	109.6	K152 D153 K196 R201 R223 I224	K152-D226 WeakPolarHBondContact CB-O 3.38Å; D153-D226 PolarHBondContact N-O 3.22Å; K196-D226 IonicContact NZ-OD1 2.76Å; K196-D226 IonicContact NZ-OD2 2.69Å; K196-D226 PolarHBondContact NZ-OD2 3.5Å; R201-D226 IonicContact NH1-OD1 2.59Å; R223-D226 IonicContact NE-OD2 3.6Å; R223-D226 VanDerWaalsContact O-CB 3.32Å; R223-D226 WeakPolarHBondContact O-CB 3.2Å; R223-D226 PolarHBondContact O-N 3.09Å; I224-D226 VanDerWaalsContact C-N 3.33Å; I224-D226 PolarHBondContact O-N 3.26Å
227	L	94.9	Very high	88.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.7	173.2	-157.4	66.4	0	0	0	110.3	K152 D153 L155 Y204 I224 D225 V230 L260	K152-L227 PolarHBondContact NZ-O 3.39Å; D153-L227 HydrophobicContact CB-CD1 4.27Å; L155-L227 HydrophobicContact CB-CD1 3.85Å; L155-L227 HydrophobicContact CB-CD2 4.26Å; L155-L227 HydrophobicContact CD2-CD2 4.46Å; Y204-L227 HydrophobicContact CD2-CD1 4.37Å; I224-L227 WeakPolarHBondContact O-CB 3.22Å; I224-L227 PolarHBondContact O-N 2.99Å; I224-L227 VanDerWaalsContact O-N 3.07Å; D225-L227 PolarHBondContact O-N 2.99Å; L227-V230 HydrophobicContact CD2-CG2 3.56Å; L227-V230 HydrophobicContact CG-CG2 4.18Å; L227-L260 HydrophobicContact CD2-CD2 3.81Å
228	G	94	Very high	86.5	Confident	1 Å²	1	43 Å²	43	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-14.7	-179.1	0	0	0	0	0	115.9	Q146 K152 D153 C267 Q268	Q146-G228 VanDerWaalsContact NE2-CA 3.34Å; Q146-G228 PolarHBondContact NE2-O 3.41Å; Q146-G228 VanDerWaalsContact NE2-O 3.16Å; K152-G228 VanDerWaalsContact CD-CA 3.42Å; D153-G228 PolarHBondContact O-N 3.5Å; G228-C267 VanDerWaalsContact C-SG 3.54Å; G228-Q268 PolarHBondContact O-N 3.01Å
229	L	96.2	Very high	84.1	Confident	2 Å²	2	47 Å²	47	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	134.9	173	174.9	64.8	0	0	0	108.3	L142 Q146 V154 L155 V231 Q268 I270	L142-L229 HydrophobicContact CB-CD2 4.13Å; L142-L229 WeakPolarHBondContact O-CD2 3.46Å; Q146-L229 HydrophobicContact CB-CB 3.93Å; Q146-L229 HydrophobicContact CB-CD2 3.95Å; Q146-L229 HydrophobicContact CG-CB 3.58Å; V154-L229 WeakPolarHBondContact CA-O 3.32Å; V154-L229 HydrophobicContact CG1-CB 4.12Å; V154-L229 HydrophobicContact CG1-CD2 4.13Å; V154-L229 HydrophobicContact CG1-CG 4.16Å; V154-L229 HydrophobicContact CG2-CB 4.4Å; L155-L229 PolarHBondContact N-O 3.2Å; L229-V231 HydrophobicContact CD1-CG2 4.08Å; L229-V231 HydrophobicContact CD2-CG2 3.79Å; L229-V231 HydrophobicContact CG-CG2 3.83Å; L229-Q268 CarbonylContact C-O 3.52Å; L229-Q268 WeakPolarHBondContact CA-O 3.45Å; L229-Q268 HydrophobicContact CD1-CB 4.03Å; L229-Q268 HydrophobicContact CD1-CG 4.09Å; L229-I270 HydrophobicContact CD1-CB 4.44Å; L229-I270 HydrophobicContact CD1-CD1 3.71Å; L229-I270 HydrophobicContact CD1-CG1 3.8Å
230	V	97.1	Very high	81.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.2	162.3	-176.7	0	0	0	0	108.1	L155 V157 L227 I232 L260 Q268 L269 I270	L155-V230 HydrophobicContact CB-CB 4.47Å; L155-V230 HydrophobicContact CB-CG1 4.2Å; L155-V230 HydrophobicContact CB-CG2 3.98Å; L155-V230 HydrophobicContact CD2-CG1 4.09Å; L155-V230 HydrophobicContact CD2-CG2 4.23Å; L155-V230 HydrophobicContact CG-CG1 4.07Å; L155-V230 CarbonylContact O-C 3.4Å; L155-V230 VanDerWaalsContact O-CA 3.26Å; L155-V230 WeakPolarHBondContact O-CA 2.82Å; V157-V230 HydrophobicContact CG2-CG1 4.08Å; L227-V230 HydrophobicContact CD2-CG2 3.56Å; L227-V230 HydrophobicContact CG-CG2 4.18Å; V230-I232 HydrophobicContact CG1-CD1 4.47Å; V230-I232 HydrophobicContact CG1-CG1 4Å; V230-L260 HydrophobicContact CB-CD1 4.17Å; V230-L260 HydrophobicContact CG1-CD1 4.13Å; V230-L260 HydrophobicContact CG2-CD1 3.62Å; V230-L260 HydrophobicContact CG2-CD2 4.19Å; V230-Q268 PolarHBondContact N-O 3.41Å; V230-L269 HydrophobicContact CB-CD2 4.08Å; V230-I270 PolarHBondContact O-N 3.04Å
231	V	95.2	Very high	78.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129	171.3	-174.7	0	0	0	0	108.1	I143 L155 F156 V157 L229 I270 M272	I143-V231 HydrophobicContact CG1-CG2 4.32Å; L155-V231 PolarHBondContact O-N 3.17Å; F156-V231 WeakPolarHBondContact CA-O 3.12Å; F156-V231 HydrophobicContact CD2-CB 3.95Å; F156-V231 HydrophobicContact CD2-CG1 4.1Å; F156-V231 HydrophobicContact CE2-CB 4.44Å; F156-V231 HydrophobicContact CE2-CG1 4.08Å; V157-V231 PolarHBondContact N-O 2.87Å; L229-V231 HydrophobicContact CD1-CG2 4.08Å; L229-V231 HydrophobicContact CD2-CG2 3.79Å; L229-V231 HydrophobicContact CG-CG2 3.83Å; V231-I270 CarbonylContact C-O 3.57Å; V231-I270 WeakPolarHBondContact CA-O 3.4Å; V231-M272 HydrophobicContact CG1-CE 3.87Å; V231-M272 HydrophobicContact CG1-CG 4.49Å; V231-M272 HydrophobicContact CG1-SD 4.25Å
