A0A077ZIX9_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077ZIX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	49.5	Very low	231 Å²	231	120.9 Å²	120.9	100%	1.138	69%	0.686	S	S	*	*				0	99.6	0	-66.1	-60.4	170.8	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 2.91Å
2	P	46.1	Very low	49.5	Very low	135 Å²	135	118.9 Å²	118.9	88%	0.877	68%	0.678	S	S	*	*			trans	-65.5	124.9	172.3	-8	24.6	0	0	0	107.7
3	S	50.5	Low	49.4	Very low	70 Å²	70	119.2 Å²	119.2	49%	0.49	68%	0.676	S	S	.	*			trans	-71.2	140.3	-170.7	43.4	0	0	0	0	112.1	M1 E5	M1-S3 PolarHBondContact O-N 2.91Å; S3-E5 PolarHBondContact O-N 3.24Å
4	L	54.3	Low	49.5	Very low	153 Å²	153	115.7 Å²	115.7	80%	0.801	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	0.3	177.3	-81.8	116.2	0	0	0	114.6
5	E	53.2	Low	50	Low	145 Å²	145	116 Å²	116	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-25.4	-176.1	-74.1	172.2	119.8	0	0	113.5	S3 N7 Q8	S3-E5 PolarHBondContact O-N 3.24Å; E5-N7 VanDerWaalsContact C-N 3.26Å; E5-N7 PolarHBondContact O-N 3.13Å; E5-Q8 PolarHBondContact O-N 3.04Å
6	S	50.2	Low	50.6	Low	84 Å²	84	112.9 Å²	112.9	59%	0.587	65%	0.648	S	S	*	*	H	α-helix	trans	-67.9	-24.5	-180	-55	0	0	0	0	113.4
7	N	50.3	Low	51.6	Low	131 Å²	131	113.5 Å²	113.5	70%	0.701	65%	0.649	S	S	*	*	H	α-helix	trans	-82.2	-19	-179	-78.8	-9.3	0	0	0	113.8	E5	E5-N7 VanDerWaalsContact C-N 3.26Å; E5-N7 PolarHBondContact O-N 3.13Å
8	Q	50.5	Low	53.4	Low	141 Å²	141	115.6 Å²	115.6	66%	0.659	65%	0.649	S	S	*	*	H	α-helix	trans	-84.7	-34	-178.2	-66.6	-178.3	45.2	0	0	112.4	E5 A11 T12	E5-Q8 PolarHBondContact O-N 3.04Å; Q8-A11 PolarHBondContact O-N 2.75Å; Q8-T12 PolarHBondContact O-OG1 3.21Å
9	L	50	Low	55	Low	122 Å²	122	119.1 Å²	119.1	64%	0.639	65%	0.653	S	S	*	*	H	α-helix	trans	-70.5	-34.1	175.9	-74.3	161.5	0	0	0	112.5	A11 T12 L13	L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 2.89Å; L9-T12 PolarHBondContact O-N 3.15Å; L9-T12 PolarHBondContact O-OG1 3.33Å; L9-L13 PolarHBondContact O-N 3.2Å
10	A	45.9	Very low	56.7	Low	59 Å²	59	122.8 Å²	122.8	49%	0.488	66%	0.657	S	S	.	*	H	α-helix	trans	-66.3	-33.6	175.7	0	0	0	0	0	112.7	S14	A10-S14 PolarHBondContact O-N 2.95Å
11	A	49.8	Very low	58.4	Low	59 Å²	59	124 Å²	124	49%	0.488	66%	0.658	S	S	.	*	H	α-helix	trans	-73	-26.3	179.5	0	0	0	0	0	113.5	Q8 L9 S14	Q8-A11 PolarHBondContact O-N 2.75Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 2.89Å; A11-S14 PolarHBondContact O-OG 2.93Å
12	T	49.4	Very low	60.8	Low	97 Å²	97	117.8 Å²	117.8	60%	0.595	63%	0.63	S	S	*	*	H	α-helix	trans	-79.9	-31.9	174.7	37.9	0	0	0	0	113.3	Q8 L9	Q8-T12 PolarHBondContact O-OG1 3.21Å; L9-T12 PolarHBondContact O-N 3.15Å; L9-T12 PolarHBondContact O-OG1 3.33Å
13	L	49.2	Very low	63	Low	123 Å²	123	114 Å²	114	64%	0.644	61%	0.606	S	S	*	*	H	α-helix	trans	-72.9	-30.3	175.8	-81.6	151.7	0	0	0	112.6	L9 N15 S16	L9-L13 PolarHBondContact O-N 3.2Å; L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 3.15Å; L13-S16 PolarHBondContact O-OG 3.47Å
14	S	51	Low	65.1	Low	70 Å²	70	118.7 Å²	118.7	49%	0.49	62%	0.62	S	S	.	*	H	α-helix	trans	-68.4	-32	178.9	67.4	0	0	0	0	112.8	A10 A11 N17 K18	A10-S14 PolarHBondContact O-N 2.95Å; A11-S14 PolarHBondContact O-OG 2.93Å; S14-N17 PolarHBondContact O-N 2.94Å; S14-K18 PolarHBondContact O-N 3.34Å
15	N	56.4	Low	67	Low	120 Å²	120	118.4 Å²	118.4	64%	0.642	61%	0.61	S	S	*	*	H	α-helix	trans	-75.5	-32.2	-179	-114.5	13.8	0	0	0	113.4	L13 N17	L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 3.15Å; N15-N17 VanDerWaalsContact C-N 3.31Å
16	S	59	Low	69	Low	66 Å²	66	114 Å²	114	46%	0.462	59%	0.591	S	S	.	*	H	α-helix	trans	-68.4	-32.4	174.5	44.2	0	0	0	0	112.5	L13	L13-S16 PolarHBondContact O-OG 3.47Å
17	N	68	Low	71.1	Confident	124 Å²	124	115.5 Å²	115.5	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-73	-33.9	-178.4	-126.5	11.1	0	0	0	111.9	S14 N15 Y19 W20 E21	S14-N17 PolarHBondContact O-N 2.94Å; N15-N17 VanDerWaalsContact C-N 3.31Å; N17-Y19 VanDerWaalsContact C-N 3.32Å; N17-Y19 PolarHBondContact O-N 3.06Å; N17-W20 PolarHBondContact O-N 3.43Å; N17-E21 PolarHBondContact O-N 3.46Å; N17-E21 VanDerWaalsContact O-N 3.08Å
18	K	84.3	Confident	73.2	Confident	150 Å²	150	115.5 Å²	115.5	65%	0.652	59%	0.592	S	S	*	*	H	α-helix	trans	-63.1	-34.2	179.1	-170	175.7	-177.6	178.4	0	113.4	S14 W20 E21	S14-K18 PolarHBondContact O-N 3.34Å; K18-W20 VanDerWaalsContact C-N 3.29Å; K18-W20 PolarHBondContact O-N 3.14Å; K18-E21 PolarHBondContact O-N 2.86Å
19	Y	84.4	Confident	75.3	Confident	183 Å²	183	116 Å²	116	72%	0.718	59%	0.587	S	S	*	*	H	α-helix	trans	-69.5	-28.3	-179.6	-174.6	-97.5	0	0	0	112.8	N17	N17-Y19 VanDerWaalsContact C-N 3.32Å; N17-Y19 PolarHBondContact O-N 3.06Å
20	W	89.1	Confident	77.5	Confident	192 Å²	192	115.7 Å²	115.7	73%	0.727	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	8.3	-179.7	-58.4	112.1	0	0	0	113.2	N17 K18 L22	N17-W20 PolarHBondContact O-N 3.43Å; K18-W20 VanDerWaalsContact C-N 3.29Å; K18-W20 PolarHBondContact O-N 3.14Å; W20-L22 PolarHBondContact O-N 3.42Å
21	E	92.3	Very high	79.8	Confident	148 Å²	148	123 Å²	123	69%	0.692	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-69.5	117.4	176.4	-170.4	172.2	-170.7	0	0	109	N17 K18	N17-E21 PolarHBondContact O-N 3.46Å; N17-E21 VanDerWaalsContact O-N 3.08Å; K18-E21 PolarHBondContact O-N 2.86Å
22	L	92.6	Very high	81.9	Confident	102 Å²	102	127.4 Å²	127.4	53%	0.534	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-71.6	131.8	179.7	-61.1	179.8	0	0	0	109.3	W20 D26 L27	W20-L22 PolarHBondContact O-N 3.42Å; L22-D26 HydrophobicContact CB-CB 3.95Å; L22-D26 HydrophobicContact CD2-CB 4.1Å; L22-L27 HydrophobicContact CB-CD2 3.97Å; L22-L27 HydrophobicContact CB-CG 4.09Å; L22-L27 HydrophobicContact CD1-CD2 3.86Å
23	S	92.6	Very high	84	Confident	55 Å²	55	129 Å²	129	39%	0.385	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-67.3	163	170.7	69.7	0	0	0	0	111.1	Y25 D26 L27	S23-Y25 PolarHBondContact O-N 2.99Å; S23-Y25 PolarHBondContact OG-N 3.35Å; S23-D26 PolarHBondContact N-OD2 3.43Å; S23-D26 PolarHBondContact O-N 2.93Å; S23-D26 PolarHBondContact OG-N 3.3Å; S23-D26 VanDerWaalsContact OG-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 3.3Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 2.96Å
24	E	93.5	Very high	86.1	Confident	168 Å²	168	127.7 Å²	127.7	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-55.6	-36.1	171.7	-66.2	-176.2	168.7	0	0	111.6	N28	E24-N28 PolarHBondContact O-N 3Å; E24-N28 PolarHBondContact O-OD1 2.95Å
25	Y	95	Very high	88.1	Confident	147 Å²	147	130.8 Å²	130.8	58%	0.576	63%	0.629	S	S	*	*	H	α-helix	trans	-61.7	-46.6	171.8	168.8	-97.2	0	0	0	111.8	S23 L27 N28 R29	S23-Y25 PolarHBondContact O-N 2.99Å; S23-Y25 PolarHBondContact OG-N 3.35Å; Y25-L27 VanDerWaalsContact C-N 3.31Å; Y25-L27 PolarHBondContact O-N 3.47Å; Y25-N28 CarbonylContact O-C 3.45Å; Y25-N28 PolarHBondContact O-N 3.39Å; Y25-N28 VanDerWaalsContact O-N 3.09Å; Y25-R29 HydrophobicContact CE1-CB 4.11Å; Y25-R29 HydrophobicContact CE2-CB 4.35Å; Y25-R29 WeakPolarHBondContact O-CA 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.48Å; Y25-R29 PolarHBondContact O-N 3.23Å
26	D	94.4	Very high	89.8	Confident	52 Å²	52	131.4 Å²	131.4	28%	0.278	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-33.7	-178.7	-72.1	-62.6	0	0	0	113.4	L22 S23 N28 R29	L22-D26 HydrophobicContact CB-CB 3.95Å; L22-D26 HydrophobicContact CD2-CB 4.1Å; S23-D26 PolarHBondContact N-OD2 3.43Å; S23-D26 PolarHBondContact O-N 2.93Å; S23-D26 PolarHBondContact OG-N 3.3Å; S23-D26 VanDerWaalsContact OG-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 3.3Å; D26-N28 PolarHBondContact O-N 2.94Å; D26-R29 IonicContact OD1-NH1 3.45Å; D26-R29 PolarHBondContact OD1-NH1 3.37Å
27	L	94.6	Very high	91.4	Very high	117 Å²	117	133 Å²	133	61%	0.613	64%	0.641	S	S	*	*	H	α-helix	trans	-65.9	-26.3	174.9	-69.1	174	0	0	0	112.3	L22 S23 Y25	L22-L27 HydrophobicContact CB-CD2 3.97Å; L22-L27 HydrophobicContact CB-CG 4.09Å; L22-L27 HydrophobicContact CD1-CD2 3.86Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 2.96Å; Y25-L27 VanDerWaalsContact C-N 3.31Å; Y25-L27 PolarHBondContact O-N 3.47Å
28	N	95.1	Very high	92.5	Very high	130 Å²	130	134.8 Å²	134.8	70%	0.695	65%	0.65	S	S	*	*	H	α-helix	trans	-115.8	-0.9	-173.6	-67.2	95.9	0	0	0	114.1	E24 Y25 D26 T30	E24-N28 PolarHBondContact O-N 3Å; E24-N28 PolarHBondContact O-OD1 2.95Å; Y25-N28 CarbonylContact O-C 3.45Å; Y25-N28 PolarHBondContact O-N 3.39Å; Y25-N28 VanDerWaalsContact O-N 3.09Å; D26-N28 PolarHBondContact O-N 2.94Å; N28-T30 PolarHBondContact O-N 3.27Å
29	R	95.3	Very high	92.9	Very high	152 Å²	152	131.5 Å²	131.5	57%	0.574	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.3	-175.1	75	-177.5	-160.4	-139	-0.5	111.2	Y25 D26	Y25-R29 HydrophobicContact CE1-CB 4.11Å; Y25-R29 HydrophobicContact CE2-CB 4.35Å; Y25-R29 WeakPolarHBondContact O-CA 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.48Å; Y25-R29 PolarHBondContact O-N 3.23Å; D26-R29 IonicContact OD1-NH1 3.45Å; D26-R29 PolarHBondContact OD1-NH1 3.37Å
30	T	95.1	Very high	93.1	Very high	115 Å²	115	132.1 Å²	132.1	71%	0.706	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-83	158.3	173.2	52.8	0	0	0	0	110.7	N28 H32	N28-T30 PolarHBondContact O-N 3.27Å; T30-H32 PolarHBondContact O-N 3.31Å
31	R	95	Very high	92.9	Very high	212 Å²	212	128.6 Å²	128.6	80%	0.8	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-64.5	133.7	173.7	-171.6	-174.8	-151.3	173	6.5	109.2	D33	R31-D33 PolarHBondContact O-N 3.23Å
32	H	93.8	Very high	92.6	Very high	153 Å²	153	130.6 Å²	130.6	71%	0.708	66%	0.658	S	S	*	*			trans	-78.7	114.7	163.7	-69.1	-75.9	0	0	0	108.8	T30	T30-H32 PolarHBondContact O-N 3.31Å
33	D	94	Very high	92	Very high	129 Å²	129	130 Å²	130	69%	0.69	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-69	138.9	176.8	-67.8	-39.7	0	0	0	110.1	R31	R31-D33 PolarHBondContact O-N 3.23Å
34	P	92.8	Very high	91.4	Very high	96 Å²	96	129.8 Å²	129.8	62%	0.623	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-65	145.8	177.3	28.6	-34	0	0	0	110	T36	P34-T36 PolarHBondContact O-N 3.23Å
35	I	92.9	Very high	90.4	Very high	135 Å²	135	124.4 Å²	124.4	69%	0.692	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-68.3	119.6	172	-58.4	173.4	0	0	0	107.9	D37 T39	I35-D37 WeakPolarHBondContact CG2-OD1 3.38Å; I35-T39 WeakPolarHBondContact CG2-OG1 3.35Å
36	T	92.9	Very high	89.6	Confident	134 Å²	134	125.7 Å²	125.7	82%	0.822	64%	0.637	S	S	*	*			trans	-113.8	0.6	-175.8	52.1	0	0	0	0	113.9	P34	P34-T36 PolarHBondContact O-N 3.23Å
37	D	92.8	Very high	89.1	Confident	99 Å²	99	125.9 Å²	125.9	53%	0.529	65%	0.646	S	S	.	*	S	Bend	trans	-86.3	172.8	175.2	62.9	5.7	0	0	0	111.7	I35 T39	I35-D37 WeakPolarHBondContact CG2-OD1 3.38Å; D37-T39 VanDerWaalsContact CG-CG2 3.42Å; D37-T39 PolarHBondContact O-N 2.97Å; D37-T39 VanDerWaalsContact OD1-CB 3.3Å; D37-T39 WeakPolarHBondContact OD1-CB 3.45Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.37Å; D37-T39 PolarHBondContact OD1-N 3.01Å; D37-T39 PolarHBondContact OD1-OG1 3.24Å; D37-T39 VanDerWaalsContact OD2-CG2 3.3Å; D37-T39 WeakPolarHBondContact OD2-CG2 3.36Å
38	D	90.7	Very high	88.7	Confident	161 Å²	161	122.6 Å²	122.6	86%	0.861	63%	0.629	S	S	*	*			trans	-77.6	29.3	179.7	-66.4	-41.2	0	0	0	113	K40	D38-K40 PolarHBondContact O-N 3.36Å
39	T	91.8	Very high	88.2	Confident	81 Å²	81	118.2 Å²	118.2	50%	0.497	61%	0.608	S	S	.	*			trans	-62.8	123.2	178.2	45.4	0	0	0	0	110.6	I35 D37	I35-T39 WeakPolarHBondContact CG2-OG1 3.35Å; D37-T39 VanDerWaalsContact CG-CG2 3.42Å; D37-T39 PolarHBondContact O-N 2.97Å; D37-T39 VanDerWaalsContact OD1-CB 3.3Å; D37-T39 WeakPolarHBondContact OD1-CB 3.45Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.37Å; D37-T39 PolarHBondContact OD1-N 3.01Å; D37-T39 PolarHBondContact OD1-OG1 3.24Å; D37-T39 VanDerWaalsContact OD2-CG2 3.3Å; D37-T39 WeakPolarHBondContact OD2-CG2 3.36Å
40	K	88.2	Confident	87.9	Confident	196 Å²	196	115.1 Å²	115.1	85%	0.852	61%	0.61	S	S	*	*			trans	-98.3	128	177.9	-64.7	-178.2	-176.8	176.9	0	109.3	D38	D38-K40 PolarHBondContact O-N 3.36Å
41	V	86.8	Confident	87.7	Confident	118 Å²	118	114.4 Å²	114.4	72%	0.715	60%	0.598	S	S	*	*			trans	-102	115.9	173.3	-177.3	0	0	0	0	108.2	L43	V41-L43 HydrophobicContact CG1-CD2 3.64Å; V41-L43 HydrophobicContact CG1-CG 4.07Å
42	E	85	Confident	87.6	Confident	191 Å²	191	104.6 Å²	104.6	89%	0.893	56%	0.562	S	S	*	*			trans	-81.4	119	171.3	-64.5	-169.9	169.2	0	0	109.3
43	L	80.5	Confident	87.6	Confident	88 Å²	88	100.6 Å²	100.6	46%	0.461	54%	0.544	S	S	.	.			trans	-109.9	124.9	178.8	-62.2	176.9	0	0	0	109.2	V41 L48 I116	V41-L43 HydrophobicContact CG1-CD2 3.64Å; V41-L43 HydrophobicContact CG1-CG 4.07Å; L43-L48 HydrophobicContact CD1-CD1 4.05Å; L43-I116 HydrophobicContact CD1-CG2 4.11Å
44	S	79.6	Confident	87.8	Confident	51 Å²	51	94.5 Å²	94.5	36%	0.357	51%	0.512	S	S	.	.			trans	-69.1	141.7	167.9	79	0	0	0	0	109	R46 A47	S44-R46 PolarHBondContact O-N 3.01Å; S44-A47 WeakPolarHBondContact O-CB 3.45Å; S44-A47 PolarHBondContact O-N 2.9Å; S44-A47 WeakPolarHBondContact OG-CB 3.33Å; S44-A47 PolarHBondContact OG-N 3.33Å