232	I	92.6	Very high	76.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.5	178.8	-51.9	180	0	0	0	107.2	V157 V230 I235 L253 I257 I270 M272	V157-I232 HydrophobicContact CB-CG1 4.31Å; V157-I232 HydrophobicContact CB-CG2 4.37Å; V157-I232 HydrophobicContact CG2-CG1 4.31Å; V230-I232 HydrophobicContact CG1-CD1 4.47Å; V230-I232 HydrophobicContact CG1-CG1 4Å; I232-I235 HydrophobicContact CB-CD1 4.43Å; I232-I235 HydrophobicContact CD1-CD1 4.45Å; I232-I235 HydrophobicContact CG2-CB 4.28Å; I232-I235 HydrophobicContact CG2-CD1 4.34Å; I232-I235 HydrophobicContact CG2-CG1 4.13Å; I232-L253 HydrophobicContact CD1-CD1 3.82Å; I232-L253 HydrophobicContact CG2-CD1 3.85Å; I232-I257 HydrophobicContact CD1-CD1 4.24Å; I232-I257 HydrophobicContact CD1-CG1 4.01Å; I232-I270 PolarHBondContact N-O 2.88Å; I232-M272 PolarHBondContact O-N 2.92Å
233	D	88.8	Confident	73.7	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.091	24%	0.241	C	C	.	.	S	Bend	trans	-83	148.6	173.8	-146.9	-14.3	0	0	0	111.3	F156 V157 L158 I235 M272	F156-D233 HydrophobicContact CE2-CB 4.22Å; V157-D233 PolarHBondContact O-N 3.27Å; L158-D233 HydrophobicContact CD2-CB 3.73Å; D233-I235 PolarHBondContact O-N 3.15Å; D233-M272 HydrophobicContact CB-CE 3.91Å; D233-M272 VanDerWaalsContact CG-CE 3.41Å; D233-M272 WeakPolarHBondContact OD1-CE 3.21Å
234	E	80.5	Confident	71.4	Confident	45 Å²	45	50 Å²	50	21%	0.21	27%	0.268	C	S	.	.			trans	41	60.7	-174.6	-57.2	-58.3	168.2	0	0	114.3	K135 P159 I236 M272 A274	K135-E234 VanDerWaalsContact NZ-CD 3.3Å; K135-E234 IonicContact NZ-OE1 2.65Å; K135-E234 PolarHBondContact NZ-OE1 3.19Å; K135-E234 IonicContact NZ-OE2 3.29Å; K135-E234 PolarHBondContact NZ-OE2 3Å; P159-E234 HydrophobicContact CG-CB 4.36Å; E234-I236 HydrophobicContact CB-CD1 4.49Å; E234-I236 PolarHBondContact O-N 2.79Å; E234-I236 VanDerWaalsContact OE2-CD1 3.31Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.34Å; E234-M272 WeakPolarHBondContact CA-O 3.48Å; E234-M272 PolarHBondContact N-O 3.32Å; E234-A274 PolarHBondContact OE2-N 2.84Å; E234-A274 VanDerWaalsContact OE2-N 3.08Å
235	I	71.1	Confident	69.1	Low	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.3	10.4	176.5	-155.4	166.4	0	0	0	114.5	I232 D233 H237 S238 L253 I257 M272 L282 M286	I232-I235 HydrophobicContact CB-CD1 4.43Å; I232-I235 HydrophobicContact CD1-CD1 4.45Å; I232-I235 HydrophobicContact CG2-CB 4.28Å; I232-I235 HydrophobicContact CG2-CD1 4.34Å; I232-I235 HydrophobicContact CG2-CG1 4.13Å; D233-I235 PolarHBondContact O-N 3.15Å; I235-H237 PolarHBondContact O-N 3.16Å; I235-S238 PolarHBondContact O-N 3.32Å; I235-S238 VanDerWaalsContact O-N 3.09Å; I235-L253 HydrophobicContact CG1-CD2 4Å; I235-I257 HydrophobicContact CD1-CD1 4.31Å; I235-M272 WeakPolarHBondContact CG2-O 3.43Å; I235-M272 PolarHBondContact N-O 3Å; I235-L282 HydrophobicContact CD1-CD1 4.49Å; I235-L282 HydrophobicContact CD1-CD2 4.18Å; I235-L282 HydrophobicContact CG1-CD2 4.39Å; I235-L282 HydrophobicContact CG2-CD2 3.92Å; I235-M286 HydrophobicContact CD1-CE 4.4Å; I235-M286 HydrophobicContact CD1-SD 3.81Å
236	I	58.9	Low	67.1	Low	57 Å²	57	56.3 Å²	56.3	29%	0.292	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-51.1	-26.7	-176.8	-66	177.2	0	0	0	113.1	E234 S238 S273 A274 L276	E234-I236 HydrophobicContact CB-CD1 4.49Å; E234-I236 PolarHBondContact O-N 2.79Å; E234-I236 VanDerWaalsContact OE2-CD1 3.31Å; E234-I236 WeakPolarHBondContact OE2-CD1 3.34Å; I236-S238 PolarHBondContact O-N 2.97Å; I236-S273 WeakPolarHBondContact CG1-OG 3Å; I236-A274 HydrophobicContact CD1-CB 3.74Å; I236-L276 HydrophobicContact CB-CD2 4.36Å; I236-L276 HydrophobicContact CG1-CD2 4.17Å; I236-L276 HydrophobicContact CG2-CD2 4.13Å
237	H	52.7	Low	65.4	Low	73 Å²	73	57.8 Å²	57.8	34%	0.338	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-83.5	4.3	-178.7	-70.2	-67.6	0	0	0	116	I235 Q239 G250	I235-H237 PolarHBondContact O-N 3.16Å; H237-Q239 PolarHBondContact O-N 3.35Å; H237-G250 WeakPolarHBondContact O-CA 3.2Å
238	S	47.6	Very low	64	Low	20 Å²	20	60.2 Å²	60.2	14%	0.14	34%	0.344	C	S	.	.			trans	-74	19.8	169.8	-163.9	0	0	0	0	113.8	I235 I236 L240 L282	I235-S238 PolarHBondContact O-N 3.32Å; I235-S238 VanDerWaalsContact O-N 3.09Å; I236-S238 PolarHBondContact O-N 2.97Å; S238-L240 PolarHBondContact O-N 3.27Å; S238-L240 VanDerWaalsContact O-N 3.08Å; S238-L282 WeakPolarHBondContact OG-CD1 3.3Å
239	Q	45.5	Very low	62.8	Low	85 Å²	85	63.6 Å²	63.6	40%	0.397	36%	0.356	S	S	.	.			trans	-76.7	89.8	168.6	-75.4	-169.7	-30.7	0	0	110.1	H237 H241 L242	H237-Q239 PolarHBondContact O-N 3.35Å; Q239-H241 PolarHBondContact O-N 3.27Å; Q239-L242 VanDerWaalsContact OE1-CD1 3.23Å
240	L	40.9	Very low	61.8	Low	104 Å²	104	63.8 Å²	63.8	55%	0.545	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.6	-8.4	177.3	-88.7	152.7	0	0	0	118.9	S238 E254	S238-L240 PolarHBondContact O-N 3.27Å; S238-L240 VanDerWaalsContact O-N 3.08Å; L240-E254 WeakPolarHBondContact CD2-OE1 3.21Å; L240-E254 WeakPolarHBondContact CG-OE1 3.32Å
241	H	40.7	Very low	61.1	Low	163 Å²	163	66 Å²	66	76%	0.755	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	5.9	-166.7	-76.5	-67.7	0	0	0	118.1	Q239 I243	Q239-H241 PolarHBondContact O-N 3.27Å; H241-I243 PolarHBondContact O-N 3.06Å
242	L	40.5	Very low	60.6	Low	120 Å²	120	66.3 Å²	66.3	63%	0.628	38%	0.377	S	S	*	.			trans	-87.5	95.2	-179.2	-98.1	153.9	0	0	0	113.3	Q239 G244	Q239-L242 VanDerWaalsContact OE1-CD1 3.23Å; L242-G244 PolarHBondContact O-N 3.38Å