45	P	73.1	Confident	87.9	Confident	55 Å²	55	93 Å²	93	36%	0.357	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-15	178	-28.1	35.2	0	0	0	114.7	Y117 Y123 M126	P45-Y117 WeakPolarHBondContact CA-OH 3.38Å; P45-Y117 PolarHBondContact O-OH 3.28Å; P45-Y117 VanDerWaalsContact O-OH 3.14Å; P45-Y123 HydrophobicContact CB-CE2 4.07Å; P45-M126 HydrophobicContact CB-CE 4.41Å; P45-M126 HydrophobicContact CG-CE 4.16Å
46	R	78.2	Confident	88.1	Confident	175 Å²	175	89.5 Å²	89.5	66%	0.66	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-23.8	179.2	-65.2	-178.4	-179.2	166.8	2.9	113.2	S44 L48 S49	S44-R46 PolarHBondContact O-N 3.01Å; R46-L48 PolarHBondContact O-N 3.5Å; R46-S49 WeakPolarHBondContact O-CB 3.48Å; R46-S49 PolarHBondContact O-N 2.83Å; R46-S49 VanDerWaalsContact O-N 3.1Å; R46-S49 PolarHBondContact O-OG 3.18Å
47	A	83.6	Confident	88.2	Confident	55 Å²	55	85.9 Å²	85.9	46%	0.455	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34	-173.3	0	0	0	0	0	113	S44	S44-A47 WeakPolarHBondContact O-CB 3.45Å; S44-A47 PolarHBondContact O-N 2.9Å; S44-A47 WeakPolarHBondContact OG-CB 3.33Å; S44-A47 PolarHBondContact OG-N 3.33Å
48	L	86.3	Confident	88.2	Confident	49 Å²	49	87.1 Å²	87.1	26%	0.257	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	17.4	-179.5	-60.2	177	0	0	0	112.9	L43 R46 S50 E51 L52 I116	L43-L48 HydrophobicContact CD1-CD1 4.05Å; R46-L48 PolarHBondContact O-N 3.5Å; L48-S50 PolarHBondContact O-N 3.39Å; L48-E51 VanDerWaalsContact C-OE2 3.24Å; L48-E51 VanDerWaalsContact CA-OE2 3.24Å; L48-E51 WeakPolarHBondContact CA-OE2 3.42Å; L48-E51 PolarHBondContact O-N 3.36Å; L48-L52 HydrophobicContact CB-CD1 3.83Å; L48-L52 HydrophobicContact CB-CG 4.14Å; L48-L52 HydrophobicContact CD1-CD1 4.46Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.44Å; L48-I116 HydrophobicContact CD1-CD1 3.75Å; L48-I116 HydrophobicContact CD1-CG2 4.32Å
49	S	83.3	Confident	88.2	Confident	38 Å²	38	81.2 Å²	81.2	27%	0.266	44%	0.438	S	S	.	.	H	α-helix	trans	-67.4	-35.1	-172.8	60.1	0	0	0	0	112.5	R46 M53	R46-S49 WeakPolarHBondContact O-CB 3.48Å; R46-S49 PolarHBondContact O-N 2.83Å; R46-S49 VanDerWaalsContact O-N 3.1Å; R46-S49 PolarHBondContact O-OG 3.18Å; S49-M53 WeakPolarHBondContact O-CB 3.3Å; S49-M53 PolarHBondContact O-N 2.83Å
50	S	88.6	Confident	88.2	Confident	87 Å²	87	77.7 Å²	77.7	61%	0.608	42%	0.416	S	S	*	.	H	α-helix	trans	-72.3	-35.9	177	32.3	0	0	0	0	113	L48	L48-S50 PolarHBondContact O-N 3.39Å
51	E	92.5	Very high	88.5	Confident	99 Å²	99	68.5 Å²	68.5	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-76.3	-37.3	-173.7	-66	65.5	-142	0	0	111.1	L48 Y109	L48-E51 VanDerWaalsContact C-OE2 3.24Å; L48-E51 VanDerWaalsContact CA-OE2 3.24Å; L48-E51 WeakPolarHBondContact CA-OE2 3.42Å; L48-E51 PolarHBondContact O-N 3.36Å; E51-Y109 PolarHBondContact O-OH 2.99Å
52	L	92.8	Very high	88.8	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-97.7	-1.2	-173.6	-51.3	176.3	0	0	0	113.7	L48 M60 L61 Y109 I113 I116 Y117	L48-L52 HydrophobicContact CB-CD1 3.83Å; L48-L52 HydrophobicContact CB-CG 4.14Å; L48-L52 HydrophobicContact CD1-CD1 4.46Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.44Å; L52-M60 HydrophobicContact CB-CE 4.13Å; L52-M60 HydrophobicContact CB-SD 3.36Å; L52-M60 WeakPolarHBondContact CB-SD 3.36Å; L52-M60 HydrophobicContact CD1-CE 4.24Å; L52-M60 HydrophobicContact CD1-SD 4.05Å; L52-M60 HydrophobicContact CG-SD 4.33Å; L52-M60 WeakPolarHBondContact O-CA 3.34Å; L52-L61 WeakPolarHBondContact O-CG 3.37Å; L52-L61 PolarHBondContact O-N 3.24Å; L52-Y109 HydrophobicContact CD2-CE1 3.88Å; L52-Y109 WeakPolarHBondContact CD2-OH 3.41Å; L52-I113 HydrophobicContact CD2-CG1 3.95Å; L52-I116 HydrophobicContact CD1-CD1 4.3Å; L52-Y117 HydrophobicContact CD1-CD2 4.26Å; L52-Y117 HydrophobicContact CD1-CE2 3.73Å
53	M	93.4	Very high	89.4	Confident	70 Å²	70	64.3 Å²	64.3	35%	0.345	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-87.4	138.3	-179.2	-179.4	-173.4	-56.6	0	0	112.1	S49 P55 L58	S49-M53 WeakPolarHBondContact O-CB 3.3Å; S49-M53 PolarHBondContact O-N 2.83Å; M53-P55 WeakPolarHBondContact O-CD 3.38Å; M53-L58 HydrophobicContact SD-CB 4.32Å; M53-L58 HydrophobicContact SD-CD2 4.49Å
54	C	97	Very high	90.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.			trans	-75.7	124.6	170.7	-177.1	0	0	0	0	110.6	I56 C57 L58 D59 L61 C75	C54-I56 PolarHBondContact O-N 3.21Å; C54-C57 VanDerWaalsContact CB-SG 3.53Å; C54-L58 VanDerWaalsContact O-CA 3.31Å; C54-L58 WeakPolarHBondContact O-CA 3.4Å; C54-L58 PolarHBondContact O-N 3.04Å; C54-D59 WeakPolarHBondContact CB-O 3.32Å; C54-D59 PolarHBondContact N-O 3.03Å; C54-L61 HydrophobicContact CB-CD2 3.7Å; C54-L61 HydrophobicContact CB-CG 4.3Å; C54-C75 VanDerWaalsContact CB-SG 3.51Å; C54-C75 PolarHBondContact SG-N 3.22Å; C54-C75 VanDerWaalsContact SG-N 3.36Å
55	P	96.1	Very high	91.1	Very high	65 Å²	65	58.1 Å²	58.1	42%	0.422	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.3	178.8	-23.4	33.7	0	0	0	115.4	M53 R73 F74	M53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-R73 VanDerWaalsContact CD-O 3.29Å; P55-R73 WeakPolarHBondContact CD-O 3.45Å; P55-F74 HydrophobicContact CB-CE1 4.11Å; P55-F74 HydrophobicContact CG-CD1 4.3Å; P55-F74 HydrophobicContact CG-CE1 3.96Å
56	I	96.6	Very high	92.3	Very high	61 Å²	61	55.5 Å²	55.5	31%	0.313	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-55	-178.1	-61.2	166.8	0	0	0	111	C54 F74 C78 I79 A82 P91	C54-I56 PolarHBondContact O-N 3.21Å; I56-F74 HydrophobicContact CD1-CB 4.24Å; I56-F74 HydrophobicContact CD1-CD1 3.52Å; I56-F74 HydrophobicContact CD1-CE1 4.19Å; I56-F74 HydrophobicContact CD1-CG 4.08Å; I56-F74 HydrophobicContact CG1-CD1 3.77Å; I56-F74 HydrophobicContact CG1-CE1 4.19Å; I56-C78 HydrophobicContact CB-CB 3.87Å; I56-C78 HydrophobicContact CD1-CB 3.75Å; I56-C78 HydrophobicContact CG1-CB 4.42Å; I56-C78 HydrophobicContact CG2-CB 3.85Å; I56-I79 HydrophobicContact CD1-CB 4.43Å; I56-I79 HydrophobicContact CD1-CD1 4.4Å; I56-A82 HydrophobicContact CD1-CB 4.22Å; I56-P91 HydrophobicContact CD1-CG 4.07Å; I56-P91 HydrophobicContact CG1-CB 4.29Å; I56-P91 HydrophobicContact CG1-CG 4.31Å
57	C	95.1	Very high	93.2	Very high	59 Å²	59	47.2 Å²	47.2	40%	0.399	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.9	-178.3	65	0	0	0	0	113.9	C54 D59	C54-C57 VanDerWaalsContact CB-SG 3.53Å; C57-D59 PolarHBondContact O-N 3.29Å
58	L	92.7	Very high	93.8	Very high	124 Å²	124	49.7 Å²	49.7	65%	0.649	26%	0.263	S	S	*	.	S	Bend	trans	57.6	25.9	-178.4	-49.6	179.4	0	0	0	113.6	M53 C54	M53-L58 HydrophobicContact SD-CB 4.32Å; M53-L58 HydrophobicContact SD-CD2 4.49Å; C54-L58 VanDerWaalsContact O-CA 3.31Å; C54-L58 WeakPolarHBondContact O-CA 3.4Å; C54-L58 PolarHBondContact O-N 3.04Å
59	D	90.9	Very high	94.2	Very high	37 Å²	37	54.9 Å²	54.9	20%	0.198	29%	0.286	C	S	.	.	S	Bend	trans	-123.1	163.9	177.8	-173.8	19.3	0	0	0	109.2	C54 C57 L61 R62 R120	C54-D59 WeakPolarHBondContact CB-O 3.32Å; C54-D59 PolarHBondContact N-O 3.03Å; C57-D59 PolarHBondContact O-N 3.29Å; D59-L61 PolarHBondContact O-N 3.06Å; D59-R62 IonicContact OD2-NE 3.85Å; D59-R62 IonicContact OD2-NH2 2.86Å; D59-R62 PolarHBondContact OD2-NH2 3.31Å; D59-R120 IonicContact OD1-NH2 3.75Å; D59-R120 IonicContact OD2-NH2 2.91Å; D59-R120 PolarHBondContact OD2-NH2 3.47Å
60	M	91.2	Very high	94.9	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.039	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-50.1	135.3	176	-180	73.6	64.8	0	0	111.1	L52 R62 I113 Y117 R120 Y123	L52-M60 HydrophobicContact CB-CE 4.13Å; L52-M60 HydrophobicContact CB-SD 3.36Å; L52-M60 WeakPolarHBondContact CB-SD 3.36Å; L52-M60 HydrophobicContact CD1-CE 4.24Å; L52-M60 HydrophobicContact CD1-SD 4.05Å; L52-M60 HydrophobicContact CG-SD 4.33Å; L52-M60 WeakPolarHBondContact O-CA 3.34Å; M60-R62 PolarHBondContact O-N 3.47Å; M60-I113 HydrophobicContact CG-CG2 4.01Å; M60-I113 HydrophobicContact SD-CG1 4.44Å; M60-I113 HydrophobicContact SD-CG2 3.87Å; M60-Y117 HydrophobicContact CE-CD2 3.52Å; M60-Y117 HydrophobicContact CE-CE2 3.39Å; M60-Y117 HydrophobicContact CE-CG 4.3Å; M60-Y117 HydrophobicContact SD-CD2 4.32Å; M60-Y117 HydrophobicContact SD-CE2 4.49Å; M60-R120 PolarHBondContact O-NH1 3.44Å; M60-R120 PolarHBondContact O-NH2 3.43Å; M60-Y123 HydrophobicContact CE-CE1 4.05Å; M60-Y123 HydrophobicContact CE-CE2 4.45Å
61	L	95	Very high	95.3	Very high	3 Å²	3	55 Å²	55	2%	0.016	28%	0.278	C	S	.	.			trans	-56.2	139.8	-177.2	-73.4	159.1	0	0	0	112.2	L52 C54 D59 T64 R73 F74 Y109 I113 R120	L52-L61 WeakPolarHBondContact O-CG 3.37Å; L52-L61 PolarHBondContact O-N 3.24Å; C54-L61 HydrophobicContact CB-CD2 3.7Å; C54-L61 HydrophobicContact CB-CG 4.3Å; D59-L61 PolarHBondContact O-N 3.06Å; L61-T64 HydrophobicContact CD1-CG2 4.36Å; L61-R73 HydrophobicContact CD1-CB 3.82Å; L61-R73 HydrophobicContact CD2-CB 4.28Å; L61-F74 VanDerWaalsContact CD2-CA 3.46Å; L61-Y109 HydrophobicContact CD1-CD1 4.13Å; L61-Y109 HydrophobicContact CD1-CE1 3.66Å; L61-I113 HydrophobicContact CB-CD1 3.76Å; L61-R120 PolarHBondContact O-NH1 3.18Å
62	R	94.2	Very high	95.5	Very high	116 Å²	116	53 Å²	53	44%	0.438	27%	0.269	S	S	.	.	S	Bend	trans	-128.5	126.5	175.3	-66	-179.2	-164	-142.8	-5.7	109.3	D59 M60 C75 Q76 R120 D124	D59-R62 IonicContact OD2-NE 3.85Å; D59-R62 IonicContact OD2-NH2 2.86Å; D59-R62 PolarHBondContact OD2-NH2 3.31Å; M60-R62 PolarHBondContact O-N 3.47Å; R62-C75 PolarHBondContact N-SG 3.4Å; R62-C75 WeakPolarHBondContact O-CA 2.89Å; R62-C75 WeakPolarHBondContact O-CB 3.47Å; R62-Q76 PolarHBondContact O-N 2.96Å; R62-R120 VanDerWaalsContact CG-CZ 3.43Å; R62-D124 IonicContact NH2-OD2 3.25Å; R62-D124 PolarHBondContact NH2-OD2 2.8Å
63	N	96.7	Very high	95.8	Very high	104 Å²	104	56.7 Å²	56.7	56%	0.556	28%	0.282	S	S	*	.	S	Bend	trans	48.9	66.4	-177.1	-57.2	102	0	0	0	110.3	M65 Q76 D110	N63-M65 PolarHBondContact O-N 3.44Å; N63-Q76 HydrophobicContact CB-CB 3.92Å; N63-Q76 WeakPolarHBondContact O-CB 3.32Å; N63-Q76 PolarHBondContact O-N 2.81Å; N63-Q76 VanDerWaalsContact O-N 3.15Å; N63-D110 WeakPolarHBondContact CA-OD2 3.2Å
64	T	97.7	Very high	96	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	125.9	-166	-59.9	0	0	0	0	111.3	L61 R73 P105 D106 Y109 D110	L61-T64 HydrophobicContact CD1-CG2 4.36Å; T64-R73 HydrophobicContact CG2-CB 3.9Å; T64-R73 HydrophobicContact CG2-CG 3.97Å; T64-P105 WeakPolarHBondContact O-CA 3.4Å; T64-D106 HydrophobicContact CG2-CB 4.11Å; T64-D106 PolarHBondContact O-N 3.22Å; T64-Y109 HydrophobicContact CG2-CD1 4.09Å; T64-Y109 HydrophobicContact CG2-CG 4.49Å; T64-D110 WeakPolarHBondContact CB-OD1 3.44Å; T64-D110 VanDerWaalsContact N-CG 3.35Å; T64-D110 PolarHBondContact N-OD1 3.39Å; T64-D110 PolarHBondContact N-OD2 2.73Å; T64-D110 PolarHBondContact OG1-OD1 2.88Å
65	M	98	Very high	96	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.044	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.5	169.9	-65.7	-65.6	-61.5	0	0	109.3	N63 R73 F74 Q76 I79 L103 R104 P105	N63-M65 PolarHBondContact O-N 3.44Å; M65-R73 WeakPolarHBondContact O-CA 3.25Å; M65-F74 PolarHBondContact N-O 3.35Å; M65-F74 PolarHBondContact O-N 3.21Å; M65-Q76 HydrophobicContact CG-CB 3.76Å; M65-Q76 HydrophobicContact CG-CG 3.91Å; M65-Q76 HydrophobicContact SD-CB 4.49Å; M65-Q76 HydrophobicContact SD-CG 4.17Å; M65-I79 HydrophobicContact CB-CG2 3.81Å; M65-I79 HydrophobicContact CG-CG2 4.11Å; M65-L103 HydrophobicContact CE-CB 3.59Å; M65-L103 HydrophobicContact CE-CD1 4.27Å; M65-R104 WeakPolarHBondContact CA-O 3.5Å; M65-P105 HydrophobicContact SD-CB 4.07Å
66	T	98.1	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.8	-177.7	-55.2	0	0	0	0	110.2	L71 H72 R73 L103 R104 D106	T66-L71 HydrophobicContact CG2-CB 4.35Å; T66-L71 HydrophobicContact CG2-CD2 4.12Å; T66-H72 WeakPolarHBondContact CA-O 2.84Å; T66-R73 HydrophobicContact CG2-CG 4.41Å; T66-L103 CarbonylContact O-C 3.57Å; T66-L103 WeakPolarHBondContact O-CA 3.17Å; T66-R104 PolarHBondContact N-O 3.17Å; T66-R104 PolarHBondContact O-N 3Å; T66-D106 WeakPolarHBondContact OG1-CB 3.4Å; T66-D106 PolarHBondContact OG1-OD2 3.04Å
67	T	97.6	Very high	96.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.9	172.2	56.7	0	0	0	0	110.8	C70 L71 H72 F74 L97 L103	T67-C70 PolarHBondContact OG1-SG 2.84Å; T67-L71 VanDerWaalsContact O-CA 3.29Å; T67-L71 WeakPolarHBondContact O-CA 3.42Å; T67-L71 PolarHBondContact O-N 3.46Å; T67-L71 VanDerWaalsContact O-N 3.07Å; T67-L71 PolarHBondContact OG1-N 2.83Å; T67-H72 PolarHBondContact N-O 3.21Å; T67-H72 PolarHBondContact OG1-N 2.95Å; T67-H72 PolarHBondContact OG1-O 3.14Å; T67-F74 HydrophobicContact CG2-CD2 4.47Å; T67-F74 HydrophobicContact CG2-CE2 3.92Å; T67-L97 HydrophobicContact CG2-CD1 3.76Å; T67-L97 HydrophobicContact CG2-CD2 3.87Å; T67-L97 HydrophobicContact CG2-CG 4.45Å; T67-L103 HydrophobicContact CG2-CD2 3.64Å
68	K	96.5	Very high	96.3	Very high	108 Å²	108	57 Å²	57	47%	0.47	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-39	-177.2	-70.7	176.5	177.7	172.2	0	113.5	R101 S102	K68-R101 WeakPolarHBondContact CE-O 3.31Å; K68-R101 PolarHBondContact NZ-O 2.79Å; K68-S102 PolarHBondContact N-O 3.49Å