243	I	38	Very low	60.4	Low	164 Å²	164	66.3 Å²	66.3	84%	0.841	38%	0.377	S	S	*	.			trans	-62.1	12.1	-176.5	-66.7	152.8	0	0	0	114.9	H241	H241-I243 PolarHBondContact O-N 3.06Å
244	G	43.5	Very low	60.2	Low	62 Å²	62	67.4 Å²	67.4	64%	0.639	38%	0.381	S	S	*	.	S	Bend	trans	-79.5	-93.1	-178.2	0	0	0	0	0	113.7	L242	L242-G244 PolarHBondContact O-N 3.38Å
245	E	47.1	Very low	60.6	Low	204 Å²	204	70.2 Å²	70.2	95%	0.953	39%	0.394	S	S	*	.	S	Bend	trans	-132.2	-9.1	-169.4	-69.3	170.3	152.7	0	0	113.4
246	G	49.8	Very low	61.6	Low	26 Å²	26	70.1 Å²	70.1	27%	0.268	39%	0.394	S	S	.	.			trans	-96.8	-4.6	-172.8	0	0	0	0	0	116.1	G248 R249 G250	G246-G248 VanDerWaalsContact C-N 3.3Å; G246-G248 PolarHBondContact O-N 3.14Å; G246-G248 VanDerWaalsContact O-N 3.17Å; G246-R249 PolarHBondContact O-N 3.15Å; G246-G250 PolarHBondContact O-N 3.37Å; G246-G250 VanDerWaalsContact O-N 3.15Å
247	A	56.7	Low	63.1	Low	66 Å²	66	67.4 Å²	67.4	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-56.7	-37.3	-167	0	0	0	0	0	114.2	R249 S251	A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 3.29Å; A247-S251 WeakPolarHBondContact O-CB 3.47Å; A247-S251 PolarHBondContact O-N 3.17Å; A247-S251 PolarHBondContact O-OG 2.91Å
248	G	66.6	Low	64.9	Low	52 Å²	52	67.6 Å²	67.6	54%	0.536	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-31.4	176.1	0	0	0	0	0	113.8	G246 S251 A252	G246-G248 VanDerWaalsContact C-N 3.3Å; G246-G248 PolarHBondContact O-N 3.14Å; G246-G248 VanDerWaalsContact O-N 3.17Å; G248-S251 PolarHBondContact O-OG 2.93Å; G248-A252 WeakPolarHBondContact O-CB 3.43Å; G248-A252 PolarHBondContact O-N 3.07Å; G248-A252 VanDerWaalsContact O-N 3.15Å
249	R	69.2	Low	67	Low	71 Å²	71	69.9 Å²	69.9	27%	0.268	39%	0.394	S	S	.	.	H	α-helix	trans	-81.5	-41.2	178.9	-73.8	-179.2	165.1	-165	-8.7	112.5	P159 I208 E209 G246 A247 A252 L253	P159-R249 PolarHBondContact O-NH1 3.26Å; P159-R249 VanDerWaalsContact O-NH1 3.09Å; P159-R249 PolarHBondContact O-NH2 3.13Å; I208-R249 HydrophobicContact CD1-CB 4.44Å; E209-R249 IonicContact OE1-CZ 3.52Å; E209-R249 IonicContact OE1-NE 2.93Å; E209-R249 PolarHBondContact OE1-NE 2.72Å; E209-R249 IonicContact OE1-NH2 3.23Å; E209-R249 PolarHBondContact OE1-NH2 3.23Å; G246-R249 PolarHBondContact O-N 3.15Å; A247-R249 VanDerWaalsContact C-N 3.31Å; A247-R249 PolarHBondContact O-N 3.29Å; R249-A252 PolarHBondContact O-N 3.25Å; R249-L253 WeakPolarHBondContact O-CB 3.14Å; R249-L253 PolarHBondContact O-N 3.1Å
250	G	75.6	Confident	69.3	Low	6 Å²	6	65.8 Å²	65.8	6%	0.062	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-51.3	173.3	0	0	0	0	0	111.3	H237 G246 A252 L253 E254	H237-G250 WeakPolarHBondContact O-CA 3.2Å; G246-G250 PolarHBondContact O-N 3.37Å; G246-G250 VanDerWaalsContact O-N 3.15Å; G250-A252 PolarHBondContact O-N 2.8Å; G250-L253 WeakPolarHBondContact O-CB 3.42Å; G250-L253 PolarHBondContact O-N 3.11Å; G250-E254 WeakPolarHBondContact O-CG 3.42Å; G250-E254 PolarHBondContact O-N 2.9Å
251	S	81.4	Confident	71.7	Confident	47 Å²	47	63 Å²	63	33%	0.329	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-37.3	178.6	57.5	0	0	0	0	114.1	A247 G248 L253 Q255	A247-S251 WeakPolarHBondContact O-CB 3.47Å; A247-S251 PolarHBondContact O-N 3.17Å; A247-S251 PolarHBondContact O-OG 2.91Å; G248-S251 PolarHBondContact O-OG 2.93Å; S251-L253 VanDerWaalsContact C-N 3.35Å; S251-Q255 WeakPolarHBondContact O-CB 3.48Å; S251-Q255 VanDerWaalsContact O-CG 3.22Å; S251-Q255 WeakPolarHBondContact O-CG 3.21Å; S251-Q255 PolarHBondContact O-N 3.1Å; S251-Q255 PolarHBondContact O-NE2 3.24Å
252	A	85.6	Confident	74.2	Confident	7 Å²	7	63.5 Å²	63.5	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-38.6	173.5	0	0	0	0	0	112.3	I208 G248 R249 G250 L256	I208-A252 HydrophobicContact CG2-CB 3.97Å; G248-A252 WeakPolarHBondContact O-CB 3.43Å; G248-A252 PolarHBondContact O-N 3.07Å; G248-A252 VanDerWaalsContact O-N 3.15Å; R249-A252 PolarHBondContact O-N 3.25Å; G250-A252 PolarHBondContact O-N 2.8Å; A252-L256 WeakPolarHBondContact O-CB 3.26Å; A252-L256 PolarHBondContact O-N 3.21Å
253	L	86.8	Confident	76.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-68	-46.1	177	177.5	63.9	0	0	0	112	I208 I232 I235 R249 G250 S251 L256 I257	I208-L253 HydrophobicContact CG2-CB 3.92Å; I232-L253 HydrophobicContact CD1-CD1 3.82Å; I232-L253 HydrophobicContact CG2-CD1 3.85Å; I235-L253 HydrophobicContact CG1-CD2 4Å; R249-L253 WeakPolarHBondContact O-CB 3.14Å; R249-L253 PolarHBondContact O-N 3.1Å; G250-L253 WeakPolarHBondContact O-CB 3.42Å; G250-L253 PolarHBondContact O-N 3.11Å; S251-L253 VanDerWaalsContact C-N 3.35Å; L253-L256 WeakPolarHBondContact O-CB 3.44Å; L253-L256 PolarHBondContact O-N 3.28Å; L253-I257 HydrophobicContact CD1-CD1 4.04Å; L253-I257 HydrophobicContact CD1-CG1 4.45Å; L253-I257 HydrophobicContact CG-CD1 4.03Å; L253-I257 WeakPolarHBondContact O-CG1 3.17Å; L253-I257 PolarHBondContact O-N 2.91Å
254	E	86	Confident	79.2	Confident	41 Å²	41	51.3 Å²	51.3	19%	0.192	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-47.1	174.5	-73.8	165.5	-156.9	0	0	111.4	L240 G250 L256 I257 V258 F285	L240-E254 WeakPolarHBondContact CD2-OE1 3.21Å; L240-E254 WeakPolarHBondContact CG-OE1 3.32Å; G250-E254 WeakPolarHBondContact O-CG 3.42Å; G250-E254 PolarHBondContact O-N 2.9Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.81Å; E254-I257 PolarHBondContact O-N 2.94Å; E254-V258 WeakPolarHBondContact O-CB 3.31Å; E254-V258 WeakPolarHBondContact O-CG2 3.36Å; E254-V258 PolarHBondContact O-N 2.92Å; E254-F285 HydrophobicContact CB-CZ 4.27Å; E254-F285 HydrophobicContact CG-CE1 4.48Å; E254-F285 HydrophobicContact CG-CZ 4.23Å
255	Q	88.1	Confident	81.3	Confident	103 Å²	103	53.6 Å²	53.6	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-38.3	175.9	-75.9	174.4	64.3	0	0	112.6	S251 K259	S251-Q255 WeakPolarHBondContact O-CB 3.48Å; S251-Q255 VanDerWaalsContact O-CG 3.22Å; S251-Q255 WeakPolarHBondContact O-CG 3.21Å; S251-Q255 PolarHBondContact O-N 3.1Å; S251-Q255 PolarHBondContact O-NE2 3.24Å; Q255-K259 WeakPolarHBondContact O-CB 3.44Å; Q255-K259 PolarHBondContact O-N 2.84Å; Q255-K259 VanDerWaalsContact O-N 3.1Å
256	L	91.9	Very high	83.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-48.4	174.4	176	63.5	0	0	0	111.3	V157 A211 A215 A252 L253 E254 K259 L260	V157-L256 HydrophobicContact CG2-CD2 4.18Å; A211-L256 HydrophobicContact CB-CD2 3.82Å; A215-L256 HydrophobicContact CB-CD1 3.58Å; A252-L256 WeakPolarHBondContact O-CB 3.26Å; A252-L256 PolarHBondContact O-N 3.21Å; L253-L256 WeakPolarHBondContact O-CB 3.44Å; L253-L256 PolarHBondContact O-N 3.28Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.81Å; L256-K259 PolarHBondContact O-N 3.29Å; L256-L260 HydrophobicContact CD1-CD1 3.67Å; L256-L260 HydrophobicContact CD1-CG 4.15Å; L256-L260 HydrophobicContact CG-CD1 3.86Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.4Å; L256-L260 PolarHBondContact O-N 3.15Å
257	I	91.6	Very high	85.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-52.5	-179.2	-69.9	167.3	0	0	0	110.8	I232 I235 L253 E254 K259 L260 M261 F285 M286	I232-I257 HydrophobicContact CD1-CD1 4.24Å; I232-I257 HydrophobicContact CD1-CG1 4.01Å; I235-I257 HydrophobicContact CD1-CD1 4.31Å; L253-I257 HydrophobicContact CD1-CD1 4.04Å; L253-I257 HydrophobicContact CD1-CG1 4.45Å; L253-I257 HydrophobicContact CG-CD1 4.03Å; L253-I257 WeakPolarHBondContact O-CG1 3.17Å; L253-I257 PolarHBondContact O-N 2.91Å; E254-I257 PolarHBondContact O-N 2.94Å; I257-K259 VanDerWaalsContact C-N 3.29Å; I257-K259 PolarHBondContact O-N 3.08Å; I257-L260 PolarHBondContact O-N 3.06Å; I257-M261 HydrophobicContact CG2-CG 4.35Å; I257-M261 HydrophobicContact CG2-SD 3.74Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 2.83Å; I257-F285 HydrophobicContact CB-CE1 4.09Å; I257-F285 HydrophobicContact CD1-CE1 4.25Å; I257-F285 HydrophobicContact CG2-CD1 4.22Å; I257-F285 HydrophobicContact CG2-CE1 3.66Å; I257-F285 HydrophobicContact CG2-CZ 4.33Å; I257-M286 HydrophobicContact CD1-SD 4.34Å; I257-M286 HydrophobicContact CG2-CG 4.09Å
258	V	90.7	Very high	87.3	Confident	77 Å²	77	43.4 Å²	43.4	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-43.5	179.5	172.1	0	0	0	0	110.9	E254 M261 F262 F285	E254-V258 WeakPolarHBondContact O-CB 3.31Å; E254-V258 WeakPolarHBondContact O-CG2 3.36Å; E254-V258 PolarHBondContact O-N 2.92Å; V258-M261 PolarHBondContact O-N 3.09Å; V258-F262 WeakPolarHBondContact O-CB 3.48Å; V258-F262 PolarHBondContact O-N 2.98Å; V258-F285 HydrophobicContact CG2-CE2 3.84Å; V258-F285 HydrophobicContact CG2-CZ 3.65Å
259	K	91.5	Very high	88.6	Confident	67 Å²	67	41 Å²	41	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-42.8	178	-175	164.8	-62.5	-167.9	0	112.3	N216 Q255 L256 I257 F262 C263	N216-K259 PolarHBondContact OD1-NZ 2.65Å; Q255-K259 WeakPolarHBondContact O-CB 3.44Å; Q255-K259 PolarHBondContact O-N 2.84Å; Q255-K259 VanDerWaalsContact O-N 3.1Å; L256-K259 PolarHBondContact O-N 3.29Å; I257-K259 VanDerWaalsContact C-N 3.29Å; I257-K259 PolarHBondContact O-N 3.08Å; K259-F262 PolarHBondContact O-N 2.89Å; K259-C263 HydrophobicContact CG-CB 4.49Å; K259-C263 WeakPolarHBondContact O-CA 3.42Å; K259-C263 WeakPolarHBondContact O-CB 3.33Å; K259-C263 PolarHBondContact O-N 3.04Å; K259-C263 PolarHBondContact O-SG 2.87Å
260	L	93.6	Very high	89.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-44.8	177.7	-71.8	166.8	0	0	0	111.5	I224 L227 V230 L256 I257 F262 S264 L269	I224-L260 HydrophobicContact CD1-CD2 4.07Å; L227-L260 HydrophobicContact CD2-CD2 3.81Å; V230-L260 HydrophobicContact CB-CD1 4.17Å; V230-L260 HydrophobicContact CG1-CD1 4.13Å; V230-L260 HydrophobicContact CG2-CD1 3.62Å; V230-L260 HydrophobicContact CG2-CD2 4.19Å; L256-L260 HydrophobicContact CD1-CD1 3.67Å; L256-L260 HydrophobicContact CD1-CG 4.15Å; L256-L260 HydrophobicContact CG-CD1 3.86Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.4Å; L256-L260 PolarHBondContact O-N 3.15Å; I257-L260 PolarHBondContact O-N 3.06Å; L260-F262 VanDerWaalsContact C-N 3.29Å; L260-F262 PolarHBondContact O-N 2.89Å; L260-S264 CarbonylContact O-C 3.55Å; L260-S264 WeakPolarHBondContact O-CA 3.35Å; L260-S264 PolarHBondContact O-N 3.44Å; L260-L269 HydrophobicContact CB-CD1 4.38Å; L260-L269 HydrophobicContact CB-CD2 4.03Å; L260-L269 HydrophobicContact CD1-CD2 3.72Å