69	E	94.7	Very high	96.5	Very high	157 Å²	157	51 Å²	51	73%	0.734	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-37.9	-174.8	-59.3	-56.2	134.8	0	0	113.4
70	C	96.8	Very high	96.7	Very high	31 Å²	31	50.7 Å²	50.7	21%	0.209	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	1.2	-170.5	53.6	0	0	0	0	114.6	T67 H72 C93	T67-C70 PolarHBondContact OG1-SG 2.84Å; C70-H72 PolarHBondContact O-N 2.63Å; C70-H72 PolarHBondContact SG-ND1 3.43Å; C70-H72 VanDerWaalsContact SG-ND1 3.43Å; C70-C93 PolarHBondContact SG-SG 2.83Å
71	L	96.9	Very high	97	Very high	97 Å²	97	53.7 Å²	53.7	51%	0.508	26%	0.26	S	S	.	.			trans	54.3	22.7	175.9	-57.1	178.9	0	0	0	115.6	T66 T67	T66-L71 HydrophobicContact CG2-CB 4.35Å; T66-L71 HydrophobicContact CG2-CD2 4.12Å; T67-L71 VanDerWaalsContact O-CA 3.29Å; T67-L71 WeakPolarHBondContact O-CA 3.42Å; T67-L71 PolarHBondContact O-N 3.46Å; T67-L71 VanDerWaalsContact O-N 3.07Å; T67-L71 PolarHBondContact OG1-N 2.83Å
72	H	97.9	Very high	97	Very high	57 Å²	57	54.8 Å²	54.8	26%	0.264	27%	0.27	S	S	.	.			trans	-75.5	140.4	172.8	-69.5	122.4	0	0	0	110.8	T66 T67 C70 F74 T92 C93	T66-H72 WeakPolarHBondContact CA-O 2.84Å; T67-H72 PolarHBondContact N-O 3.21Å; T67-H72 PolarHBondContact OG1-N 2.95Å; T67-H72 PolarHBondContact OG1-O 3.14Å; C70-H72 PolarHBondContact O-N 2.63Å; C70-H72 PolarHBondContact SG-ND1 3.43Å; C70-H72 VanDerWaalsContact SG-ND1 3.43Å; H72-F74 HydrophobicContact CB-CE2 3.7Å; H72-F74 HydrophobicContact CB-CZ 3.84Å; H72-T92 WeakPolarHBondContact NE2-CG2 3.4Å; H72-C93 VanDerWaalsContact CE1-CB 3.49Å; H72-C93 WeakPolarHBondContact CE1-CB 3.49Å; H72-C93 PolarHBondContact CE1-SG 2.94Å; H72-C93 PolarHBondContact ND1-SG 2.93Å; H72-C93 VanDerWaalsContact ND1-SG 3.39Å
73	R	98	Very high	97.1	Very high	83 Å²	83	50 Å²	50	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.3	-173.1	-65.8	179.4	179.7	81.4	-0.6	111.4	P55 L61 T64 M65 T66 Y109	P55-R73 VanDerWaalsContact CD-O 3.29Å; P55-R73 WeakPolarHBondContact CD-O 3.45Å; L61-R73 HydrophobicContact CD1-CB 3.82Å; L61-R73 HydrophobicContact CD2-CB 4.28Å; T64-R73 HydrophobicContact CG2-CB 3.9Å; T64-R73 HydrophobicContact CG2-CG 3.97Å; M65-R73 WeakPolarHBondContact O-CA 3.25Å; T66-R73 HydrophobicContact CG2-CG 4.41Å; R73-Y109 VanDerWaalsContact NE-CE2 3.29Å
74	F	98.3	Very high	97	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.7	179.3	-53.9	-81.2	0	0	0	110.8	P55 I56 L61 M65 T67 H72 I79 P91 T92	P55-F74 HydrophobicContact CB-CE1 4.11Å; P55-F74 HydrophobicContact CG-CD1 4.3Å; P55-F74 HydrophobicContact CG-CE1 3.96Å; I56-F74 HydrophobicContact CD1-CB 4.24Å; I56-F74 HydrophobicContact CD1-CD1 3.52Å; I56-F74 HydrophobicContact CD1-CE1 4.19Å; I56-F74 HydrophobicContact CD1-CG 4.08Å; I56-F74 HydrophobicContact CG1-CD1 3.77Å; I56-F74 HydrophobicContact CG1-CE1 4.19Å; L61-F74 VanDerWaalsContact CD2-CA 3.46Å; M65-F74 PolarHBondContact N-O 3.35Å; M65-F74 PolarHBondContact O-N 3.21Å; T67-F74 HydrophobicContact CG2-CD2 4.47Å; T67-F74 HydrophobicContact CG2-CE2 3.92Å; H72-F74 HydrophobicContact CB-CE2 3.7Å; H72-F74 HydrophobicContact CB-CZ 3.84Å; F74-I79 HydrophobicContact CB-CB 3.71Å; F74-I79 HydrophobicContact CB-CG1 4.42Å; F74-I79 HydrophobicContact CB-CG2 4.22Å; F74-I79 HydrophobicContact CD2-CB 4.3Å; F74-I79 HydrophobicContact CD2-CD1 3.86Å; F74-I79 HydrophobicContact CD2-CG1 4.08Å; F74-I79 HydrophobicContact CE2-CD1 4.15Å; F74-I79 HydrophobicContact CG-CB 4.13Å; F74-I79 HydrophobicContact CG-CD1 4.14Å; F74-I79 HydrophobicContact CG-CG1 4.36Å; F74-P91 HydrophobicContact CE1-CB 3.89Å; F74-P91 HydrophobicContact CE1-CG 4.05Å; F74-P91 HydrophobicContact CZ-CB 4.16Å; F74-P91 HydrophobicContact CZ-CG 4.16Å; F74-T92 VanDerWaalsContact CZ-OG1 3.29Å; F74-T92 WeakPolarHBondContact CZ-OG1 3.11Å
75	C	98	Very high	96.7	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144.8	167.9	-54.5	0	0	0	0	110.3	C54 R62 E77 C78 I79	C54-C75 VanDerWaalsContact CB-SG 3.51Å; C54-C75 PolarHBondContact SG-N 3.22Å; C54-C75 VanDerWaalsContact SG-N 3.36Å; R62-C75 PolarHBondContact N-SG 3.4Å; R62-C75 WeakPolarHBondContact O-CA 2.89Å; R62-C75 WeakPolarHBondContact O-CB 3.47Å; C75-E77 VanDerWaalsContact C-N 3.32Å; C75-E77 PolarHBondContact O-N 2.84Å; C75-C78 HydrophobicContact CB-CB 3.9Å; C75-C78 PolarHBondContact O-N 2.83Å; C75-C78 VanDerWaalsContact O-N 3.13Å; C75-I79 WeakPolarHBondContact O-CG2 3.41Å; C75-I79 PolarHBondContact O-N 2.89Å
76	Q	97.6	Very high	96.4	Very high	73 Å²	73	59.4 Å²	59.4	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-54.4	-46.8	-178.4	-174.8	173.4	27.2	0	0	113	R62 N63 M65 T80	R62-Q76 PolarHBondContact O-N 2.96Å; N63-Q76 HydrophobicContact CB-CB 3.92Å; N63-Q76 WeakPolarHBondContact O-CB 3.32Å; N63-Q76 PolarHBondContact O-N 2.81Å; N63-Q76 VanDerWaalsContact O-N 3.15Å; M65-Q76 HydrophobicContact CG-CB 3.76Å; M65-Q76 HydrophobicContact CG-CG 3.91Å; M65-Q76 HydrophobicContact SD-CB 4.49Å; M65-Q76 HydrophobicContact SD-CG 4.17Å; Q76-T80 WeakPolarHBondContact O-CB 3.29Å; Q76-T80 PolarHBondContact O-N 3.49Å; Q76-T80 VanDerWaalsContact O-N 3.11Å; Q76-T80 PolarHBondContact O-OG1 3.12Å
77	E	97.4	Very high	96.1	Very high	157 Å²	157	64.8 Å²	64.8	73%	0.734	34%	0.335	S	S	*	.	H	α-helix	trans	-66.9	-41.3	179.2	-62.2	-174.8	166.1	0	0	111.9	C75 T80 T81	C75-E77 VanDerWaalsContact C-N 3.32Å; C75-E77 PolarHBondContact O-N 2.84Å; E77-T80 PolarHBondContact O-N 3.29Å; E77-T81 VanDerWaalsContact O-CB 3.25Å; E77-T81 WeakPolarHBondContact O-CB 3.27Å; E77-T81 PolarHBondContact O-N 3.24Å; E77-T81 PolarHBondContact O-OG1 3.31Å
78	C	97.9	Very high	96	Very high	24 Å²	24	69.8 Å²	69.8	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-53.6	-179	-71.6	0	0	0	0	111.7	I56 C75 T80 T81 A82	I56-C78 HydrophobicContact CB-CB 3.87Å; I56-C78 HydrophobicContact CD1-CB 3.75Å; I56-C78 HydrophobicContact CG1-CB 4.42Å; I56-C78 HydrophobicContact CG2-CB 3.85Å; C75-C78 HydrophobicContact CB-CB 3.9Å; C75-C78 PolarHBondContact O-N 2.83Å; C75-C78 VanDerWaalsContact O-N 3.13Å; C78-T80 VanDerWaalsContact C-N 3.35Å; C78-T80 PolarHBondContact O-N 3.41Å; C78-T81 PolarHBondContact O-N 3.18Å; C78-A82 WeakPolarHBondContact O-CB 3.37Å; C78-A82 PolarHBondContact O-N 3.15Å
79	I	97.3	Very high	95.9	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.9	-33.9	-179	-168.8	60	0	0	0	112.2	I56 M65 F74 C75 T81 A82 L83 P91 L97 L103	I56-I79 HydrophobicContact CD1-CB 4.43Å; I56-I79 HydrophobicContact CD1-CD1 4.4Å; M65-I79 HydrophobicContact CB-CG2 3.81Å; M65-I79 HydrophobicContact CG-CG2 4.11Å; F74-I79 HydrophobicContact CB-CB 3.71Å; F74-I79 HydrophobicContact CB-CG1 4.42Å; F74-I79 HydrophobicContact CB-CG2 4.22Å; F74-I79 HydrophobicContact CD2-CB 4.3Å; F74-I79 HydrophobicContact CD2-CD1 3.86Å; F74-I79 HydrophobicContact CD2-CG1 4.08Å; F74-I79 HydrophobicContact CE2-CD1 4.15Å; F74-I79 HydrophobicContact CG-CB 4.13Å; F74-I79 HydrophobicContact CG-CD1 4.14Å; F74-I79 HydrophobicContact CG-CG1 4.36Å; C75-I79 WeakPolarHBondContact O-CG2 3.41Å; C75-I79 PolarHBondContact O-N 2.89Å; I79-T81 VanDerWaalsContact C-N 3.33Å; I79-A82 PolarHBondContact O-N 3.19Å; I79-L83 HydrophobicContact CD1-CG 4.37Å; I79-L83 HydrophobicContact CG1-CD1 4.29Å; I79-L83 HydrophobicContact CG1-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CB 3.45Å; I79-L83 WeakPolarHBondContact O-CG 3.25Å; I79-L83 PolarHBondContact O-N 3.21Å; I79-P91 HydrophobicContact CD1-CG 3.9Å; I79-L97 HydrophobicContact CD1-CD1 4.42Å; I79-L103 HydrophobicContact CB-CD1 4.39Å; I79-L103 HydrophobicContact CG1-CD1 3.69Å; I79-L103 HydrophobicContact CG1-CD2 4.1Å; I79-L103 HydrophobicContact CG2-CD1 3.75Å
80	T	95.9	Very high	96.1	Very high	29 Å²	29	60.2 Å²	60.2	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-40.1	176	-59	0	0	0	0	110.8	Q76 E77 C78 R84	Q76-T80 WeakPolarHBondContact O-CB 3.29Å; Q76-T80 PolarHBondContact O-N 3.49Å; Q76-T80 VanDerWaalsContact O-N 3.11Å; Q76-T80 PolarHBondContact O-OG1 3.12Å; E77-T80 PolarHBondContact O-N 3.29Å; C78-T80 VanDerWaalsContact C-N 3.35Å; C78-T80 PolarHBondContact O-N 3.41Å; T80-R84 WeakPolarHBondContact O-CB 3.2Å; T80-R84 PolarHBondContact O-N 3.32Å; T80-R84 VanDerWaalsContact O-N 3.09Å
81	T	96.2	Very high	96	Very high	71 Å²	71	61.7 Å²	61.7	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-47.2	176.4	-58.8	0	0	0	0	110.8	E77 C78 I79 L83 R84 S85	E77-T81 VanDerWaalsContact O-CB 3.25Å; E77-T81 WeakPolarHBondContact O-CB 3.27Å; E77-T81 PolarHBondContact O-N 3.24Å; E77-T81 PolarHBondContact O-OG1 3.31Å; C78-T81 PolarHBondContact O-N 3.18Å; I79-T81 VanDerWaalsContact C-N 3.33Å; T81-L83 VanDerWaalsContact C-N 3.34Å; T81-L83 PolarHBondContact O-N 3.26Å; T81-R84 WeakPolarHBondContact O-CB 3.39Å; T81-R84 PolarHBondContact O-N 3.47Å; T81-S85 PolarHBondContact O-N 3.12Å; T81-S85 PolarHBondContact O-OG 2.98Å; T81-S85 VanDerWaalsContact O-OG 3.04Å
82	A	95.8	Very high	96	Very high	27 Å²	27	60.3 Å²	60.3	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-57.3	-44.2	176.6	0	0	0	0	0	112.5	I56 C78 I79 R84 G86 P91	I56-A82 HydrophobicContact CD1-CB 4.22Å; C78-A82 WeakPolarHBondContact O-CB 3.37Å; C78-A82 PolarHBondContact O-N 3.15Å; I79-A82 PolarHBondContact O-N 3.19Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 2.97Å; A82-G86 WeakPolarHBondContact O-CA 3.49Å; A82-G86 PolarHBondContact O-N 3.44Å; A82-P91 HydrophobicContact CB-CG 4.43Å
83	L	95.4	Very high	96	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-71	-20.2	175.9	-71.2	178.6	0	0	0	113.4	I79 T81 K88 L97 L103	I79-L83 HydrophobicContact CD1-CG 4.37Å; I79-L83 HydrophobicContact CG1-CD1 4.29Å; I79-L83 HydrophobicContact CG1-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CB 3.45Å; I79-L83 WeakPolarHBondContact O-CG 3.25Å; I79-L83 PolarHBondContact O-N 3.21Å; T81-L83 VanDerWaalsContact C-N 3.34Å; T81-L83 PolarHBondContact O-N 3.26Å; L83-K88 PolarHBondContact O-NZ 2.94Å; L83-L97 HydrophobicContact CD2-CB 3.88Å; L83-L97 HydrophobicContact CD2-CD1 4.23Å; L83-L103 HydrophobicContact CD1-CD1 3.85Å; L83-L103 HydrophobicContact CD1-CG 4.45Å
84	R	94.4	Very high	95.9	Very high	176 Å²	176	65.3 Å²	65.3	66%	0.664	34%	0.342	S	S	*	.	H	α-helix	trans	-82.7	-46.1	176.6	-168.3	-174.4	-61.8	114	-5.1	111.3	T80 T81 A82	T80-R84 WeakPolarHBondContact O-CB 3.2Å; T80-R84 PolarHBondContact O-N 3.32Å; T80-R84 VanDerWaalsContact O-N 3.09Å; T81-R84 WeakPolarHBondContact O-CB 3.39Å; T81-R84 PolarHBondContact O-N 3.47Å; A82-R84 VanDerWaalsContact C-N 3.28Å; A82-R84 PolarHBondContact O-N 2.97Å
85	S	92.7	Very high	95.7	Very high	101 Å²	101	67.6 Å²	67.6	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-90.8	-19.7	-174.6	60.6	0	0	0	0	114.4	T81	T81-S85 PolarHBondContact O-N 3.12Å; T81-S85 PolarHBondContact O-OG 2.98Å; T81-S85 VanDerWaalsContact O-OG 3.04Å
86	G	89.9	Confident	95.6	Very high	34 Å²	34	75 Å²	75	35%	0.351	39%	0.389	S	S	.	.	S	Bend	trans	-122.3	-165.8	-169.9	0	0	0	0	0	115.1	A82 K88	A82-G86 WeakPolarHBondContact O-CA 3.49Å; A82-G86 PolarHBondContact O-N 3.44Å; G86-K88 PolarHBondContact O-NZ 2.85Å
87	N	92.3	Very high	95.5	Very high	114 Å²	114	71.5 Å²	71.5	61%	0.61	37%	0.373	S	S	*	.			trans	-61.1	147.8	176.7	-65.1	-14.2	0	0	0	111.1	E89	N87-E89 HydrophobicContact CB-CG 3.76Å; N87-E89 WeakPolarHBondContact CB-OE1 3.46Å; N87-E89 PolarHBondContact ND2-OE1 3.49Å; N87-E89 PolarHBondContact O-N 2.93Å
88	K	94.9	Very high	95.2	Very high	105 Å²	105	68.6 Å²	68.6	46%	0.457	37%	0.366	S	S	.	.	S	Bend	trans	-81.3	56.7	177.3	-56.6	-54.6	178.4	-119.7	0	110.7	L83 G86 L97	L83-K88 PolarHBondContact O-NZ 2.94Å; G86-K88 PolarHBondContact O-NZ 2.85Å; K88-L97 CarbonylContact C-O 3.45Å; K88-L97 WeakPolarHBondContact CB-O 3.28Å; K88-L97 CarbonylContact O-C 3.55Å; K88-L97 PolarHBondContact O-N 2.77Å
89	E	96.3	Very high	94.9	Very high	64 Å²	64	70 Å²	70	30%	0.299	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-140	159.9	-176	72.8	-169.8	159.6	0	0	111.7	N87 P91 S95	N87-E89 HydrophobicContact CB-CG 3.76Å; N87-E89 WeakPolarHBondContact CB-OE1 3.46Å; N87-E89 PolarHBondContact ND2-OE1 3.49Å; N87-E89 PolarHBondContact O-N 2.93Å; E89-P91 WeakPolarHBondContact O-CD 3.17Å; E89-S95 CarbonylContact C-O 3.48Å; E89-S95 VanDerWaalsContact CA-O 3.32Å; E89-S95 WeakPolarHBondContact CA-O 3.45Å
90	C	97.3	Very high	94.7	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.399	C	S	.	.			trans	-70.2	126.6	176	178.2	0	0	0	0	110.5	T92 C93 R94 S95 L97	C90-T92 PolarHBondContact O-N 3.29Å; C90-T92 VanDerWaalsContact O-N 3.11Å; C90-C93 VanDerWaalsContact SG-SG 3.7Å; C90-R94 VanDerWaalsContact O-CA 3.22Å; C90-R94 WeakPolarHBondContact O-CA 3.38Å; C90-R94 PolarHBondContact O-N 3.16Å; C90-S95 PolarHBondContact N-O 2.92Å; C90-L97 HydrophobicContact CB-CD1 3.94Å; C90-L97 HydrophobicContact CB-CG 4.21Å
91	P	96	Very high	94.6	Very high	62 Å²	62	84 Å²	84	40%	0.403	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.2	178.7	-28.9	37	0	0	0	114.9	I56 F74 I79 A82 E89	I56-P91 HydrophobicContact CD1-CG 4.07Å; I56-P91 HydrophobicContact CG1-CB 4.29Å; I56-P91 HydrophobicContact CG1-CG 4.31Å; F74-P91 HydrophobicContact CE1-CB 3.89Å; F74-P91 HydrophobicContact CE1-CG 4.05Å; F74-P91 HydrophobicContact CZ-CB 4.16Å; F74-P91 HydrophobicContact CZ-CG 4.16Å; I79-P91 HydrophobicContact CD1-CG 3.9Å; A82-P91 HydrophobicContact CB-CG 4.43Å; E89-P91 WeakPolarHBondContact O-CD 3.17Å