261	M	91.5	Very high	90.4	Very high	44 Å²	44	37.3 Å²	37.3	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-35.3	177.8	-69.6	178.5	70.6	0	0	113.4	I257 V258 L269 F285 M286 K287	I257-M261 HydrophobicContact CG2-CG 4.35Å; I257-M261 HydrophobicContact CG2-SD 3.74Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 2.83Å; V258-M261 PolarHBondContact O-N 3.09Å; M261-L269 HydrophobicContact CG-CD1 3.36Å; M261-L269 HydrophobicContact SD-CD1 4.36Å; M261-F285 WeakPolarHBondContact CE-O 3.32Å; M261-M286 WeakPolarHBondContact CE-O 3.42Å; M261-K287 HydrophobicContact CE-CB 4.09Å; M261-K287 HydrophobicContact CE-CD 4.03Å; M261-K287 HydrophobicContact CE-CG 3.9Å
262	F	91.8	Very high	90.7	Very high	175 Å²	175	35.1 Å²	35.1	77%	0.768	19%	0.193	S	C	*	.	H	α-helix	trans	-88.8	-44.6	-179	-169	-96.3	0	0	0	113.2	V258 K259 L260	V258-F262 WeakPolarHBondContact O-CB 3.48Å; V258-F262 PolarHBondContact O-N 2.98Å; K259-F262 PolarHBondContact O-N 2.89Å; L260-F262 VanDerWaalsContact C-N 3.29Å; L260-F262 PolarHBondContact O-N 2.89Å
263	C	92.4	Very high	90.4	Very high	28 Å²	28	34.8 Å²	34.8	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-89.7	-18	-173	-58.8	0	0	0	0	114.2	Y219 I224 K259	Y219-C263 HydrophobicContact CD2-CB 3.71Å; Y219-C263 HydrophobicContact CE2-CB 3.86Å; Y219-C263 VanDerWaalsContact CE2-SG 3.58Å; I224-C263 WeakPolarHBondContact CG2-O 3.38Å; K259-C263 HydrophobicContact CG-CB 4.49Å; K259-C263 WeakPolarHBondContact O-CA 3.42Å; K259-C263 WeakPolarHBondContact O-CB 3.33Å; K259-C263 PolarHBondContact O-N 3.04Å; K259-C263 PolarHBondContact O-SG 2.87Å
264	S	91.9	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.			trans	-146.6	73.9	170.7	-158.6	0	0	0	0	111.2	D225 L260 A266 C267	D225-S264 PolarHBondContact OD1-OG 3.15Å; L260-S264 CarbonylContact O-C 3.55Å; L260-S264 WeakPolarHBondContact O-CA 3.35Å; L260-S264 PolarHBondContact O-N 3.44Å; S264-A266 PolarHBondContact O-N 3.17Å; S264-C267 VanDerWaalsContact O-CB 3.28Å; S264-C267 WeakPolarHBondContact O-CB 3.4Å; S264-C267 PolarHBondContact O-N 2.75Å
265	P	88.6	Confident	88.8	Confident	109 Å²	109	38.8 Å²	38.8	71%	0.708	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.9	-178.3	27.2	-36.3	0	0	0	114	C267	P265-C267 VanDerWaalsContact C-N 3.35Å
266	A	88.7	Confident	87.8	Confident	74 Å²	74	35.6 Å²	35.6	61%	0.612	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	3.4	172.4	0	0	0	0	0	113.6	S264	S264-A266 PolarHBondContact O-N 3.17Å
267	C	93.9	Very high	86.5	Confident	4 Å²	4	41 Å²	41	3%	0.027	24%	0.244	C	C	.	.	S	Bend	trans	-93.9	120.3	172.6	-175.3	0	0	0	0	109.9	G228 S264 P265	G228-C267 VanDerWaalsContact C-SG 3.54Å; S264-C267 VanDerWaalsContact O-CB 3.28Å; S264-C267 WeakPolarHBondContact O-CB 3.4Å; S264-C267 PolarHBondContact O-N 2.75Å; P265-C267 VanDerWaalsContact C-N 3.35Å
268	Q	95.2	Very high	85.5	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.8	178.7	-175	166.7	21.6	0	0	110.7	A118 G122 Q123 G228 L229 V230 I270	A118-Q268 PolarHBondContact O-NE2 3.05Å; A118-Q268 VanDerWaalsContact O-NE2 3.14Å; G122-Q268 WeakPolarHBondContact O-CB 3.46Å; G122-Q268 WeakPolarHBondContact O-CG 3.27Å; Q123-Q268 WeakPolarHBondContact O-CG 3.39Å; Q123-Q268 PolarHBondContact O-NE2 3.27Å; G228-Q268 PolarHBondContact O-N 3.01Å; L229-Q268 CarbonylContact C-O 3.52Å; L229-Q268 WeakPolarHBondContact CA-O 3.45Å; L229-Q268 HydrophobicContact CD1-CB 4.03Å; L229-Q268 HydrophobicContact CD1-CG 4.09Å; V230-Q268 PolarHBondContact N-O 3.41Å; Q268-I270 HydrophobicContact CG-CD1 4.34Å; Q268-I270 HydrophobicContact CG-CG1 4.06Å
269	L	94.4	Very high	84.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.4	174.2	-69	152	0	0	0	110.3	N124 L125 V230 L260 M261 M286	N124-L269 CarbonylContact C-O 3.41Å; N124-L269 WeakPolarHBondContact CA-O 3.36Å; N124-L269 HydrophobicContact CB-CB 4.27Å; N124-L269 WeakPolarHBondContact OD1-CB 3.36Å; N124-L269 PolarHBondContact OD1-N 2.82Å; L125-L269 PolarHBondContact N-O 2.93Å; V230-L269 HydrophobicContact CB-CD2 4.08Å; L260-L269 HydrophobicContact CB-CD1 4.38Å; L260-L269 HydrophobicContact CB-CD2 4.03Å; L260-L269 HydrophobicContact CD1-CD2 3.72Å; M261-L269 HydrophobicContact CG-CD1 3.36Å; M261-L269 HydrophobicContact SD-CD1 4.36Å; L269-M286 HydrophobicContact CB-CE 3.79Å
270	I	92.8	Very high	84.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.5	175.4	-57.8	-174.2	0	0	0	109.4	L125 I127 L142 L229 V230 V231 I232 Q268 M272	L125-I270 HydrophobicContact CB-CG1 4.44Å; L125-I270 CarbonylContact O-C 3.57Å; L125-I270 VanDerWaalsContact O-CA 3.28Å; L125-I270 WeakPolarHBondContact O-CA 3.46Å; I127-I270 HydrophobicContact CD1-CG2 3.7Å; I127-I270 HydrophobicContact CG1-CG2 4.44Å; L142-I270 HydrophobicContact CD1-CD1 3.82Å; L142-I270 HydrophobicContact CD1-CG2 4.44Å; L142-I270 HydrophobicContact CD2-CD1 4.07Å; L142-I270 HydrophobicContact CG-CD1 4.44Å; L229-I270 HydrophobicContact CD1-CB 4.44Å; L229-I270 HydrophobicContact CD1-CD1 3.71Å; L229-I270 HydrophobicContact CD1-CG1 3.8Å; V230-I270 PolarHBondContact O-N 3.04Å; V231-I270 CarbonylContact C-O 3.57Å; V231-I270 WeakPolarHBondContact CA-O 3.4Å; I232-I270 PolarHBondContact N-O 2.88Å; Q268-I270 HydrophobicContact CG-CD1 4.34Å; Q268-I270 HydrophobicContact CG-CG1 4.06Å; I270-M272 HydrophobicContact CG2-CG 4.39Å