92	T	96.4	Very high	94.6	Very high	68 Å²	68	82 Å²	82	42%	0.417	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-50.2	-177.9	-48.8	0	0	0	0	112.9	H72 F74 C90	H72-T92 WeakPolarHBondContact NE2-CG2 3.4Å; F74-T92 VanDerWaalsContact CZ-OG1 3.29Å; F74-T92 WeakPolarHBondContact CZ-OG1 3.11Å; C90-T92 PolarHBondContact O-N 3.29Å; C90-T92 VanDerWaalsContact O-N 3.11Å
93	C	97.4	Very high	94.6	Very high	53 Å²	53	81.1 Å²	81.1	36%	0.358	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	2.6	-172.5	66.3	0	0	0	0	115.1	C70 H72 C90 S95	C70-C93 PolarHBondContact SG-SG 2.83Å; H72-C93 VanDerWaalsContact CE1-CB 3.49Å; H72-C93 WeakPolarHBondContact CE1-CB 3.49Å; H72-C93 PolarHBondContact CE1-SG 2.94Å; H72-C93 PolarHBondContact ND1-SG 2.93Å; H72-C93 VanDerWaalsContact ND1-SG 3.39Å; C90-C93 VanDerWaalsContact SG-SG 3.7Å; C93-S95 PolarHBondContact O-N 2.85Å; C93-S95 VanDerWaalsContact O-N 3.07Å; C93-S95 PolarHBondContact SG-OG 3.13Å
94	R	95.7	Very high	94.7	Very high	192 Å²	192	84.6 Å²	84.6	73%	0.725	42%	0.421	S	S	*	.			trans	60	14.3	-179.9	-53.8	-175.4	-176.2	178.1	-0.6	115.8	C90	C90-R94 VanDerWaalsContact O-CA 3.22Å; C90-R94 WeakPolarHBondContact O-CA 3.38Å; C90-R94 PolarHBondContact O-N 3.16Å
95	S	95	Very high	94.9	Very high	47 Å²	47	80.6 Å²	80.6	33%	0.329	42%	0.418	S	S	.	.			trans	-62.2	142.2	169.7	-55.5	0	0	0	0	110.8	E89 C90 C93 L97	E89-S95 CarbonylContact C-O 3.48Å; E89-S95 VanDerWaalsContact CA-O 3.32Å; E89-S95 WeakPolarHBondContact CA-O 3.45Å; C90-S95 PolarHBondContact N-O 2.92Å; C93-S95 PolarHBondContact O-N 2.85Å; C93-S95 VanDerWaalsContact O-N 3.07Å; C93-S95 PolarHBondContact SG-OG 3.13Å; S95-L97 PolarHBondContact O-N 2.98Å
96	K	95.8	Very high	95.1	Very high	163 Å²	163	76.4 Å²	76.4	71%	0.709	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-61.8	126.7	-174.8	-170.9	174.7	-177	176.4	0	112.3	V98	K96-V98 HydrophobicContact CG-CG2 4.41Å
97	L	95.3	Very high	95.5	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	40%	0.399	C	S	.	.			trans	-121.2	90.6	174.7	-65.8	-177.7	0	0	0	109.5	T67 I79 L83 K88 C90 S95 S99 L103	T67-L97 HydrophobicContact CG2-CD1 3.76Å; T67-L97 HydrophobicContact CG2-CD2 3.87Å; T67-L97 HydrophobicContact CG2-CG 4.45Å; I79-L97 HydrophobicContact CD1-CD1 4.42Å; L83-L97 HydrophobicContact CD2-CB 3.88Å; L83-L97 HydrophobicContact CD2-CD1 4.23Å; K88-L97 CarbonylContact C-O 3.45Å; K88-L97 WeakPolarHBondContact CB-O 3.28Å; K88-L97 CarbonylContact O-C 3.55Å; K88-L97 PolarHBondContact O-N 2.77Å; C90-L97 HydrophobicContact CB-CD1 3.94Å; C90-L97 HydrophobicContact CB-CG 4.21Å; S95-L97 PolarHBondContact O-N 2.98Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.3Å; L97-L103 HydrophobicContact CD1-CD2 4.3Å
98	V	92	Very high	95.7	Very high	96 Å²	96	79.9 Å²	79.9	58%	0.582	40%	0.403	S	S	*	.			trans	-57.3	-39.8	-173.3	-178.4	0	0	0	0	112.2	K96 S102	K96-V98 HydrophobicContact CG-CG2 4.41Å; V98-S102 PolarHBondContact N-OG 3.12Å
99	S	91.9	Very high	95.8	Very high	52 Å²	52	76.4 Å²	76.4	36%	0.364	39%	0.387	S	S	.	.	S	Bend	trans	-164.2	-175.7	179	68.9	0	0	0	0	111.5	L97 R101 S102	L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.3Å; S99-R101 PolarHBondContact O-N 2.86Å; S99-R101 WeakPolarHBondContact OG-CB 2.84Å; S99-R101 PolarHBondContact OG-N 3.25Å; S99-S102 WeakPolarHBondContact O-CB 3.21Å; S99-S102 PolarHBondContact O-N 2.79Å
100	K	92.2	Very high	95.7	Very high	115 Å²	115	75 Å²	75	50%	0.5	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-53.9	-22.8	170.3	-168.3	174.9	-179.3	178.1	0	113.4	S102 L103	K100-S102 PolarHBondContact O-N 2.91Å; K100-L103 WeakPolarHBondContact O-CB 3.2Å; K100-L103 PolarHBondContact O-N 2.67Å; K100-L103 VanDerWaalsContact O-N 3.1Å
101	R	94.5	Very high	95.6	Very high	209 Å²	209	76.5 Å²	76.5	79%	0.789	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-67	-21.3	175.9	-174.5	178.1	-73.2	-109.7	1.1	113.4	K68 S99 L103	K68-R101 WeakPolarHBondContact CE-O 3.31Å; K68-R101 PolarHBondContact NZ-O 2.79Å; S99-R101 PolarHBondContact O-N 2.86Å; S99-R101 WeakPolarHBondContact OG-CB 2.84Å; S99-R101 PolarHBondContact OG-N 3.25Å; R101-L103 PolarHBondContact O-N 3.28Å
102	S	95.3	Very high	95.5	Very high	28 Å²	28	77.5 Å²	77.5	20%	0.196	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-77.6	-0.3	173.4	-56.7	0	0	0	0	113	K68 V98 S99 K100	K68-S102 PolarHBondContact N-O 3.49Å; V98-S102 PolarHBondContact N-OG 3.12Å; S99-S102 WeakPolarHBondContact O-CB 3.21Å; S99-S102 PolarHBondContact O-N 2.79Å; K100-S102 PolarHBondContact O-N 2.91Å
103	L	97	Very high	95.3	Very high	9 Å²	9	74.9 Å²	74.9	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	158.8	177.1	-52	173.9	0	0	0	110.7	M65 T66 T67 I79 L83 L97 K100 R101	M65-L103 HydrophobicContact CE-CB 3.59Å; M65-L103 HydrophobicContact CE-CD1 4.27Å; T66-L103 CarbonylContact O-C 3.57Å; T66-L103 WeakPolarHBondContact O-CA 3.17Å; T67-L103 HydrophobicContact CG2-CD2 3.64Å; I79-L103 HydrophobicContact CB-CD1 4.39Å; I79-L103 HydrophobicContact CG1-CD1 3.69Å; I79-L103 HydrophobicContact CG1-CD2 4.1Å; I79-L103 HydrophobicContact CG2-CD1 3.75Å; L83-L103 HydrophobicContact CD1-CD1 3.85Å; L83-L103 HydrophobicContact CD1-CG 4.45Å; L97-L103 HydrophobicContact CD1-CD2 4.3Å; K100-L103 WeakPolarHBondContact O-CB 3.2Å; K100-L103 PolarHBondContact O-N 2.67Å; K100-L103 VanDerWaalsContact O-N 3.1Å; R101-L103 PolarHBondContact O-N 3.28Å
104	R	97.2	Very high	95.1	Very high	88 Å²	88	75.9 Å²	75.9	33%	0.332	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.8	168.3	62.7	176.6	-177.8	77.8	0.5	110	M65 T66 D106	M65-R104 WeakPolarHBondContact CA-O 3.5Å; T66-R104 PolarHBondContact N-O 3.17Å; T66-R104 PolarHBondContact O-N 3Å; R104-D106 IonicContact CZ-OD2 2.69Å; R104-D106 IonicContact NH1-OD1 3.23Å; R104-D106 IonicContact NH1-OD2 3.7Å; R104-D106 PolarHBondContact NH1-OD2 3Å; R104-D106 IonicContact NH2-OD2 3.06Å; R104-D106 PolarHBondContact NH2-OD2 3.22Å
105	P	97.9	Very high	94.8	Very high	92 Å²	92	77.1 Å²	77.1	60%	0.597	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	150.7	166.4	28.9	-33.2	0	0	0	110.4	T64 M65	T64-P105 WeakPolarHBondContact O-CA 3.4Å; M65-P105 HydrophobicContact SD-CB 4.07Å
106	D	97.8	Very high	94.6	Very high	13 Å²	13	77.2 Å²	77.2	7%	0.07	39%	0.39	C	S	.	.			trans	-128.1	72.9	-179.9	-154.3	-33.8	0	0	0	111.5	T64 T66 R104 N108 Y109 D110	T64-D106 HydrophobicContact CG2-CB 4.11Å; T64-D106 PolarHBondContact O-N 3.22Å; T66-D106 WeakPolarHBondContact OG1-CB 3.4Å; T66-D106 PolarHBondContact OG1-OD2 3.04Å; R104-D106 IonicContact CZ-OD2 2.69Å; R104-D106 IonicContact NH1-OD1 3.23Å; R104-D106 IonicContact NH1-OD2 3.7Å; R104-D106 PolarHBondContact NH1-OD2 3Å; R104-D106 IonicContact NH2-OD2 3.06Å; R104-D106 PolarHBondContact NH2-OD2 3.22Å; D106-N108 PolarHBondContact O-N 3.3Å; D106-Y109 PolarHBondContact O-N 3.41Å; D106-Y109 VanDerWaalsContact O-N 3.11Å; D106-Y109 PolarHBondContact OD1-N 3.26Å; D106-D110 PolarHBondContact O-N 3.03Å
107	P	97.5	Very high	94.2	Very high	92 Å²	92	71 Å²	71	60%	0.597	36%	0.363	S	S	*	.	H	α-helix	trans	-65	-24.8	-177.1	27.2	-35.4	0	0	0	112.8	Y109 D110 G111	P107-Y109 VanDerWaalsContact C-N 3.33Å; P107-D110 PolarHBondContact O-N 2.97Å; P107-G111 PolarHBondContact O-N 2.92Å
108	N	97	Very high	93.7	Very high	130 Å²	130	76.4 Å²	76.4	70%	0.695	40%	0.397	S	S	*	.	H	α-helix	trans	-65.2	-41.2	174.8	-70.9	-14.7	0	0	0	110.7	D106 G111 I112	D106-N108 PolarHBondContact O-N 3.3Å; N108-G111 PolarHBondContact O-N 3.42Å; N108-I112 WeakPolarHBondContact O-CG1 3.44Å; N108-I112 PolarHBondContact O-N 3.36Å
109	Y	96.1	Very high	93.3	Very high	31 Å²	31	75.6 Å²	75.6	12%	0.122	39%	0.39	C	S	.	.	H	α-helix	trans	-68	-41.5	177.6	-152.5	-97.9	0	0	0	112.1	E51 L52 L61 T64 R73 D106 P107 G111 I112 I113	E51-Y109 PolarHBondContact O-OH 2.99Å; L52-Y109 HydrophobicContact CD2-CE1 3.88Å; L52-Y109 WeakPolarHBondContact CD2-OH 3.41Å; L61-Y109 HydrophobicContact CD1-CD1 4.13Å; L61-Y109 HydrophobicContact CD1-CE1 3.66Å; T64-Y109 HydrophobicContact CG2-CD1 4.09Å; T64-Y109 HydrophobicContact CG2-CG 4.49Å; R73-Y109 VanDerWaalsContact NE-CE2 3.29Å; D106-Y109 PolarHBondContact O-N 3.41Å; D106-Y109 VanDerWaalsContact O-N 3.11Å; D106-Y109 PolarHBondContact OD1-N 3.26Å; P107-Y109 VanDerWaalsContact C-N 3.33Å; Y109-G111 PolarHBondContact O-N 2.87Å; Y109-I112 WeakPolarHBondContact O-CB 3.42Å; Y109-I112 PolarHBondContact O-N 2.97Å; Y109-I112 VanDerWaalsContact O-N 3.15Å; Y109-I113 HydrophobicContact CD1-CD1 3.82Å; Y109-I113 HydrophobicContact CD1-CG1 4.36Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 4.44Å; Y109-I113 WeakPolarHBondContact O-CG1 3.17Å; Y109-I113 PolarHBondContact O-N 3.16Å
110	D	95.5	Very high	92.8	Very high	36 Å²	36	75.7 Å²	75.7	19%	0.193	38%	0.382	C	S	.	.	H	α-helix	trans	-60.4	-36.4	172.4	-68.4	-28.5	0	0	0	111.7	N63 T64 D106 P107 I113 S114	N63-D110 WeakPolarHBondContact CA-OD2 3.2Å; T64-D110 WeakPolarHBondContact CB-OD1 3.44Å; T64-D110 VanDerWaalsContact N-CG 3.35Å; T64-D110 PolarHBondContact N-OD1 3.39Å; T64-D110 PolarHBondContact N-OD2 2.73Å; T64-D110 PolarHBondContact OG1-OD1 2.88Å; D106-D110 PolarHBondContact O-N 3.03Å; P107-D110 PolarHBondContact O-N 2.97Å; D110-I113 PolarHBondContact O-N 2.85Å; D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 2.8Å; D110-S114 PolarHBondContact O-OG 3.3Å
111	G	95	Very high	92.3	Very high	31 Å²	31	77 Å²	77	32%	0.32	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-37.7	173.8	0	0	0	0	0	113.7	P107 N108 Y109 S114 R115	P107-G111 PolarHBondContact O-N 2.92Å; N108-G111 PolarHBondContact O-N 3.42Å; Y109-G111 PolarHBondContact O-N 2.87Å; G111-S114 PolarHBondContact O-N 2.87Å; G111-R115 WeakPolarHBondContact O-CG 3.4Å; G111-R115 PolarHBondContact O-N 2.78Å; G111-R115 VanDerWaalsContact O-N 3.12Å
112	I	93	Very high	91.8	Very high	82 Å²	82	72.9 Å²	72.9	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-47.7	173.3	-68.1	166.3	0	0	0	110	N108 Y109 S114 R115 I116	N108-I112 WeakPolarHBondContact O-CG1 3.44Å; N108-I112 PolarHBondContact O-N 3.36Å; Y109-I112 WeakPolarHBondContact O-CB 3.42Å; Y109-I112 PolarHBondContact O-N 2.97Å; Y109-I112 VanDerWaalsContact O-N 3.15Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 2.8Å; I112-R115 PolarHBondContact O-N 3.22Å; I112-R115 VanDerWaalsContact O-N 3.14Å; I112-I116 HydrophobicContact CG2-CD1 3.6Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.25Å; I112-I116 PolarHBondContact O-N 3.33Å
113	I	92.7	Very high	91.1	Very high	13 Å²	13	72.4 Å²	72.4	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-56.9	-46.1	177.4	-67.7	165.8	0	0	0	110.5	L52 M60 L61 Y109 D110 R115 I116 Y117	L52-I113 HydrophobicContact CD2-CG1 3.95Å; M60-I113 HydrophobicContact CG-CG2 4.01Å; M60-I113 HydrophobicContact SD-CG1 4.44Å; M60-I113 HydrophobicContact SD-CG2 3.87Å; L61-I113 HydrophobicContact CB-CD1 3.76Å; Y109-I113 HydrophobicContact CD1-CD1 3.82Å; Y109-I113 HydrophobicContact CD1-CG1 4.36Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 4.44Å; Y109-I113 WeakPolarHBondContact O-CG1 3.17Å; Y109-I113 PolarHBondContact O-N 3.16Å; D110-I113 PolarHBondContact O-N 2.85Å; I113-R115 VanDerWaalsContact C-N 3.27Å; I113-R115 PolarHBondContact O-N 3.5Å; I113-I116 PolarHBondContact O-N 3.03Å; I113-Y117 PolarHBondContact O-N 2.82Å
114	S	92	Very high	90.5	Very high	75 Å²	75	73.3 Å²	73.3	52%	0.524	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-26.6	-179.1	-53.6	0	0	0	0	113.4	D110 G111 I112 P118	D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 2.8Å; D110-S114 PolarHBondContact O-OG 3.3Å; G111-S114 PolarHBondContact O-N 2.87Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 2.8Å; S114-P118 VanDerWaalsContact O-CA 3.29Å; S114-P118 WeakPolarHBondContact O-CA 3.45Å
115	R	90.8	Very high	89.9	Confident	217 Å²	217	74.5 Å²	74.5	82%	0.819	39%	0.388	S	S	*	.	H	α-helix	trans	-79.3	-36.7	175	-74.6	177.3	-176.2	-177.5	1.2	112.5	G111 I112 I113	G111-R115 WeakPolarHBondContact O-CG 3.4Å; G111-R115 PolarHBondContact O-N 2.78Å; G111-R115 VanDerWaalsContact O-N 3.12Å; I112-R115 PolarHBondContact O-N 3.22Å; I112-R115 VanDerWaalsContact O-N 3.14Å; I113-R115 VanDerWaalsContact C-N 3.27Å; I113-R115 PolarHBondContact O-N 3.5Å
116	I	89.4	Confident	89.1	Confident	49 Å²	49	74.2 Å²	74.2	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-77.1	-40.7	179.9	-62.4	168.6	0	0	0	110.5	L43 L48 L52 I112 I113 P118	L43-I116 HydrophobicContact CD1-CG2 4.11Å; L48-I116 HydrophobicContact CD1-CD1 3.75Å; L48-I116 HydrophobicContact CD1-CG2 4.32Å; L52-I116 HydrophobicContact CD1-CD1 4.3Å; I112-I116 HydrophobicContact CG2-CD1 3.6Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.25Å; I112-I116 PolarHBondContact O-N 3.33Å; I113-I116 PolarHBondContact O-N 3.03Å; I116-P118 WeakPolarHBondContact O-CD 3.39Å
117	Y	87.7	Confident	88.4	Confident	33 Å²	33	76.9 Å²	76.9	13%	0.129	39%	0.392	C	S	.	.			trans	-123.5	81	177.9	-61.3	-76.7	0	0	0	110.1	P45 L52 M60 I113 N119 Y123	P45-Y117 WeakPolarHBondContact CA-OH 3.38Å; P45-Y117 PolarHBondContact O-OH 3.28Å; P45-Y117 VanDerWaalsContact O-OH 3.14Å; L52-Y117 HydrophobicContact CD1-CD2 4.26Å; L52-Y117 HydrophobicContact CD1-CE2 3.73Å; M60-Y117 HydrophobicContact CE-CD2 3.52Å; M60-Y117 HydrophobicContact CE-CE2 3.39Å; M60-Y117 HydrophobicContact CE-CG 4.3Å; M60-Y117 HydrophobicContact SD-CD2 4.32Å; M60-Y117 HydrophobicContact SD-CE2 4.49Å; I113-Y117 PolarHBondContact O-N 2.82Å; Y117-N119 VanDerWaalsContact C-N 3.3Å; Y117-N119 PolarHBondContact O-N 2.67Å; Y117-Y123 AromaticContact CD1-CD2 3.7Å; Y117-Y123 HydrophobicContact CD1-CD2 3.7Å; Y117-Y123 HydrophobicContact CD1-CE2 4.2Å; Y117-Y123 HydrophobicContact CD1-CG 4.34Å; Y117-Y123 AromaticContact CE1-CD2 3.56Å; Y117-Y123 HydrophobicContact CE1-CD2 3.56Å; Y117-Y123 AromaticContact CE1-CE2 3.64Å; Y117-Y123 HydrophobicContact CE1-CE2 3.64Å; Y117-Y123 AromaticContact CZ-CE2 3.97Å
118	P	85.9	Confident	87.7	Confident	113 Å²	113	78.1 Å²	78.1	73%	0.734	39%	0.39	S	S	*	.	S	Bend	trans	-61.5	-37.6	-179.2	-23.6	34.3	0	0	0	113.1	S114 I116	S114-P118 VanDerWaalsContact O-CA 3.29Å; S114-P118 WeakPolarHBondContact O-CA 3.45Å; I116-P118 WeakPolarHBondContact O-CD 3.39Å
119	N	83.8	Confident	87.2	Confident	79 Å²	79	80.3 Å²	80.3	42%	0.422	39%	0.388	S	S	.	.			trans	-111.2	97	177.8	-166.5	-4.8	0	0	0	110.3	Y117 E121 E122 Y123	Y117-N119 VanDerWaalsContact C-N 3.3Å; Y117-N119 PolarHBondContact O-N 2.67Å; N119-E121 PolarHBondContact OD1-N 3.2Å; N119-E122 HydrophobicContact CB-CB 4.12Å; N119-Y123 PolarHBondContact O-N 3.37Å
120	R	80.9	Confident	86.5	Confident	55 Å²	55	81.5 Å²	81.5	21%	0.208	41%	0.405	C	S	.	.	H	α-helix	trans	-71.3	-34.5	-179.2	-172.5	179.9	176.1	129.4	2.3	112.5	D59 M60 L61 R62 E122 Y123 D124	D59-R120 IonicContact OD1-NH2 3.75Å; D59-R120 IonicContact OD2-NH2 2.91Å; D59-R120 PolarHBondContact OD2-NH2 3.47Å; M60-R120 PolarHBondContact O-NH1 3.44Å; M60-R120 PolarHBondContact O-NH2 3.43Å; L61-R120 PolarHBondContact O-NH1 3.18Å; R62-R120 VanDerWaalsContact CG-CZ 3.43Å; R120-E122 VanDerWaalsContact C-N 3.27Å; R120-E122 PolarHBondContact O-N 3.48Å; R120-Y123 WeakPolarHBondContact O-CB 3.15Å; R120-Y123 PolarHBondContact O-N 3.49Å; R120-Y123 VanDerWaalsContact O-N 3.08Å; R120-D124 IonicContact NE-OD1 2.82Å; R120-D124 IonicContact NE-OD2 3.32Å; R120-D124 PolarHBondContact O-N 3.33Å
121	E	82.5	Confident	85.8	Confident	142 Å²	142	85.4 Å²	85.4	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-60.5	-42.5	180	-64.4	179.6	174.8	0	0	110.5	N119 Y123 D124 E125	N119-E121 PolarHBondContact OD1-N 3.2Å; E121-Y123 VanDerWaalsContact C-N 3.31Å; E121-Y123 PolarHBondContact O-N 2.94Å; E121-D124 PolarHBondContact O-N 3.01Å; E121-E125 WeakPolarHBondContact O-CB 3.43Å; E121-E125 VanDerWaalsContact O-CG 3.31Å; E121-E125 WeakPolarHBondContact O-CG 3.49Å; E121-E125 PolarHBondContact O-N 2.85Å
122	E	82.8	Confident	85.1	Confident	123 Å²	123	88.9 Å²	88.9	58%	0.575	44%	0.436	S	S	*	.	H	α-helix	trans	-61.7	-38.3	174.8	-173.4	178.5	176.2	0	0	112.5	N119 R120 M126	N119-E122 HydrophobicContact CB-CB 4.12Å; R120-E122 VanDerWaalsContact C-N 3.27Å; R120-E122 PolarHBondContact O-N 3.48Å; E122-M126 VanDerWaalsContact O-CB 3.29Å; E122-M126 WeakPolarHBondContact O-CB 3.2Å; E122-M126 PolarHBondContact O-N 2.81Å
123	Y	80.8	Confident	84.4	Confident	17 Å²	17	89 Å²	89	7%	0.067	43%	0.431	C	S	.	.	H	α-helix	trans	-65.7	-48.7	174.5	-178.8	-93.2	0	0	0	111.9	P45 M60 Y117 N119 R120 E121 E125 M126 Q127	P45-Y123 HydrophobicContact CB-CE2 4.07Å; M60-Y123 HydrophobicContact CE-CE1 4.05Å; M60-Y123 HydrophobicContact CE-CE2 4.45Å; Y117-Y123 AromaticContact CD1-CD2 3.7Å; Y117-Y123 HydrophobicContact CD1-CD2 3.7Å; Y117-Y123 HydrophobicContact CD1-CE2 4.2Å; Y117-Y123 HydrophobicContact CD1-CG 4.34Å; Y117-Y123 AromaticContact CE1-CD2 3.56Å; Y117-Y123 HydrophobicContact CE1-CD2 3.56Å; Y117-Y123 AromaticContact CE1-CE2 3.64Å; Y117-Y123 HydrophobicContact CE1-CE2 3.64Å; Y117-Y123 AromaticContact CZ-CE2 3.97Å; N119-Y123 PolarHBondContact O-N 3.37Å; R120-Y123 WeakPolarHBondContact O-CB 3.15Å; R120-Y123 PolarHBondContact O-N 3.49Å; R120-Y123 VanDerWaalsContact O-N 3.08Å; E121-Y123 VanDerWaalsContact C-N 3.31Å; E121-Y123 PolarHBondContact O-N 2.94Å; Y123-E125 VanDerWaalsContact C-N 3.32Å; Y123-E125 PolarHBondContact O-N 3.03Å; Y123-M126 HydrophobicContact CD2-CE 4Å; Y123-M126 PolarHBondContact O-N 3.11Å; Y123-Q127 HydrophobicContact CD1-CG 4.31Å; Y123-Q127 HydrophobicContact CE1-CG 3.93Å; Y123-Q127 VanDerWaalsContact CZ-NE2 3.29Å; Y123-Q127 WeakPolarHBondContact O-CG 3.49Å; Y123-Q127 PolarHBondContact O-N 3.01Å; Y123-Q127 PolarHBondContact OH-NE2 3.14Å
124	D	83.4	Confident	83.4	Confident	29 Å²	29	93.9 Å²	93.9	16%	0.155	46%	0.457	C	S	.	.	H	α-helix	trans	-61.1	-42	179	-69.7	1.8	0	0	0	110	R62 R120 E121 Q127 Q128	R62-D124 IonicContact NH2-OD2 3.25Å; R62-D124 PolarHBondContact NH2-OD2 2.8Å; R120-D124 IonicContact NE-OD1 2.82Å; R120-D124 IonicContact NE-OD2 3.32Å; R120-D124 PolarHBondContact O-N 3.33Å; E121-D124 PolarHBondContact O-N 3.01Å; D124-Q127 PolarHBondContact O-N 3.26Å; D124-Q128 WeakPolarHBondContact O-CB 3.43Å; D124-Q128 VanDerWaalsContact O-CG 3.29Å; D124-Q128 WeakPolarHBondContact O-CG 3.44Å; D124-Q128 PolarHBondContact O-N 3.07Å
125	E	85.6	Confident	82.5	Confident	112 Å²	112	93.5 Å²	93.5	52%	0.523	45%	0.454	S	S	.	.	H	α-helix	trans	-63.6	-43.3	175	-77.4	-177.3	-173.5	0	0	112.9	E121 Y123 Q127 Q128 R129	E121-E125 WeakPolarHBondContact O-CB 3.43Å; E121-E125 VanDerWaalsContact O-CG 3.31Å; E121-E125 WeakPolarHBondContact O-CG 3.49Å; E121-E125 PolarHBondContact O-N 2.85Å; Y123-E125 VanDerWaalsContact C-N 3.32Å; Y123-E125 PolarHBondContact O-N 3.03Å; E125-Q127 VanDerWaalsContact C-N 3.32Å; E125-Q127 PolarHBondContact O-N 3.49Å; E125-Q128 PolarHBondContact O-N 2.89Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 PolarHBondContact O-N 2.77Å
126	M	81.7	Confident	81.4	Confident	87 Å²	87	90 Å²	90	43%	0.429	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.5	173.6	174.2	40	0	0	111.2	P45 E122 Y123 R129 A130	P45-M126 HydrophobicContact CB-CE 4.41Å; P45-M126 HydrophobicContact CG-CE 4.16Å; E122-M126 VanDerWaalsContact O-CB 3.29Å; E122-M126 WeakPolarHBondContact O-CB 3.2Å; E122-M126 PolarHBondContact O-N 2.81Å; Y123-M126 HydrophobicContact CD2-CE 4Å; Y123-M126 PolarHBondContact O-N 3.11Å; M126-R129 PolarHBondContact O-N 3.34Å; M126-A130 PolarHBondContact O-N 3.1Å
127	Q	81.4	Confident	80	Confident	69 Å²	69	92.4 Å²	92.4	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-46	174.6	-72.6	-168.5	-30.6	0	0	111.9	Y123 D124 E125 R129 A130 L131	Y123-Q127 HydrophobicContact CD1-CG 4.31Å; Y123-Q127 HydrophobicContact CE1-CG 3.93Å; Y123-Q127 VanDerWaalsContact CZ-NE2 3.29Å; Y123-Q127 WeakPolarHBondContact O-CG 3.49Å; Y123-Q127 PolarHBondContact O-N 3.01Å; Y123-Q127 PolarHBondContact OH-NE2 3.14Å; D124-Q127 PolarHBondContact O-N 3.26Å; E125-Q127 VanDerWaalsContact C-N 3.32Å; E125-Q127 PolarHBondContact O-N 3.49Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.07Å; Q127-A130 WeakPolarHBondContact O-CB 3.26Å; Q127-A130 PolarHBondContact O-N 2.84Å; Q127-A130 VanDerWaalsContact O-N 3.16Å; Q127-L131 WeakPolarHBondContact O-CG 3.19Å; Q127-L131 PolarHBondContact O-N 3.2Å
128	Q	84.4	Confident	78.8	Confident	118 Å²	118	96.7 Å²	96.7	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-59.6	-42.6	176.3	-75	175.7	31	0	0	111.6	D124 E125 A130 L131 L132	D124-Q128 WeakPolarHBondContact O-CB 3.43Å; D124-Q128 VanDerWaalsContact O-CG 3.29Å; D124-Q128 WeakPolarHBondContact O-CG 3.44Å; D124-Q128 PolarHBondContact O-N 3.07Å; E125-Q128 PolarHBondContact O-N 2.89Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 3.41Å; Q128-L131 PolarHBondContact O-N 3.21Å; Q128-L132 WeakPolarHBondContact O-CB 3.14Å; Q128-L132 VanDerWaalsContact O-CG 3.29Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.5Å
129	R	85.9	Confident	77.7	Confident	175 Å²	175	93.8 Å²	93.8	66%	0.66	46%	0.457	S	S	*	.	H	α-helix	trans	-60.9	-41.7	175.6	-174.3	178.6	-70.4	145.3	1.9	111.7	E125 M126 Q127 R133	E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 PolarHBondContact O-N 2.77Å; M126-R129 PolarHBondContact O-N 3.34Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.07Å; R129-R133 VanDerWaalsContact O-CB 3.3Å; R129-R133 WeakPolarHBondContact O-CB 3.02Å; R129-R133 PolarHBondContact O-N 3.35Å
130	A	81.8	Confident	77	Confident	57 Å²	57	94.1 Å²	94.1	47%	0.471	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-41	175.8	0	0	0	0	0	112.3	M126 Q127 Q128 R133 L134	M126-A130 PolarHBondContact O-N 3.1Å; Q127-A130 WeakPolarHBondContact O-CB 3.26Å; Q127-A130 PolarHBondContact O-N 2.84Å; Q127-A130 VanDerWaalsContact O-N 3.16Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 3.41Å; A130-R133 WeakPolarHBondContact O-CB 3.47Å; A130-R133 PolarHBondContact O-N 3.39Å; A130-L134 PolarHBondContact O-N 2.82Å
131	L	80.5	Confident	76.4	Confident	117 Å²	117	97 Å²	97	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-65.2	-45.9	175.3	-73.2	171.4	0	0	0	112	Q127 Q128 R133 L134 S135	Q127-L131 WeakPolarHBondContact O-CG 3.19Å; Q127-L131 PolarHBondContact O-N 3.2Å; Q128-L131 PolarHBondContact O-N 3.21Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.18Å; L131-L134 PolarHBondContact O-N 3.46Å; L131-L134 VanDerWaalsContact O-N 3.13Å; L131-S135 PolarHBondContact O-N 3.21Å
132	L	81.2	Confident	75.7	Confident	105 Å²	105	92.8 Å²	92.8	55%	0.55	46%	0.464	S	S	.	.	H	α-helix	trans	-58.1	-45	175.4	-75	172.4	0	0	0	110.8	Q128 L134 S135 Q136	Q128-L132 WeakPolarHBondContact O-CB 3.14Å; Q128-L132 VanDerWaalsContact O-CG 3.29Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.5Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 3.22Å; L132-S135 WeakPolarHBondContact CA-OG 3.43Å; L132-S135 PolarHBondContact O-N 2.87Å; L132-S135 PolarHBondContact O-OG 3.04Å; L132-Q136 WeakPolarHBondContact O-CG 3.47Å; L132-Q136 PolarHBondContact O-N 3.46Å
133	R	76.4	Confident	75.2	Confident	83 Å²	83	91.6 Å²	91.6	31%	0.313	46%	0.461	S	S	.	.	H	α-helix	trans	-58.6	-43.9	175.3	-172.1	-172.9	-160.5	150.9	31.9	112.1	R129 A130 L131 Q136 Y137 L279	R129-R133 VanDerWaalsContact O-CB 3.3Å; R129-R133 WeakPolarHBondContact O-CB 3.02Å; R129-R133 PolarHBondContact O-N 3.35Å; A130-R133 WeakPolarHBondContact O-CB 3.47Å; A130-R133 PolarHBondContact O-N 3.39Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.18Å; R133-Q136 PolarHBondContact O-N 3.02Å; R133-Y137 HydrophobicContact CG-CE2 4.19Å; R133-Y137 WeakPolarHBondContact O-CD2 3.23Å; R133-L279 PolarHBondContact NH2-O 3.33Å
134	L	72.5	Confident	75.1	Confident	117 Å²	117	96 Å²	96	61%	0.613	48%	0.482	S	S	*	.	H	α-helix	trans	-66	-40.2	177	-174.7	61	0	0	0	111.6	A130 L131 L132 Q136 Y137 H138	A130-L134 PolarHBondContact O-N 2.82Å; L131-L134 PolarHBondContact O-N 3.46Å; L131-L134 VanDerWaalsContact O-N 3.13Å; L132-L134 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 3.22Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.47Å; L134-Y137 PolarHBondContact O-N 3.43Å; L134-H138 PolarHBondContact O-N 2.86Å; L134-H138 VanDerWaalsContact O-N 3.1Å
135	S	73.6	Confident	74.8	Confident	67 Å²	67	100.8 Å²	100.8	47%	0.469	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-30.2	177.6	76.8	0	0	0	0	113.1	L131 L132 Y137 H138	L131-S135 PolarHBondContact O-N 3.21Å; L132-S135 WeakPolarHBondContact CA-OG 3.43Å; L132-S135 PolarHBondContact O-N 2.87Å; L132-S135 PolarHBondContact O-OG 3.04Å; S135-Y137 VanDerWaalsContact C-N 3.3Å; S135-Y137 PolarHBondContact O-N 3.37Å; S135-H138 CarbonylContact O-C 3.55Å; S135-H138 PolarHBondContact O-N 2.88Å
136	Q	67	Low	74.4	Confident	144 Å²	144	100.1 Å²	100.1	67%	0.673	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-33.5	175.4	-72.5	173.4	18.2	0	0	112.8	L132 R133 L134	L132-Q136 WeakPolarHBondContact O-CG 3.47Å; L132-Q136 PolarHBondContact O-N 3.46Å; R133-Q136 PolarHBondContact O-N 3.02Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.47Å
137	Y	60.8	Low	74.4	Confident	99 Å²	99	100.4 Å²	100.4	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-87.2	-26	177.8	-63.7	-75.3	0	0	0	112.7	R133 L134 S135 S139 A281 I284	R133-Y137 HydrophobicContact CG-CE2 4.19Å; R133-Y137 WeakPolarHBondContact O-CD2 3.23Å; L134-Y137 PolarHBondContact O-N 3.43Å; S135-Y137 VanDerWaalsContact C-N 3.3Å; S135-Y137 PolarHBondContact O-N 3.37Å; Y137-S139 PolarHBondContact O-N 3.19Å; Y137-A281 HydrophobicContact CE1-CB 3.7Å; Y137-A281 VanDerWaalsContact OH-CA 3.31Å; Y137-A281 WeakPolarHBondContact OH-CA 3.29Å; Y137-A281 WeakPolarHBondContact OH-CB 3.41Å; Y137-A281 PolarHBondContact OH-N 2.81Å; Y137-I284 HydrophobicContact CE1-CD1 4.33Å
138	H	61.7	Low	74.6	Confident	123 Å²	123	101.2 Å²	101.2	57%	0.569	50%	0.504	S	S	*	.	S	Bend	trans	-88.3	87.7	175.4	-153.1	-80.4	0	0	0	108.9	L134 S135 T140	L134-H138 PolarHBondContact O-N 2.86Å; L134-H138 VanDerWaalsContact O-N 3.1Å; S135-H138 CarbonylContact O-C 3.55Å; S135-H138 PolarHBondContact O-N 2.88Å; H138-T140 PolarHBondContact O-N 2.89Å