271	G	90.5	Very high	83.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.5	173.6	0	0	0	0	0	110.8	L125 I126 I127	L125-G271 PolarHBondContact O-N 2.94Å; I126-G271 CarbonylContact C-O 3.43Å; I126-G271 VanDerWaalsContact CA-O 3.32Å; I126-G271 WeakPolarHBondContact CA-O 3.42Å; I127-G271 PolarHBondContact N-O 2.82Å
272	M	87.1	Confident	83.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.1	174.3	-56.1	-171.1	-54.4	0	0	109.6	I127 K135 V231 I232 D233 E234 I235 I270	I127-M272 HydrophobicContact CB-CG 4.39Å; I127-M272 HydrophobicContact CD1-CG 4.29Å; I127-M272 WeakPolarHBondContact O-CA 3.26Å; K135-M272 HydrophobicContact CB-CE 4.45Å; K135-M272 HydrophobicContact CB-SD 4.22Å; K135-M272 HydrophobicContact CD-CB 4.42Å; V231-M272 HydrophobicContact CG1-CE 3.87Å; V231-M272 HydrophobicContact CG1-CG 4.49Å; V231-M272 HydrophobicContact CG1-SD 4.25Å; I232-M272 PolarHBondContact O-N 2.92Å; D233-M272 HydrophobicContact CB-CE 3.91Å; D233-M272 VanDerWaalsContact CG-CE 3.41Å; D233-M272 WeakPolarHBondContact OD1-CE 3.21Å; E234-M272 WeakPolarHBondContact CA-O 3.48Å; E234-M272 PolarHBondContact N-O 3.32Å; I235-M272 WeakPolarHBondContact CG2-O 3.43Å; I235-M272 PolarHBondContact N-O 3Å; I270-M272 HydrophobicContact CG2-CG 4.39Å
273	S	80.2	Confident	83.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.5	-176.3	-159.8	0	0	0	0	112	I127 L129 K135 I236 L276	I127-S273 PolarHBondContact O-N 3.08Å; L129-S273 PolarHBondContact N-O 3.29Å; K135-S273 PolarHBondContact NZ-O 2.98Å; K135-S273 VanDerWaalsContact NZ-O 3.15Å; I236-S273 WeakPolarHBondContact CG1-OG 3Å; S273-L276 WeakPolarHBondContact OG-CD1 3.31Å; S273-L276 VanDerWaalsContact OG-CG 3.31Å; S273-L276 WeakPolarHBondContact OG-CG 3.21Å
274	A	74.5	Confident	82.9	Confident	19 Å²	19	47.3 Å²	47.3	16%	0.157	28%	0.28	C	S	.	.	S	Bend	trans	-64	169.7	149.1	0	0	0	0	0	111	L129 T131 E234 I236 L276	L129-A274 WeakPolarHBondContact O-CA 3.42Å; T131-A274 HydrophobicContact CG2-CB 4.4Å; E234-A274 PolarHBondContact OE2-N 2.84Å; E234-A274 VanDerWaalsContact OE2-N 3.08Å; I236-A274 HydrophobicContact CD1-CB 3.74Å; A274-L276 PolarHBondContact O-N 2.95Å
275	T	65	Low	82.6	Confident	108 Å²	108	50.5 Å²	50.5	66%	0.663	29%	0.294	S	S	*	.			trans	-58.5	102.9	178	47.5	0	0	0	0	112
276	L	65.5	Low	82.6	Confident	36 Å²	36	45.3 Å²	45.3	19%	0.188	26%	0.261	C	S	.	.			trans	-94.5	148	174.3	-69.3	174.3	0	0	0	111.6	I236 S273 A274 N278 L279	I236-L276 HydrophobicContact CB-CD2 4.36Å; I236-L276 HydrophobicContact CG1-CD2 4.17Å; I236-L276 HydrophobicContact CG2-CD2 4.13Å; S273-L276 WeakPolarHBondContact OG-CD1 3.31Å; S273-L276 VanDerWaalsContact OG-CG 3.31Å; S273-L276 WeakPolarHBondContact OG-CG 3.21Å; A274-L276 PolarHBondContact O-N 2.95Å; L276-N278 VanDerWaalsContact C-N 3.29Å; L276-L279 HydrophobicContact CB-CD2 3.93Å; L276-L279 HydrophobicContact CB-CG 4.01Å; L276-L279 HydrophobicContact CD1-CD2 4.21Å
277	S	64.9	Low	82.6	Confident	115 Å²	115	50 Å²	50	80%	0.804	27%	0.267	S	S	*	.	S	Bend	trans	-74.6	-15.7	170.6	51.7	0	0	0	0	114
278	N	71.4	Confident	82.4	Confident	66 Å²	66	50.2 Å²	50.2	35%	0.353	27%	0.269	S	S	.	.			trans	-127.2	56.9	-172.2	-169.7	11	0	0	0	112.9	L276 H281	L276-N278 VanDerWaalsContact C-N 3.29Å; N278-H281 VanDerWaalsContact OD1-CB 3.26Å; N278-H281 WeakPolarHBondContact OD1-CB 3.45Å; N278-H281 PolarHBondContact OD1-CD2 3.26Å; N278-H281 PolarHBondContact OD1-N 3.06Å
279	L	77.9	Confident	82.1	Confident	18 Å²	18	53 Å²	53	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-78.3	-27.6	177.7	-65.9	161.9	0	0	0	112	I126 S128 L276 L282 K283 L290 T292	I126-L279 HydrophobicContact CG2-CD2 4.03Å; S128-L279 VanDerWaalsContact OG-CD1 3.32Å; S128-L279 WeakPolarHBondContact OG-CD1 3.26Å; L276-L279 HydrophobicContact CB-CD2 3.93Å; L276-L279 HydrophobicContact CB-CG 4.01Å; L276-L279 HydrophobicContact CD1-CD2 4.21Å; L279-L282 PolarHBondContact O-N 2.81Å; L279-K283 VanDerWaalsContact O-CB 3.27Å; L279-K283 WeakPolarHBondContact O-CB 3.32Å; L279-K283 PolarHBondContact O-N 3.22Å; L279-L290 HydrophobicContact CB-CD1 4.03Å; L279-L290 HydrophobicContact CB-CD2 3.75Å; L279-L290 HydrophobicContact CD1-CD1 4.26Å; L279-L290 HydrophobicContact CD1-CD2 4.42Å; L279-L290 HydrophobicContact CD2-CD1 4.22Å; L279-L290 HydrophobicContact CG-CD1 4.39Å; L279-T292 HydrophobicContact CD1-CG2 4.21Å
280	D	80.6	Confident	81.8	Confident	108 Å²	108	55.3 Å²	55.3	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-71.8	-41.4	-175.3	-63.5	-55.5	0	0	0	113.1	L282 K283 V284	D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.88Å; D280-K283 WeakPolarHBondContact O-CB 3.42Å; D280-K283 PolarHBondContact O-N 2.94Å; D280-V284 WeakPolarHBondContact O-CG2 3.42Å; D280-V284 PolarHBondContact O-N 3.08Å