139	S	63.3	Low	74.5	Confident	52 Å²	52	101.3 Å²	101.3	36%	0.364	51%	0.505	S	S	.	.			trans	-63.9	65.2	179.2	171.6	0	0	0	0	112.6	Y137 E141 S142 L143	Y137-S139 PolarHBondContact O-N 3.19Å; S139-E141 PolarHBondContact O-N 2.82Å; S139-S142 PolarHBondContact O-N 3.25Å; S139-S142 VanDerWaalsContact OG-CA 3.31Å; S139-S142 WeakPolarHBondContact OG-CA 3.39Å; S139-S142 WeakPolarHBondContact OG-CB 3.45Å; S139-S142 PolarHBondContact OG-N 2.82Å; S139-S142 PolarHBondContact OG-OG 3.42Å; S139-L143 WeakPolarHBondContact O-CB 3.15Å; S139-L143 PolarHBondContact O-N 3.36Å
140	T	69.5	Low	74.3	Confident	85 Å²	85	94 Å²	94	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-55.1	-39.2	168.4	52.1	0	0	0	0	109.2	H138 L143 Q144	H138-T140 PolarHBondContact O-N 2.89Å; T140-L143 PolarHBondContact O-N 3.23Å; T140-Q144 WeakPolarHBondContact O-CB 3.43Å; T140-Q144 PolarHBondContact O-N 3.45Å
141	E	67.7	Low	74.4	Confident	116 Å²	116	97.5 Å²	97.5	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-49.9	175.3	-70.4	-166.4	-179.1	0	0	113.8	S139 L143 Q144 R145	S139-E141 PolarHBondContact O-N 2.82Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-Q144 PolarHBondContact O-N 2.82Å; E141-R145 WeakPolarHBondContact O-CB 3.48Å; E141-R145 WeakPolarHBondContact O-CG 3.41Å; E141-R145 PolarHBondContact O-N 2.75Å; E141-R145 IonicContact OE2-CZ 3.72Å; E141-R145 IonicContact OE2-NH1 3.82Å; E141-R145 IonicContact OE2-NH2 2.86Å; E141-R145 PolarHBondContact OE2-NH2 3.19Å
142	S	67.1	Low	74.7	Confident	53 Å²	53	98 Å²	98	37%	0.371	49%	0.489	S	S	.	.	H	α-helix	trans	-72	-30.5	179.2	-36.8	0	0	0	0	112.1	S139 N146	S139-S142 PolarHBondContact O-N 3.25Å; S139-S142 VanDerWaalsContact OG-CA 3.31Å; S139-S142 WeakPolarHBondContact OG-CA 3.39Å; S139-S142 WeakPolarHBondContact OG-CB 3.45Å; S139-S142 PolarHBondContact OG-N 2.82Å; S139-S142 PolarHBondContact OG-OG 3.42Å; S142-N146 WeakPolarHBondContact O-CB 3.23Å; S142-N146 PolarHBondContact O-N 3.02Å; S142-N146 PolarHBondContact O-ND2 2.69Å
143	L	73.7	Confident	74.8	Confident	99 Å²	99	99.4 Å²	99.4	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-45	170.2	179	60.5	0	0	0	110.2	S139 T140 E141 N146 I147	S139-L143 WeakPolarHBondContact O-CB 3.15Å; S139-L143 PolarHBondContact O-N 3.36Å; T140-L143 PolarHBondContact O-N 3.23Å; E141-L143 VanDerWaalsContact C-N 3.35Å; L143-N146 PolarHBondContact O-N 2.83Å; L143-I147 HydrophobicContact CD1-CD1 3.93Å; L143-I147 HydrophobicContact CD1-CG1 4.19Å; L143-I147 HydrophobicContact CD2-CD1 4.49Å; L143-I147 HydrophobicContact CG-CD1 3.78Å; L143-I147 HydrophobicContact CG-CG1 4.44Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.06Å
144	Q	78.2	Confident	74.9	Confident	110 Å²	110	98.5 Å²	98.5	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-44.8	178.2	-172.5	175.5	-15	0	0	111.7	T140 E141 N146 I147 E148	T140-Q144 WeakPolarHBondContact O-CB 3.43Å; T140-Q144 PolarHBondContact O-N 3.45Å; E141-Q144 PolarHBondContact O-N 2.82Å; Q144-N146 PolarHBondContact O-N 2.97Å; Q144-I147 PolarHBondContact O-N 3.07Å; Q144-E148 PolarHBondContact NE2-OE1 3.39Å; Q144-E148 WeakPolarHBondContact O-CB 3.39Å; Q144-E148 WeakPolarHBondContact O-CG 3.12Å; Q144-E148 PolarHBondContact O-N 2.89Å
145	R	76.8	Confident	75.4	Confident	128 Å²	128	95.6 Å²	95.6	48%	0.483	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-46.1	172.7	-72.9	-174.1	-162.8	109.3	12.4	111.5	E141 I147 E148 E149	E141-R145 WeakPolarHBondContact O-CB 3.48Å; E141-R145 WeakPolarHBondContact O-CG 3.41Å; E141-R145 PolarHBondContact O-N 2.75Å; E141-R145 IonicContact OE2-CZ 3.72Å; E141-R145 IonicContact OE2-NH1 3.82Å; E141-R145 IonicContact OE2-NH2 2.86Å; E141-R145 PolarHBondContact OE2-NH2 3.19Å; R145-I147 VanDerWaalsContact C-N 3.33Å; R145-I147 PolarHBondContact O-N 3.39Å; R145-E148 PolarHBondContact O-N 3.35Å; R145-E149 WeakPolarHBondContact O-CB 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.02Å; R145-E149 PolarHBondContact O-N 2.67Å
146	N	76.6	Confident	75.9	Confident	99 Å²	99	98.1 Å²	98.1	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-38.2	177.3	-74.7	-31.2	0	0	0	112.4	S142 L143 Q144 G150	S142-N146 WeakPolarHBondContact O-CB 3.23Å; S142-N146 PolarHBondContact O-N 3.02Å; S142-N146 PolarHBondContact O-ND2 2.69Å; L143-N146 PolarHBondContact O-N 2.83Å; Q144-N146 PolarHBondContact O-N 2.97Å; N146-G150 PolarHBondContact O-N 2.86Å
147	I	82.7	Confident	76.5	Confident	92 Å²	92	95.2 Å²	95.2	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-46.3	175.6	-69.8	166.6	0	0	0	110.3	L143 Q144 R145 G150 M151	L143-I147 HydrophobicContact CD1-CD1 3.93Å; L143-I147 HydrophobicContact CD1-CG1 4.19Å; L143-I147 HydrophobicContact CD2-CD1 4.49Å; L143-I147 HydrophobicContact CG-CD1 3.78Å; L143-I147 HydrophobicContact CG-CG1 4.44Å; L143-I147 WeakPolarHBondContact O-CB 3.4Å; L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.06Å; Q144-I147 PolarHBondContact O-N 3.07Å; R145-I147 VanDerWaalsContact C-N 3.33Å; R145-I147 PolarHBondContact O-N 3.39Å; I147-G150 PolarHBondContact O-N 3.41Å; I147-M151 PolarHBondContact O-N 3.13Å
148	E	85.2	Confident	77.4	Confident	86 Å²	86	97.9 Å²	97.9	40%	0.402	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-44.1	178.9	-77.4	178	-163.1	0	0	112.2	Q144 R145 M151 K152	Q144-E148 PolarHBondContact NE2-OE1 3.39Å; Q144-E148 WeakPolarHBondContact O-CB 3.39Å; Q144-E148 WeakPolarHBondContact O-CG 3.12Å; Q144-E148 PolarHBondContact O-N 2.89Å; R145-E148 PolarHBondContact O-N 3.35Å; E148-M151 PolarHBondContact O-N 3.01Å; E148-K152 WeakPolarHBondContact O-CB 3.1Å; E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 3.02Å
149	E	82.2	Confident	78.2	Confident	121 Å²	121	98.9 Å²	98.9	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-62.6	-42.9	174.1	-74.8	178.9	-175.9	0	0	111.2	R145 M151 K152 F153	R145-E149 WeakPolarHBondContact O-CB 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.02Å; R145-E149 PolarHBondContact O-N 2.67Å; E149-M151 PolarHBondContact O-N 3.19Å; E149-K152 PolarHBondContact O-N 3.4Å; E149-F153 WeakPolarHBondContact O-CB 3.22Å; E149-F153 PolarHBondContact O-N 2.95Å
150	G	81.9	Confident	78.5	Confident	21 Å²	21	102 Å²	102	22%	0.216	50%	0.495	C	S	.	.	H	α-helix	trans	-60	-43.7	173.4	0	0	0	0	0	113	N146 I147 F153 Q154	N146-G150 PolarHBondContact O-N 2.86Å; I147-G150 PolarHBondContact O-N 3.41Å; G150-F153 PolarHBondContact O-N 3.19Å; G150-Q154 WeakPolarHBondContact O-CG 3.11Å; G150-Q154 PolarHBondContact O-N 2.87Å
151	M	84.9	Confident	78.2	Confident	130 Å²	130	103.6 Å²	103.6	64%	0.64	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-42.2	176.4	-80.5	-161	160.1	0	0	112.4	I147 E148 E149 F153 Q154 S155	I147-M151 PolarHBondContact O-N 3.13Å; E148-M151 PolarHBondContact O-N 3.01Å; E149-M151 PolarHBondContact O-N 3.19Å; M151-F153 VanDerWaalsContact C-N 3.35Å; M151-Q154 PolarHBondContact O-N 3.23Å; M151-S155 WeakPolarHBondContact O-CB 3.48Å; M151-S155 PolarHBondContact O-N 3.01Å
152	K	86.1	Confident	77.9	Confident	128 Å²	128	108.8 Å²	108.8	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-60.9	-44.9	175.2	-75.5	172.1	-175.1	169.7	0	111	E148 E149 S155 Q156	E148-K152 WeakPolarHBondContact O-CB 3.1Å; E148-K152 WeakPolarHBondContact O-CG 3.41Å; E148-K152 PolarHBondContact O-N 3.02Å; E149-K152 PolarHBondContact O-N 3.4Å; K152-S155 PolarHBondContact O-N 3.45Å; K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.16Å
153	F	82.1	Confident	77.4	Confident	134 Å²	134	115.3 Å²	115.3	59%	0.588	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-44.4	177.6	-170.6	-97.7	0	0	0	112	E149 G150 M151 S155 Q156 L157	E149-F153 WeakPolarHBondContact O-CB 3.22Å; E149-F153 PolarHBondContact O-N 2.95Å; G150-F153 PolarHBondContact O-N 3.19Å; M151-F153 VanDerWaalsContact C-N 3.35Å; F153-S155 PolarHBondContact O-N 3.39Å; F153-Q156 PolarHBondContact O-N 3.09Å; F153-L157 HydrophobicContact CE1-CD1 4.42Å; F153-L157 PolarHBondContact O-N 2.85Å
154	Q	80.1	Confident	76.3	Confident	65 Å²	65	114.2 Å²	114.2	30%	0.304	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175.7	-72	-179.9	29.4	0	0	112.7	G150 M151 L157 R158 T203	G150-Q154 WeakPolarHBondContact O-CG 3.11Å; G150-Q154 PolarHBondContact O-N 2.87Å; M151-Q154 PolarHBondContact O-N 3.23Å; Q154-L157 PolarHBondContact O-N 2.94Å; Q154-R158 WeakPolarHBondContact O-CG 3.46Å; Q154-R158 PolarHBondContact O-N 3.19Å; Q154-T203 HydrophobicContact CG-CG2 4.15Å
155	S	82.8	Confident	74.6	Confident	56 Å²	56	112.4 Å²	112.4	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-63.5	-41.6	176	-175.3	0	0	0	0	111.7	M151 K152 F153 R158 K159	M151-S155 WeakPolarHBondContact O-CB 3.48Å; M151-S155 PolarHBondContact O-N 3.01Å; K152-S155 PolarHBondContact O-N 3.45Å; F153-S155 PolarHBondContact O-N 3.39Å; S155-R158 PolarHBondContact O-N 3.32Å; S155-K159 WeakPolarHBondContact O-CG 3.46Å; S155-K159 PolarHBondContact O-N 3.46Å
156	Q	83.5	Confident	72.6	Confident	120 Å²	120	115.6 Å²	115.6	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-63.7	-42.8	174.5	-72.7	175	-1.6	0	0	111.8	K152 F153 R158 K159 M160	K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.16Å; F153-Q156 PolarHBondContact O-N 3.09Å; Q156-R158 PolarHBondContact O-N 2.84Å; Q156-K159 PolarHBondContact O-N 3.3Å; Q156-K159 VanDerWaalsContact O-N 3.14Å; Q156-M160 WeakPolarHBondContact O-CG 3.48Å; Q156-M160 PolarHBondContact O-N 3.05Å
157	L	80	Confident	70.9	Confident	83 Å²	83	118.3 Å²	118.3	44%	0.435	57%	0.568	S	S	.	*	H	α-helix	trans	-62.9	-41.3	177.5	-147.5	78.9	0	0	0	112	F153 Q154 K159 M160 N161	F153-L157 HydrophobicContact CE1-CD1 4.42Å; F153-L157 PolarHBondContact O-N 2.85Å; Q154-L157 PolarHBondContact O-N 2.94Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.14Å; L157-M160 PolarHBondContact O-N 3.15Å; L157-N161 WeakPolarHBondContact O-CB 3.45Å; L157-N161 PolarHBondContact O-N 3.3Å
158	R	79.1	Confident	69.1	Low	154 Å²	154	120.9 Å²	120.9	58%	0.581	58%	0.58	S	S	*	*	H	α-helix	trans	-62.9	-34.8	173.9	-72	178.4	-175.2	-165.8	2.4	112.5	Q154 S155 Q156 R162	Q154-R158 WeakPolarHBondContact O-CG 3.46Å; Q154-R158 PolarHBondContact O-N 3.19Å; S155-R158 PolarHBondContact O-N 3.32Å; Q156-R158 PolarHBondContact O-N 2.84Å; R158-R162 WeakPolarHBondContact O-CG 3.41Å; R158-R162 PolarHBondContact O-N 2.81Å
159	K	78.1	Confident	67.1	Low	145 Å²	145	122.1 Å²	122.1	63%	0.63	59%	0.589	S	S	*	*	H	α-helix	trans	-72.4	-42.8	175.2	-72.3	177.1	-176.6	-176.5	0	111.6	S155 Q156 L157 R162 F163	S155-K159 WeakPolarHBondContact O-CG 3.46Å; S155-K159 PolarHBondContact O-N 3.46Å; Q156-K159 PolarHBondContact O-N 3.3Å; Q156-K159 VanDerWaalsContact O-N 3.14Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.14Å; K159-R162 PolarHBondContact O-N 3.35Å; K159-F163 PolarHBondContact O-N 3.11Å
160	M	69.8	Low	65.4	Low	118 Å²	118	124.1 Å²	124.1	58%	0.581	60%	0.604	S	S	*	*	H	α-helix	trans	-63.7	-43.8	177.2	-67.3	-134.9	-55.5	0	0	111.7	Q156 L157 R162 F163 T164	Q156-M160 WeakPolarHBondContact O-CG 3.48Å; Q156-M160 PolarHBondContact O-N 3.05Å; L157-M160 PolarHBondContact O-N 3.15Å; M160-R162 PolarHBondContact O-N 3.24Å; M160-R162 VanDerWaalsContact O-N 3.15Å; M160-F163 PolarHBondContact O-N 3.43Å; M160-T164 PolarHBondContact O-N 2.96Å; M160-T164 PolarHBondContact O-OG1 2.83Å
161	N	64.7	Low	63.6	Low	118 Å²	118	133 Å²	133	63%	0.631	63%	0.631	S	S	*	*	H	α-helix	trans	-64.2	-18.6	176.8	-80.2	16.6	0	0	0	113.8	L157	L157-N161 WeakPolarHBondContact O-CB 3.45Å; L157-N161 PolarHBondContact O-N 3.3Å
162	R	61	Low	61.7	Low	224 Å²	224	134.4 Å²	134.4	85%	0.845	64%	0.641	S	S	*	*	H	α-helix	trans	-83.5	-23.5	171.3	-74.2	-176.4	-167.4	177.3	2.7	113.2	R158 K159 M160	R158-R162 WeakPolarHBondContact O-CG 3.41Å; R158-R162 PolarHBondContact O-N 2.81Å; K159-R162 PolarHBondContact O-N 3.35Å; M160-R162 PolarHBondContact O-N 3.24Å; M160-R162 VanDerWaalsContact O-N 3.15Å
163	F	57	Low	60	Low	191 Å²	191	137.5 Å²	137.5	84%	0.838	65%	0.654	S	S	*	*	H	α-helix	trans	-96.3	-31.8	-177.9	-164.3	-100	0	0	0	112.6	K159 M160 G165	K159-F163 PolarHBondContact O-N 3.11Å; M160-F163 PolarHBondContact O-N 3.43Å; F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 PolarHBondContact O-N 3.41Å
164	T	49.6	Very low	58.1	Low	75 Å²	75	140.6 Å²	140.6	46%	0.46	67%	0.668	S	S	.	*			trans	-83.2	79.6	170.9	61.7	0	0	0	0	108.8	M160 Y166	M160-T164 PolarHBondContact O-N 2.96Å; M160-T164 PolarHBondContact O-OG1 2.83Å; T164-Y166 PolarHBondContact O-N 3.47Å
165	G	41.7	Very low	56.1	Low	72 Å²	72	147.8 Å²	147.8	74%	0.742	70%	0.698	S	S	*	*			trans	-63.8	55.9	169	0	0	0	0	0	113	F163 H167	F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 PolarHBondContact O-N 3.41Å; G165-H167 PolarHBondContact O-N 3.16Å
166	Y	36.2	Very low	54.4	Low	196 Å²	196	150.4 Å²	150.4	77%	0.769	71%	0.711	S	S	*	*			trans	-75.2	79	165.5	-96.6	-89.1	0	0	0	108.4	T164 M168	T164-Y166 PolarHBondContact O-N 3.47Å; Y166-M168 HydrophobicContact CD1-CG 4.33Å; Y166-M168 PolarHBondContact O-N 2.91Å
167	H	41.5	Very low	52.5	Low	156 Å²	156	155.8 Å²	155.8	72%	0.722	73%	0.726	S	S	*	*			trans	-62.2	83.3	158	-173.5	-74.2	0	0	0	107.8	G165	G165-H167 PolarHBondContact O-N 3.16Å
168	M	44.4	Very low	50.6	Low	146 Å²	146	161.5 Å²	161.5	72%	0.719	75%	0.748	S	S	*	*			trans	-88	117.9	164.5	-73.9	-90.2	76.5	0	0	107.5	Y166 D170	Y166-M168 HydrophobicContact CD1-CG 4.33Å; Y166-M168 PolarHBondContact O-N 2.91Å; M168-D170 PolarHBondContact O-N 3.05Å
169	D	42.5	Very low	48.9	Very low	111 Å²	111	164.5 Å²	164.5	59%	0.594	76%	0.759	S	S	*	*			trans	-40.2	111	-172.5	-74.8	-72.9	0	0	0	115.6	R171	D169-R171 HydrophobicContact CB-CB 4.39Å; D169-R171 PolarHBondContact O-N 3.18Å; D169-R171 VanDerWaalsContact O-N 3.13Å
170	D	47.2	Very low	47.3	Very low	164 Å²	164	165.5 Å²	165.5	88%	0.877	77%	0.766	S	S	*	*			trans	-84.1	46.9	165.9	-138.7	-40.1	0	0	0	110.8	M168	M168-D170 PolarHBondContact O-N 3.05Å
171	R	43.8	Very low	45.8	Very low	207 Å²	207	167.6 Å²	167.6	78%	0.781	78%	0.78	S	S	*	*			trans	-102.3	-5	-168	-120.7	-178.9	-171.6	-171.6	3.6	118.2	D169	D169-R171 HydrophobicContact CB-CB 4.39Å; D169-R171 PolarHBondContact O-N 3.18Å; D169-R171 VanDerWaalsContact O-N 3.13Å
172	D	45.2	Very low	44.8	Very low	160 Å²	160	173.1 Å²	173.1	86%	0.856	79%	0.791	S	S	*	*	S	Bend	trans	-143.8	17.7	-173.8	-91.8	-48.6	0	0	0	119.2
173	K	49.2	Very low	44	Very low	192 Å²	192	168.6 Å²	168.6	84%	0.835	79%	0.789	S	S	*	*	S	Bend	trans	-137.7	68.5	177.8	-71.1	-176.9	-178.1	171.8	0	115.2
174	K	42.1	Very low	43.4	Very low	200 Å²	200	165.8 Å²	165.8	87%	0.87	79%	0.787	S	S	*	*			trans	174.6	69.8	136.7	-98.9	166.4	176.9	174.5	0	112	V176	K174-V176 PolarHBondContact O-N 2.54Å
175	K	39.7	Very low	43	Very low	216 Å²	216	166.6 Å²	166.6	94%	0.939	80%	0.802	S	S	*	*			trans	-79.8	67.9	151.4	-102.3	-176.3	178.6	172.2	0	108.9
176	V	46.8	Very low	43.3	Very low	110 Å²	110	167.8 Å²	167.8	67%	0.667	80%	0.799	S	S	*	*			trans	-148.1	114.2	164.7	-178.4	0	0	0	0	108	K174	K174-V176 PolarHBondContact O-N 2.54Å
177	R	43.2	Very low	43.7	Very low	234 Å²	234	165.6 Å²	165.6	88%	0.883	80%	0.8	S	S	*	*			trans	88.4	68.9	167.5	-63.9	163.9	179	-150.9	-4.9	117.7
178	K	40.7	Very low	43.9	Very low	202 Å²	202	162.7 Å²	162.7	88%	0.878	80%	0.803	S	S	*	*			trans	-76.4	144.9	142.6	-178.2	178.4	-177.3	174.8	0	108.3
179	R	42.9	Very low	43.9	Very low	218 Å²	218	164.7 Å²	164.7	82%	0.823	81%	0.811	S	S	*	*			trans	86.1	119.3	-173.2	-68.1	177.9	157.9	166.9	-8.3	111
180	E	45	Very low	43.7	Very low	166 Å²	166	165.3 Å²	165.3	78%	0.776	82%	0.824	S	S	*	*			cis	-155	178.7	28.1	-90.9	133.7	-176.2	0	0	109.9
181	N	38.1	Very low	43.4	Very low	162 Å²	162	163 Å²	163	87%	0.866	82%	0.82	S	S	*	*			trans	93.1	81.6	170.2	-64.9	-0	0	0	0	118
182	R	42.6	Very low	43.3	Very low	233 Å²	233	159.6 Å²	159.6	88%	0.879	82%	0.823	S	S	*	*			trans	-90.8	156.9	150.8	-174	177.8	168.6	175	-3.5	107.3
183	T	44.6	Very low	43.3	Very low	130 Å²	130	160.8 Å²	160.8	80%	0.798	82%	0.823	S	S	*	*			trans	84.8	130.9	-176	76.9	0	0	0	0	111.9
184	V	43.8	Very low	43	Very low	131 Å²	131	160.2 Å²	160.2	79%	0.794	82%	0.823	S	S	*	*			cis	-147.8	150.1	28.4	172.8	0	0	0	0	108.9
185	A	41.3	Very low	43.1	Very low	93 Å²	93	155.3 Å²	155.3	77%	0.769	81%	0.814	S	S	*	*			trans	-86.7	138.5	171.3	0	0	0	0	0	111.1
186	S	49.4	Very low	43.3	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	81%	0.805	S	S	*	*			trans	-173.8	126.6	150.4	52.8	0	0	0	0	110.3
187	D	43.3	Very low	43.3	Very low	149 Å²	149	150.8 Å²	150.8	80%	0.797	80%	0.802	S	S	*	*			trans	63.2	100.7	145.5	-45.2	-28.4	0	0	0	117.5
188	A	46	Very low	43.3	Very low	96 Å²	96	146.2 Å²	146.2	79%	0.793	79%	0.791	S	S	*	*				49.5	87.9	75.7	0	0	0	0	0	113.3
189	E	43.9	Very low	43.6	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	77%	0.765	S	S	*	*				168	148.5	122	-88.7	-170.6	162.1	0	0	112.2
190	S	39.6	Very low	43.7	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	75%	0.75	S	S	*	*			trans	74.7	84.7	177.3	77.5	0	0	0	0	117.4
191	S	39.9	Very low	43.5	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	73%	0.728	S	S	*	*			trans	-79.7	162.7	160.1	-68.1	0	0	0	0	111.1
192	V	42.3	Very low	43.7	Very low	137 Å²	137	125.8 Å²	125.8	83%	0.83	72%	0.719	S	S	*	*			trans	88	74.1	161.1	-158.9	0	0	0	0	115.2
193	E	45.1	Very low	43.9	Very low	185 Å²	185	117.4 Å²	117.4	86%	0.864	70%	0.695	S	S	*	*	S	Bend	trans	-161.1	-9.4	149.4	-114.5	174.4	-165.3	0	0	116.2
194	Q	43.1	Very low	43.9	Very low	180 Å²	180	114.3 Å²	114.3	84%	0.841	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	11.2	-171.8	-88	173.7	-12.4	0	0	117.1
195	S	43.2	Very low	43.7	Very low	96 Å²	96	114.9 Å²	114.9	67%	0.671	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	4.5	-176.3	-44.2	0	0	0	0	115.5
196	L	45.1	Very low	43.8	Very low	142 Å²	142	117 Å²	117	74%	0.743	67%	0.669	S	S	*	*	S	Bend	trans	-96.8	-16.8	-176.8	-68	174.8	0	0	0	114.4	S200	L196-S200 PolarHBondContact O-OG 3.37Å
197	S	46.9	Very low	43.6	Very low	89 Å²	89	121.6 Å²	121.6	62%	0.622	67%	0.671	S	S	*	*	H	α-helix	trans	-79.5	-29.4	179.1	49.5	0	0	0	0	113.5
198	E	43.3	Very low	43.7	Very low	139 Å²	139	121.3 Å²	121.3	65%	0.65	67%	0.665	S	S	*	*	H	α-helix	trans	-91.8	-14.9	-176.3	-67.8	-174.8	155.1	0	0	114.6	S201	E198-S201 PolarHBondContact O-OG 3.04Å
199	V	45.9	Very low	43.9	Very low	54 Å²	54	120 Å²	120	33%	0.327	65%	0.654	S	S	.	*	H	α-helix	trans	-89.3	-29.1	177.4	-174.2	0	0	0	0	111.1	S201 Q202 T203	V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 2.9Å; V199-Q202 PolarHBondContact O-N 2.88Å; V199-T203 PolarHBondContact O-N 3.4Å; V199-T203 PolarHBondContact O-OG1 3.04Å
200	S	44.3	Very low	45.1	Very low	71 Å²	71	118.7 Å²	118.7	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-66	-30.1	172.6	-65.1	0	0	0	0	112.2	L196 S204	L196-S200 PolarHBondContact O-OG 3.37Å; S200-S204 VanDerWaalsContact O-CB 3.25Å; S200-S204 WeakPolarHBondContact O-CB 3.43Å; S200-S204 PolarHBondContact O-N 2.93Å; S200-S204 PolarHBondContact O-OG 2.97Å
201	S	40.9	Very low	47.1	Very low	46 Å²	46	118.5 Å²	118.5	32%	0.322	63%	0.633	S	S	.	*	H	α-helix	trans	-71.1	-42.5	174.5	53.6	0	0	0	0	110.8	E198 V199 T203 S204 F205	E198-S201 PolarHBondContact O-OG 3.04Å; V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 2.9Å; S201-T203 PolarHBondContact O-N 3.33Å; S201-S204 PolarHBondContact O-N 3.03Å; S201-S204 VanDerWaalsContact O-N 3.14Å; S201-F205 VanDerWaalsContact C-CD2 3.41Å; S201-F205 WeakPolarHBondContact O-CD2 3.24Å; S201-F205 WeakPolarHBondContact O-CG 3.3Å; S201-F205 PolarHBondContact O-N 3.3Å
202	Q	43.9	Very low	49.1	Very low	147 Å²	147	113.6 Å²	113.6	69%	0.687	60%	0.598	S	S	*	*	H	α-helix	trans	-67.5	-30	-179.3	-67.5	-176.5	10.5	0	0	114.9	V199	V199-Q202 PolarHBondContact O-N 2.88Å
203	T	45.7	Very low	51.2	Low	58 Å²	58	108.1 Å²	108.1	36%	0.356	57%	0.57	S	S	.	*	H	α-helix	trans	-84.9	-18.9	172.5	55	0	0	0	0	113.6	Q154 V199 S201	Q154-T203 HydrophobicContact CG-CG2 4.15Å; V199-T203 PolarHBondContact O-N 3.4Å; V199-T203 PolarHBondContact O-OG1 3.04Å; S201-T203 PolarHBondContact O-N 3.33Å
204	S	44.4	Very low	53.3	Low	65 Å²	65	99.4 Å²	99.4	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-79.3	-29	172.2	-59.7	0	0	0	0	112.2	S200 S201 N206 R207 Q208	S200-S204 VanDerWaalsContact O-CB 3.25Å; S200-S204 WeakPolarHBondContact O-CB 3.43Å; S200-S204 PolarHBondContact O-N 2.93Å; S200-S204 PolarHBondContact O-OG 2.97Å; S201-S204 PolarHBondContact O-N 3.03Å; S201-S204 VanDerWaalsContact O-N 3.14Å; S204-N206 PolarHBondContact O-N 3.12Å; S204-R207 PolarHBondContact O-N 3.25Å; S204-Q208 PolarHBondContact O-N 2.98Å
205	F	40.5	Very low	55.5	Low	143 Å²	143	91.6 Å²	91.6	63%	0.627	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.9	178.8	-77.7	-61.1	0	0	0	114.4	S201	S201-F205 VanDerWaalsContact C-CD2 3.41Å; S201-F205 WeakPolarHBondContact O-CD2 3.24Å; S201-F205 WeakPolarHBondContact O-CG 3.3Å; S201-F205 PolarHBondContact O-N 3.3Å
206	N	42.5	Very low	57.7	Low	137 Å²	137	87 Å²	87	73%	0.733	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-7.9	175	-141.9	8.1	0	0	0	114.1	S204	S204-N206 PolarHBondContact O-N 3.12Å
207	R	45.2	Very low	59.9	Low	193 Å²	193	83 Å²	83	73%	0.728	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-18.7	169.9	-75.9	-172.4	175.4	-163.4	-1.1	113	S204 A209	S204-R207 PolarHBondContact O-N 3.25Å; R207-A209 PolarHBondContact O-N 2.9Å
208	Q	45.1	Very low	61.9	Low	144 Å²	144	78.7 Å²	78.7	67%	0.673	41%	0.406	S	S	*	.			trans	-69	-5.2	169.6	-78.1	178.5	-15	0	0	113.6	S204 Q210	S204-Q208 PolarHBondContact O-N 2.98Å; Q208-Q210 PolarHBondContact O-N 2.97Å
209	A	50.9	Low	64.2	Low	69 Å²	69	73.3 Å²	73.3	57%	0.57	38%	0.381	S	S	*	.	S	Bend	trans	-74.2	90	172.2	0	0	0	0	0	110.4	R207	R207-A209 PolarHBondContact O-N 2.9Å
210	Q	69.1	Low	66.2	Low	159 Å²	159	73.2 Å²	73.2	74%	0.743	38%	0.381	S	S	*	.			trans	78.1	47.7	168.3	-60.9	-178.1	-58.6	0	0	118.3	Q208 P242	Q208-Q210 PolarHBondContact O-N 2.97Å; Q210-P242 WeakPolarHBondContact O-CD 3.14Å; Q210-P242 WeakPolarHBondContact O-CG 3.33Å
211	E	80.8	Confident	68.1	Low	119 Å²	119	73.1 Å²	73.1	56%	0.556	38%	0.375	S	S	*	.			trans	-69	141.6	153.6	-69.7	-171.6	163.8	0	0	110.5
212	V	83.1	Confident	70.1	Confident	12 Å²	12	71.1 Å²	71.1	7%	0.073	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135	178.2	175.3	0	0	0	0	109.5	T240 P242 M316 T324 I326	V212-T240 PolarHBondContact N-O 3.44Å; V212-T240 PolarHBondContact O-N 2.99Å; V212-T240 VanDerWaalsContact O-N 3.16Å; V212-P242 HydrophobicContact CG2-CB 4.07Å; V212-P242 HydrophobicContact CG2-CG 3.89Å; V212-M316 HydrophobicContact CB-SD 4.28Å; V212-M316 HydrophobicContact CG1-CE 4Å; V212-M316 HydrophobicContact CG1-SD 3.91Å; V212-M316 HydrophobicContact CG2-CE 3.81Å; V212-M316 HydrophobicContact CG2-SD 3.91Å; V212-T324 HydrophobicContact CG1-CG2 3.63Å; V212-T324 HydrophobicContact CG2-CG2 4.37Å; V212-I326 HydrophobicContact CG1-CG2 4.32Å
213	G	86.4	Confident	71.8	Confident	22 Å²	22	67 Å²	67	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.7	170.5	0	0	0	0	0	111	P325 I326	G213-P325 CarbonylContact O-C 3.51Å; G213-P325 WeakPolarHBondContact O-CA 3.29Å; G213-P325 WeakPolarHBondContact O-CB 3.29Å; G213-I326 PolarHBondContact O-N 3.34Å
214	V	88.8	Confident	73.4	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.1	176.3	-176.7	0	0	0	0	108.7	M216 L238 T240 L312 I326 L328	V214-M216 HydrophobicContact CG1-CG 4.14Å; V214-M216 HydrophobicContact CG1-SD 3.75Å; V214-L238 HydrophobicContact CB-CD1 3.9Å; V214-L238 HydrophobicContact CB-CG 3.94Å; V214-L238 HydrophobicContact CG2-CD1 4.09Å; V214-L238 PolarHBondContact N-O 3.4Å; V214-L238 PolarHBondContact O-N 2.9Å; V214-T240 HydrophobicContact CG2-CG2 4.14Å; V214-L312 HydrophobicContact CG2-CD1 4.2Å; V214-L312 HydrophobicContact CG2-CD2 3.54Å; V214-I326 WeakPolarHBondContact CA-O 3.47Å; V214-I326 HydrophobicContact CB-CG2 4.12Å; V214-I326 HydrophobicContact CG1-CG2 4.11Å; V214-I326 HydrophobicContact CG2-CG2 3.72Å; V214-L328 HydrophobicContact CG1-CD1 3.86Å; V214-L328 HydrophobicContact CG1-CG 4.35Å
215	I	90	Very high	75.2	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.087	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.9	170.9	-56.2	172.8	0	0	0	107.3	R217 P235 Y237 P325 I326 E327 L328	I215-R217 HydrophobicContact CG2-CG 3.97Å; I215-P235 HydrophobicContact CG2-CB 4.47Å; I215-Y237 HydrophobicContact CD1-CE1 4.29Å; I215-Y237 HydrophobicContact CG1-CD1 3.93Å; I215-Y237 HydrophobicContact CG1-CE1 4.11Å; I215-Y237 HydrophobicContact CG2-CD1 4.31Å; I215-Y237 HydrophobicContact CG2-CE1 4.05Å; I215-P325 HydrophobicContact CD1-CB 4.02Å; I215-P325 HydrophobicContact CD1-CG 3.57Å; I215-P325 HydrophobicContact CG1-CB 3.98Å; I215-P325 HydrophobicContact CG1-CG 4.11Å; I215-I326 PolarHBondContact N-O 2.66Å; I215-E327 HydrophobicContact CB-CG 4.35Å; I215-E327 HydrophobicContact CD1-CG 4.23Å; I215-L328 PolarHBondContact O-N 2.93Å
216	M	89.2	Confident	77.1	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102.6	175.3	-59.1	-68.6	-74.9	0	0	108.3	V214 P235 R236 L238 L250 V254 L293 L328 F330	V214-M216 HydrophobicContact CG1-CG 4.14Å; V214-M216 HydrophobicContact CG1-SD 3.75Å; M216-P235 WeakPolarHBondContact O-CA 3.47Å; M216-R236 HydrophobicContact CB-CB 4.25Å; M216-R236 PolarHBondContact N-O 3.21Å; M216-R236 PolarHBondContact O-N 3.47Å; M216-L238 HydrophobicContact CG-CD2 3.77Å; M216-L250 HydrophobicContact CE-CB 4.05Å; M216-V254 HydrophobicContact CB-CG2 4.31Å; M216-V254 HydrophobicContact CE-CG2 3.37Å; M216-V254 HydrophobicContact CG-CG2 4.33Å; M216-L293 HydrophobicContact CE-CD1 3.4Å; M216-L293 HydrophobicContact SD-CD1 4.17Å; M216-L328 CarbonylContact C-O 3.51Å; M216-L328 WeakPolarHBondContact CA-O 3.36Å; M216-L328 HydrophobicContact SD-CB 3.89Å; M216-L328 HydrophobicContact SD-CD1 4.09Å; M216-F330 HydrophobicContact CB-CD1 4.07Å; M216-F330 HydrophobicContact CB-CE1 4.33Å