281	H	82.1	Confident	81.4	Confident	133 Å²	133	56.9 Å²	56.9	62%	0.616	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-38.6	173.1	-72.8	-58.5	0	0	0	111.5	N278 V284 F285	N278-H281 VanDerWaalsContact OD1-CB 3.26Å; N278-H281 WeakPolarHBondContact OD1-CB 3.45Å; N278-H281 PolarHBondContact OD1-CD2 3.26Å; N278-H281 PolarHBondContact OD1-N 3.06Å; H281-V284 PolarHBondContact O-N 2.9Å; H281-F285 VanDerWaalsContact O-CB 3.27Å; H281-F285 WeakPolarHBondContact O-CB 3.27Å; H281-F285 PolarHBondContact O-N 2.75Å
282	L	81	Confident	80.8	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-39.2	175.2	-172	63.4	0	0	0	112	I126 I235 S238 L279 D280 F285 M286	I126-L282 HydrophobicContact CD1-CB 4.06Å; I126-L282 HydrophobicContact CD1-CD2 4.05Å; I126-L282 HydrophobicContact CD1-CG 3.67Å; I126-L282 HydrophobicContact CG1-CD2 4.48Å; I126-L282 HydrophobicContact CG1-CG 4.48Å; I126-L282 HydrophobicContact CG2-CD2 4.42Å; I235-L282 HydrophobicContact CD1-CD1 4.49Å; I235-L282 HydrophobicContact CD1-CD2 4.18Å; I235-L282 HydrophobicContact CG1-CD2 4.39Å; I235-L282 HydrophobicContact CG2-CD2 3.92Å; S238-L282 WeakPolarHBondContact OG-CD1 3.3Å; L279-L282 PolarHBondContact O-N 2.81Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.88Å; L282-F285 HydrophobicContact CD1-CD1 4.3Å; L282-F285 PolarHBondContact O-N 3.36Å; L282-M286 HydrophobicContact CD1-CG 4.09Å; L282-M286 HydrophobicContact CD1-SD 3.93Å; L282-M286 HydrophobicContact CG-CG 4.43Å; L282-M286 HydrophobicContact CG-SD 4.05Å; L282-M286 WeakPolarHBondContact O-CB 3.33Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 3.4Å
283	K	86.8	Confident	80.1	Confident	75 Å²	75	63.8 Å²	63.8	33%	0.326	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-48.5	175.5	-171.6	-168.3	178.7	-178.8	0	111.6	I126 L279 D280 K287 A288 L290	I126-K283 VanDerWaalsContact CD1-CA 3.47Å; I126-K283 HydrophobicContact CD1-CB 4.13Å; L279-K283 VanDerWaalsContact O-CB 3.27Å; L279-K283 WeakPolarHBondContact O-CB 3.32Å; L279-K283 PolarHBondContact O-N 3.22Å; D280-K283 WeakPolarHBondContact O-CB 3.42Å; D280-K283 PolarHBondContact O-N 2.94Å; K283-K287 WeakPolarHBondContact O-CA 3.44Å; K283-K287 PolarHBondContact O-N 3.43Å; K283-A288 WeakPolarHBondContact CE-O 3.43Å; K283-A288 WeakPolarHBondContact CG-O 3.27Å; K283-A288 PolarHBondContact O-N 2.98Å; K283-L290 HydrophobicContact CD-CB 3.91Å; K283-L290 HydrophobicContact CG-CB 4.25Å
284	V	87.9	Confident	79	Confident	112 Å²	112	72.8 Å²	72.8	68%	0.679	38%	0.383	S	S	*	.	H	α-helix	trans	-64.5	-46.4	176.5	173.5	0	0	0	0	110.8	D280 H281 K287	D280-V284 WeakPolarHBondContact O-CG2 3.42Å; D280-V284 PolarHBondContact O-N 3.08Å; H281-V284 PolarHBondContact O-N 2.9Å; V284-K287 PolarHBondContact O-N 3.21Å
285	F	86.6	Confident	77.8	Confident	67 Å²	67	75.7 Å²	75.7	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-49.3	179.4	176.9	-111.4	0	0	0	112.7	E254 I257 V258 M261 H281 L282 K287	E254-F285 HydrophobicContact CB-CZ 4.27Å; E254-F285 HydrophobicContact CG-CE1 4.48Å; E254-F285 HydrophobicContact CG-CZ 4.23Å; I257-F285 HydrophobicContact CB-CE1 4.09Å; I257-F285 HydrophobicContact CD1-CE1 4.25Å; I257-F285 HydrophobicContact CG2-CD1 4.22Å; I257-F285 HydrophobicContact CG2-CE1 3.66Å; I257-F285 HydrophobicContact CG2-CZ 4.33Å; V258-F285 HydrophobicContact CG2-CE2 3.84Å; V258-F285 HydrophobicContact CG2-CZ 3.65Å; M261-F285 WeakPolarHBondContact CE-O 3.32Å; H281-F285 VanDerWaalsContact O-CB 3.27Å; H281-F285 WeakPolarHBondContact O-CB 3.27Å; H281-F285 PolarHBondContact O-N 2.75Å; L282-F285 HydrophobicContact CD1-CD1 4.3Å; L282-F285 PolarHBondContact O-N 3.36Å; F285-K287 VanDerWaalsContact C-N 3.27Å; F285-K287 PolarHBondContact O-N 3.38Å
286	M	87.8	Confident	76.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-78.8	-6.3	179.5	-65.4	-173.3	69.4	0	0	113.9	N124 I126 I235 I257 M261 L269 L282 A288	N124-M286 PolarHBondContact ND2-O 3.4Å; I126-M286 HydrophobicContact CD1-SD 4.19Å; I126-M286 HydrophobicContact CG1-SD 4.01Å; I235-M286 HydrophobicContact CD1-CE 4.4Å; I235-M286 HydrophobicContact CD1-SD 3.81Å; I257-M286 HydrophobicContact CD1-SD 4.34Å; I257-M286 HydrophobicContact CG2-CG 4.09Å; M261-M286 WeakPolarHBondContact CE-O 3.42Å; L269-M286 HydrophobicContact CB-CE 3.79Å; L282-M286 HydrophobicContact CD1-CG 4.09Å; L282-M286 HydrophobicContact CD1-SD 3.93Å; L282-M286 HydrophobicContact CG-CG 4.43Å; L282-M286 HydrophobicContact CG-SD 4.05Å; L282-M286 WeakPolarHBondContact O-CB 3.33Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 3.4Å; M286-A288 HydrophobicContact CB-CB 3.86Å; M286-A288 PolarHBondContact O-N 3.5Å
287	K	89.5	Confident	75.4	Confident	173 Å²	173	83.1 Å²	83.1	75%	0.752	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	46.9	-167.9	-60.1	179.4	-177.5	179.8	0	111.6	M261 K283 V284 F285	M261-K287 HydrophobicContact CE-CB 4.09Å; M261-K287 HydrophobicContact CE-CD 4.03Å; M261-K287 HydrophobicContact CE-CG 3.9Å; K283-K287 WeakPolarHBondContact O-CA 3.44Å; K283-K287 PolarHBondContact O-N 3.43Å; V284-K287 PolarHBondContact O-N 3.21Å; F285-K287 VanDerWaalsContact C-N 3.27Å; F285-K287 PolarHBondContact O-N 3.38Å
288	A	89.4	Confident	74.2	Confident	7 Å²	7	84.6 Å²	84.6	6%	0.058	42%	0.419	C	S	.	.			trans	-105.7	157.7	-170.6	0	0	0	0	0	112.2	N124 I126 K283 M286	N124-A288 HydrophobicContact CB-CB 3.77Å; N124-A288 CarbonylContact O-C 3.6Å; N124-A288 VanDerWaalsContact O-CA 3.26Å; N124-A288 WeakPolarHBondContact O-CA 3Å; N124-A288 WeakPolarHBondContact O-CB 3.24Å; I126-A288 HydrophobicContact CD1-CB 4.01Å; I126-A288 HydrophobicContact CG1-CB 3.94Å; K283-A288 WeakPolarHBondContact CE-O 3.43Å; K283-A288 WeakPolarHBondContact CG-O 3.27Å; K283-A288 PolarHBondContact O-N 2.98Å; M286-A288 HydrophobicContact CB-CB 3.86Å; M286-A288 PolarHBondContact O-N 3.5Å
289	D	89.3	Confident	72.6	Confident	65 Å²	65	93.6 Å²	93.6	35%	0.348	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	159.4	156.4	-84.3	-29.6	0	0	0	110.4	A118 N124 L125 I126	A118-D289 HydrophobicContact CB-CB 4.06Å; N124-D289 PolarHBondContact O-N 2.87Å; L125-D289 HydrophobicContact CD1-CB 3.92Å; I126-D289 PolarHBondContact N-O 3.37Å
290	L	86.7	Confident	72.4	Confident	48 Å²	48	97.4 Å²	97.4	25%	0.251	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.5	178.7	176.9	63.7	0	0	0	109.4	I126 L279 K283 T292	I126-L290 HydrophobicContact CB-CD1 3.84Å; I126-L290 HydrophobicContact CG2-CD1 3.65Å; L279-L290 HydrophobicContact CB-CD1 4.03Å; L279-L290 HydrophobicContact CB-CD2 3.75Å; L279-L290 HydrophobicContact CD1-CD1 4.26Å; L279-L290 HydrophobicContact CD1-CD2 4.42Å; L279-L290 HydrophobicContact CD2-CD1 4.22Å; L279-L290 HydrophobicContact CG-CD1 4.39Å; K283-L290 HydrophobicContact CD-CB 3.91Å; K283-L290 HydrophobicContact CG-CB 4.25Å; L290-T292 HydrophobicContact CD1-CG2 4Å; L290-T292 HydrophobicContact CD2-CG2 4.08Å; L290-T292 HydrophobicContact CG-CG2 3.83Å
291	F	84.6	Confident	72	Confident	33 Å²	33	96.8 Å²	96.8	15%	0.145	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123	169.1	-172	-84.6	0	0	0	109.7	W109 K112 V113 L125 I126 I127 S128 L129 H293	W109-F291 HydrophobicContact CE3-CE1 4.3Å; K112-F291 HydrophobicContact CB-CE2 4.05Å; K112-F291 HydrophobicContact CB-CZ 4.09Å; V113-F291 HydrophobicContact CG2-CB 4.49Å; V113-F291 HydrophobicContact CG2-CD1 3.37Å; V113-F291 HydrophobicContact CG2-CD2 3.83Å; V113-F291 HydrophobicContact CG2-CE1 3.3Å; V113-F291 HydrophobicContact CG2-CE2 3.77Å; V113-F291 HydrophobicContact CG2-CG 3.63Å; V113-F291 HydrophobicContact CG2-CZ 3.51Å; L125-F291 HydrophobicContact CD1-CB 4.21Å; I126-F291 PolarHBondContact O-N 3.43Å; I127-F291 WeakPolarHBondContact CA-O 3.4Å; S128-F291 PolarHBondContact N-O 3.04Å; L129-F291 HydrophobicContact CD2-CE1 4.46Å; F291-H293 HydrophobicContact CE1-CB 3.99Å
292	T	78.9	Confident	71.4	Confident	84 Å²	84	94.8 Å²	94.8	52%	0.515	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.3	171.4	71.5	0	0	0	0	109.2	L279 L290	L279-T292 HydrophobicContact CD1-CG2 4.21Å; L290-T292 HydrophobicContact CD1-CG2 4Å; L290-T292 HydrophobicContact CD2-CG2 4.08Å; L290-T292 HydrophobicContact CG-CG2 3.83Å
293	H	70.7	Confident	70.8	Confident	61 Å²	61	99.8 Å²	99.8	28%	0.282	48%	0.484	S	S	.	.			trans	-143.8	126.3	169.8	-156.4	-61.2	0	0	0	108.7	W109 L129 F291 F295	W109-H293 HydrophobicContact CB-CB 4.49Å; L129-H293 HydrophobicContact CD2-CB 3.43Å; L129-H293 VanDerWaalsContact CD2-CB 3.43Å; L129-H293 WeakPolarHBondContact CD2-O 3.48Å; F291-H293 HydrophobicContact CE1-CB 3.99Å; H293-F295 PolarHBondContact O-N 3.44Å
294	Q	57.8	Low	69.8	Low	190 Å²	190	101.3 Å²	101.3	89%	0.888	49%	0.493	S	S	*	.			trans	-74.7	109	165.9	-66.3	-175.7	0.9	0	0	107.4
295	F	49.4	Very low	68.6	Low	80 Å²	80	100.6 Å²	100.6	35%	0.351	48%	0.481	S	S	.	.			trans	-105.2	111	167.1	-176	-95.2	0	0	0	107.4	P130 H293 P297	P130-F295 HydrophobicContact CG-CB 4.13Å; H293-F295 PolarHBondContact O-N 3.44Å; F295-P297 HydrophobicContact CE1-CB 4.04Å; F295-P297 WeakPolarHBondContact O-CD 3.26Å
296	R	40.3	Very low	67.3	Low	227 Å²	227	103 Å²	103	86%	0.857	49%	0.494	S	S	*	.			trans	-87.3	113.7	163.8	-88.1	-169.6	173.6	-159.7	-0.6	107.5	V298	R296-V298 PolarHBondContact O-N 3.19Å
297	P	39.1	Very low	65.8	Low	73 Å²	73	110.9 Å²	110.9	47%	0.474	53%	0.532	S	S	.	.			trans	-61	125.3	165.1	26	-31.6	0	0	0	108.4	F295 F299	F295-P297 HydrophobicContact CE1-CB 4.04Å; F295-P297 WeakPolarHBondContact O-CD 3.26Å; P297-F299 HydrophobicContact CB-CE2 4.39Å; P297-F299 HydrophobicContact CG-CE2 4.1Å
298	V	41.2	Very low	63.8	Low	145 Å²	145	105.8 Å²	105.8	88%	0.879	51%	0.514	S	S	*	.			trans	-82.8	119.9	166.3	-149.4	0	0	0	0	105.9	R296	R296-V298 PolarHBondContact O-N 3.19Å
299	F	38	Very low	61.5	Low	256 Å²	256	114.7 Å²	114.7	100%	1.123	56%	0.556	S	S	*	*			trans	-90.8	0	171.3	-72.4	-80.3	0	0	0	109.7	P297	P297-F299 HydrophobicContact CB-CE2 4.39Å; P297-F299 HydrophobicContact CG-CE2 4.1Å

Retrieved 299 of 299 residues in 532.8 ms (Link to these results)

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