217	R	90.7	Very high	78.9	Confident	56 Å²	56	71.5 Å²	71.5	21%	0.211	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.5	176	-69.2	-160.7	147.7	85.6	3.4	111.1	I215 P235 E327 L328 Y329 F330	I215-R217 HydrophobicContact CG2-CG 3.97Å; R217-P235 HydrophobicContact CG-CB 4.22Å; R217-E327 IonicContact CZ-OE1 2.75Å; R217-E327 IonicContact NH1-OE1 2.82Å; R217-E327 PolarHBondContact NH1-OE1 3.09Å; R217-E327 IonicContact NH1-OE2 3.27Å; R217-E327 PolarHBondContact NH1-OE2 3.5Å; R217-L328 PolarHBondContact N-O 3.3Å; R217-Y329 HydrophobicContact CB-CD1 3.71Å; R217-Y329 HydrophobicContact CB-CE1 3.85Å; R217-Y329 HydrophobicContact CB-CG 4.34Å; R217-Y329 HydrophobicContact CG-CE1 4.45Å; R217-Y329 CarbonylContact O-C 3.5Å; R217-Y329 WeakPolarHBondContact O-CA 3.43Å; R217-F330 VanDerWaalsContact C-CD1 3.5Å; R217-F330 WeakPolarHBondContact O-CD1 3.3Å; R217-F330 WeakPolarHBondContact O-CE1 2.9Å; R217-F330 PolarHBondContact O-N 3.47Å
218	P	90.2	Very high	80.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	147.5	164.5	26	-31.9	0	0	0	109.6	I222 E223 R233 F330	P218-I222 HydrophobicContact CB-CB 4.24Å; P218-I222 HydrophobicContact CB-CG2 4.04Å; P218-E223 HydrophobicContact CB-CB 4.39Å; P218-E223 HydrophobicContact CG-CB 3.84Å; P218-E223 HydrophobicContact CG-CG 3.91Å; P218-R233 WeakPolarHBondContact CG-O 3.3Å; P218-F330 HydrophobicContact CB-CE1 4.43Å; P218-F330 HydrophobicContact CB-CE2 4.34Å; P218-F330 HydrophobicContact CB-CZ 3.98Å
219	H	90.9	Very high	81.8	Confident	26 Å²	26	59.6 Å²	59.6	12%	0.12	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.4	172.8	-174.4	-73.7	0	0	0	109.3	D221 I222 E223 F294 F330 R331	H219-D221 VanDerWaalsContact CB-OD1 3.23Å; H219-D221 WeakPolarHBondContact CB-OD1 3.49Å; H219-D221 IonicContact CE1-OD1 3.62Å; H219-D221 IonicContact CE1-OD2 3.95Å; H219-D221 IonicContact CG-OD1 2.78Å; H219-D221 VanDerWaalsContact CG-OD1 3.25Å; H219-D221 PolarHBondContact ND1-N 3.01Å; H219-D221 IonicContact ND1-OD1 3.41Å; H219-D221 PolarHBondContact ND1-OD1 3.33Å; H219-D221 IonicContact ND1-OD2 3.98Å; H219-D221 PolarHBondContact ND1-OD2 3.48Å; H219-D221 PolarHBondContact O-N 3.25Å; H219-I222 WeakPolarHBondContact O-CA 3.45Å; H219-I222 PolarHBondContact O-N 3.44Å; H219-E223 PolarHBondContact O-N 3.38Å; H219-F294 AromaticContact CD2-CD2 3.89Å; H219-F294 AromaticContact CD2-CE2 3.86Å; H219-F330 WeakPolarHBondContact CB-O 3.3Å; H219-F330 PolarHBondContact N-O 3.39Å; H219-R331 HydrophobicContact CB-CB 4.19Å; H219-R331 PolarHBondContact CE1-NH2 3.01Å; H219-R331 PolarHBondContact ND1-NH2 3.2Å; H219-R331 PolarHBondContact NE2-NH2 2.96Å; H219-R331 VanDerWaalsContact NE2-NH2 3.11Å
220	P	87.4	Confident	83.1	Confident	51 Å²	51	61.6 Å²	61.6	33%	0.331	31%	0.309	S	S	.	.	H	α-helix	trans	-55.8	-20.9	-173.9	-30.5	35.5	0	0	0	116.4	I222 L302	P220-I222 VanDerWaalsContact C-N 3.33Å; P220-L302 HydrophobicContact CG-CD1 3.92Å
221	D	85.3	Confident	83.6	Confident	70 Å²	70	56.4 Å²	56.4	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-73.5	-22	173.9	59.9	-6.5	0	0	0	113.4	H219 N225 R331	H219-D221 VanDerWaalsContact CB-OD1 3.23Å; H219-D221 WeakPolarHBondContact CB-OD1 3.49Å; H219-D221 IonicContact CE1-OD1 3.62Å; H219-D221 IonicContact CE1-OD2 3.95Å; H219-D221 IonicContact CG-OD1 2.78Å; H219-D221 VanDerWaalsContact CG-OD1 3.25Å; H219-D221 PolarHBondContact ND1-N 3.01Å; H219-D221 IonicContact ND1-OD1 3.41Å; H219-D221 PolarHBondContact ND1-OD1 3.33Å; H219-D221 IonicContact ND1-OD2 3.98Å; H219-D221 PolarHBondContact ND1-OD2 3.48Å; H219-D221 PolarHBondContact O-N 3.25Å; D221-N225 VanDerWaalsContact O-CB 3.3Å; D221-N225 WeakPolarHBondContact O-CB 3.47Å; D221-R331 IonicContact OD2-CZ 3.22Å; D221-R331 VanDerWaalsContact OD2-CZ 3.29Å; D221-R331 IonicContact OD2-NE 3.5Å; D221-R331 PolarHBondContact OD2-NE 2.79Å; D221-R331 IonicContact OD2-NH2 3.83Å; D221-R331 PolarHBondContact OD2-NH2 2.85Å
222	I	82.9	Confident	83.7	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-97.2	-43.3	175.4	-64.7	169.1	0	0	0	110	P218 H219 P220 N224 N225 Y228 I232 R331 L337	P218-I222 HydrophobicContact CB-CB 4.24Å; P218-I222 HydrophobicContact CB-CG2 4.04Å; H219-I222 WeakPolarHBondContact O-CA 3.45Å; H219-I222 PolarHBondContact O-N 3.44Å; P220-I222 VanDerWaalsContact C-N 3.33Å; I222-N224 VanDerWaalsContact C-N 3.31Å; I222-N224 PolarHBondContact O-N 2.9Å; I222-N225 PolarHBondContact O-N 3.06Å; I222-N225 VanDerWaalsContact O-N 3.15Å; I222-Y228 HydrophobicContact CB-CD2 4.17Å; I222-Y228 HydrophobicContact CB-CE2 4.24Å; I222-Y228 HydrophobicContact CG1-CD2 4.35Å; I222-Y228 HydrophobicContact CG1-CE2 3.97Å; I222-Y228 HydrophobicContact CG2-CD2 3.74Å; I222-Y228 HydrophobicContact CG2-CE2 4.23Å; I222-Y228 HydrophobicContact CG2-CG 4.33Å; I222-I232 HydrophobicContact CG2-CG2 3.86Å; I222-R331 HydrophobicContact CD1-CG 4.05Å; I222-L337 HydrophobicContact CD1-CD1 4.32Å; I222-L337 HydrophobicContact CG1-CD1 4.48Å
223	E	79.3	Confident	83.7	Confident	60 Å²	60	53.3 Å²	53.3	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-44	-174.7	-165.4	168	-161.1	0	0	112.6	P218 H219 R233	P218-E223 HydrophobicContact CB-CB 4.39Å; P218-E223 HydrophobicContact CG-CB 3.84Å; P218-E223 HydrophobicContact CG-CG 3.91Å; H219-E223 PolarHBondContact O-N 3.38Å; E223-R233 WeakPolarHBondContact O-CD 3.49Å
224	N	79	Confident	83.5	Confident	132 Å²	132	57.1 Å²	57.1	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.3	-176.9	-64.7	-30.9	0	0	0	113.9	I222	I222-N224 VanDerWaalsContact C-N 3.31Å; I222-N224 PolarHBondContact O-N 2.9Å
225	N	82.5	Confident	83.3	Confident	59 Å²	59	58.9 Å²	58.9	32%	0.316	29%	0.288	S	S	.	.			trans	-97.3	100.5	-174	-172.4	-13.6	0	0	0	111	D221 I222 K227 Y228 R233	D221-N225 VanDerWaalsContact O-CB 3.3Å; D221-N225 WeakPolarHBondContact O-CB 3.47Å; I222-N225 PolarHBondContact O-N 3.06Å; I222-N225 VanDerWaalsContact O-N 3.15Å; N225-K227 PolarHBondContact O-N 2.98Å; N225-K227 WeakPolarHBondContact OD1-CB 3.49Å; N225-K227 PolarHBondContact OD1-N 3.42Å; N225-Y228 HydrophobicContact CB-CD2 3.76Å; N225-Y228 HydrophobicContact CB-CE2 3.86Å; N225-Y228 WeakPolarHBondContact ND2-CE2 3.05Å; N225-Y228 PolarHBondContact O-N 3.25Å; N225-R233 WeakPolarHBondContact O-CD 3.2Å
226	E	79.5	Confident	83.2	Confident	168 Å²	168	59 Å²	59	79%	0.785	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.6	-177.6	-62.1	-172.8	158.1	0	0	114.4	Y228	E226-Y228 PolarHBondContact O-N 3.33Å
227	K	80	Confident	83.1	Confident	139 Å²	139	66.1 Å²	66.1	60%	0.604	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.6	172.6	-172.1	170.2	172.4	171.7	0	112.5	N225	N225-K227 PolarHBondContact O-N 2.98Å; N225-K227 WeakPolarHBondContact OD1-CB 3.49Å; N225-K227 PolarHBondContact OD1-N 3.42Å
228	Y	76	Confident	83	Confident	37 Å²	37	64.8 Å²	64.8	15%	0.145	31%	0.313	C	S	.	.	S	Bend	trans	-92.1	137.4	179.7	-57.7	-53.5	0	0	0	112.4	I222 N225 E226 R233 L337	I222-Y228 HydrophobicContact CB-CD2 4.17Å; I222-Y228 HydrophobicContact CB-CE2 4.24Å; I222-Y228 HydrophobicContact CG1-CD2 4.35Å; I222-Y228 HydrophobicContact CG1-CE2 3.97Å; I222-Y228 HydrophobicContact CG2-CD2 3.74Å; I222-Y228 HydrophobicContact CG2-CE2 4.23Å; I222-Y228 HydrophobicContact CG2-CG 4.33Å; N225-Y228 HydrophobicContact CB-CD2 3.76Å; N225-Y228 HydrophobicContact CB-CE2 3.86Å; N225-Y228 WeakPolarHBondContact ND2-CE2 3.05Å; N225-Y228 PolarHBondContact O-N 3.25Å; E226-Y228 PolarHBondContact O-N 3.33Å; Y228-R233 PolarHBondContact O-NE 2.87Å; Y228-L337 HydrophobicContact CD1-CB 3.65Å; Y228-L337 HydrophobicContact CD1-CD1 3.98Å; Y228-L337 HydrophobicContact CD1-CD2 4.12Å; Y228-L337 HydrophobicContact CD1-CG 4.12Å; Y228-L337 HydrophobicContact CE1-CB 3.32Å; Y228-L337 HydrophobicContact CE1-CD1 3.36Å; Y228-L337 HydrophobicContact CE1-CD2 4.3Å; Y228-L337 HydrophobicContact CE1-CG 3.81Å; Y228-L337 HydrophobicContact CE2-CD1 4.18Å; Y228-L337 VanDerWaalsContact CZ-CD1 3.44Å
229	P	76.4	Confident	82.9	Confident	49 Å²	49	72.3 Å²	72.3	32%	0.318	35%	0.346	S	S	.	.			trans	-53.9	148.4	175.6	-26.5	33.5	0	0	0	113.3	Y231 I232 R233	P229-Y231 HydrophobicContact CB-CD1 3.59Å; P229-Y231 HydrophobicContact CB-CE1 3.18Å; P229-Y231 HydrophobicContact CB-CE2 4.21Å; P229-Y231 HydrophobicContact CB-CG 4.26Å; P229-Y231 HydrophobicContact CG-CE1 3.84Å; P229-Y231 PolarHBondContact O-N 2.88Å; P229-Y231 VanDerWaalsContact O-N 3.14Å; P229-I232 HydrophobicContact CB-CG1 4.43Å; P229-I232 HydrophobicContact CG-CD1 4.38Å; P229-I232 WeakPolarHBondContact O-CB 3.33Å; P229-I232 PolarHBondContact O-N 3.09Å; P229-R233 PolarHBondContact O-N 3.32Å
230	L	78	Confident	82.7	Confident	112 Å²	112	72.9 Å²	72.9	59%	0.586	35%	0.351	S	S	*	.	H	α-helix	trans	-52.5	-39.2	-178.2	-76.9	167.6	0	0	0	113	I232 R233 Q234	L230-I232 PolarHBondContact O-N 2.9Å; L230-R233 VanDerWaalsContact CD2-NH2 3.34Å; L230-R233 PolarHBondContact O-N 3.49Å; L230-R233 VanDerWaalsContact O-N 3.11Å; L230-Q234 VanDerWaalsContact O-CG 3.24Å; L230-Q234 WeakPolarHBondContact O-CG 3.12Å; L230-Q234 PolarHBondContact O-N 2.76Å
231	Y	78.8	Confident	82.7	Confident	50 Å²	50	72 Å²	72	20%	0.196	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-18.3	-179.7	62.8	-102.7	0	0	0	114.2	P229 R236 V258 D261 T262 A265	P229-Y231 HydrophobicContact CB-CD1 3.59Å; P229-Y231 HydrophobicContact CB-CE1 3.18Å; P229-Y231 HydrophobicContact CB-CE2 4.21Å; P229-Y231 HydrophobicContact CB-CG 4.26Å; P229-Y231 HydrophobicContact CG-CE1 3.84Å; P229-Y231 PolarHBondContact O-N 2.88Å; P229-Y231 VanDerWaalsContact O-N 3.14Å; Y231-R236 PolarHBondContact O-NH2 3.5Å; Y231-R236 VanDerWaalsContact O-NH2 3.07Å; Y231-V258 HydrophobicContact CD2-CG1 4.16Å; Y231-V258 HydrophobicContact CE2-CG1 4.09Å; Y231-D261 HydrophobicContact CD2-CB 4.06Å; Y231-D261 HydrophobicContact CG-CB 4.06Å; Y231-T262 WeakPolarHBondContact CE2-OG1 3.45Å; Y231-T262 PolarHBondContact OH-OG1 3.24Å; Y231-A265 HydrophobicContact CD1-CB 4.44Å; Y231-A265 HydrophobicContact CE1-CB 4.1Å
232	I	83.1	Confident	82.8	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-86.4	-37.1	173.6	-54.4	-167.2	0	0	0	110.6	I222 P229 L230 Q234 V258 L332 L337	I222-I232 HydrophobicContact CG2-CG2 3.86Å; P229-I232 HydrophobicContact CB-CG1 4.43Å; P229-I232 HydrophobicContact CG-CD1 4.38Å; P229-I232 WeakPolarHBondContact O-CB 3.33Å; P229-I232 PolarHBondContact O-N 3.09Å; L230-I232 PolarHBondContact O-N 2.9Å; I232-Q234 VanDerWaalsContact C-N 3.26Å; I232-Q234 PolarHBondContact O-N 3Å; I232-V258 HydrophobicContact CD1-CG1 4.4Å; I232-V258 HydrophobicContact CG1-CG1 4.02Å; I232-L332 HydrophobicContact CG2-CD1 3.92Å; I232-L337 HydrophobicContact CD1-CD2 3.53Å; I232-L337 HydrophobicContact CG2-CD2 3.74Å
233	R	82.5	Confident	82.9	Confident	63 Å²	63	72.4 Å²	72.4	24%	0.238	35%	0.354	C	S	.	.	H	α-helix	trans	-78.5	-5.3	-177.7	-62.1	-168	-75.6	140.5	-7.3	114.1	P218 E223 N225 Y228 P229 L230	P218-R233 WeakPolarHBondContact CG-O 3.3Å; E223-R233 WeakPolarHBondContact O-CD 3.49Å; N225-R233 WeakPolarHBondContact O-CD 3.2Å; Y228-R233 PolarHBondContact O-NE 2.87Å; P229-R233 PolarHBondContact O-N 3.32Å; L230-R233 VanDerWaalsContact CD2-NH2 3.34Å; L230-R233 PolarHBondContact O-N 3.49Å; L230-R233 VanDerWaalsContact O-N 3.11Å
234	Q	82.7	Confident	83.2	Confident	103 Å²	103	75.7 Å²	75.7	48%	0.481	37%	0.373	S	S	.	.	S	Bend	trans	-88.7	137.9	-177	-79.2	170.3	0.7	0	0	112.6	L230 I232	L230-Q234 VanDerWaalsContact O-CG 3.24Å; L230-Q234 WeakPolarHBondContact O-CG 3.12Å; L230-Q234 PolarHBondContact O-N 2.76Å; I232-Q234 VanDerWaalsContact C-N 3.26Å; I232-Q234 PolarHBondContact O-N 3Å
235	P	85.9	Confident	83.7	Confident	38 Å²	38	69.5 Å²	69.5	25%	0.247	34%	0.34	C	S	.	.			trans	-68.1	146.9	171.8	30.1	-35.2	0	0	0	110.9	I215 M216 R217 Y237	I215-P235 HydrophobicContact CG2-CB 4.47Å; M216-P235 WeakPolarHBondContact O-CA 3.47Å; R217-P235 HydrophobicContact CG-CB 4.22Å; P235-Y237 HydrophobicContact CG-CE2 4.25Å
236	R	86.1	Confident	84.2	Confident	21 Å²	21	67.7 Å²	67.7	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	179	-52.4	-178.6	177.2	-77.4	4.7	109.9	M216 Y231 Y253 V258 D261	M216-R236 HydrophobicContact CB-CB 4.25Å; M216-R236 PolarHBondContact N-O 3.21Å; M216-R236 PolarHBondContact O-N 3.47Å; Y231-R236 PolarHBondContact O-NH2 3.5Å; Y231-R236 VanDerWaalsContact O-NH2 3.07Å; R236-Y253 HydrophobicContact CB-CE1 4.33Å; R236-V258 VanDerWaalsContact NH2-CG2 3.32Å; R236-D261 IonicContact CZ-OD2 3.72Å; R236-D261 VanDerWaalsContact CZ-OD2 3.27Å; R236-D261 IonicContact NH1-OD2 3.29Å; R236-D261 PolarHBondContact NH1-OD2 3.13Å; R236-D261 IonicContact NH2-OD2 3.81Å; R236-D261 PolarHBondContact NH2-OD2 3.18Å
237	Y	88.5	Confident	84.7	Confident	149 Å²	149	60.2 Å²	60.2	58%	0.584	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.9	-178.9	-53.1	-87.8	0	0	0	108.9	I215 P235	I215-Y237 HydrophobicContact CD1-CE1 4.29Å; I215-Y237 HydrophobicContact CG1-CD1 3.93Å; I215-Y237 HydrophobicContact CG1-CE1 4.11Å; I215-Y237 HydrophobicContact CG2-CD1 4.31Å; I215-Y237 HydrophobicContact CG2-CE1 4.05Å; P235-Y237 HydrophobicContact CG-CE2 4.25Å
238	L	89.1	Confident	85.2	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.2	176.6	68.5	99.5	0	0	0	110.9	V214 M216 T240 L250 Y253	V214-L238 HydrophobicContact CB-CD1 3.9Å; V214-L238 HydrophobicContact CB-CG 3.94Å; V214-L238 HydrophobicContact CG2-CD1 4.09Å; V214-L238 PolarHBondContact N-O 3.4Å; V214-L238 PolarHBondContact O-N 2.9Å; M216-L238 HydrophobicContact CG-CD2 3.77Å; L238-T240 HydrophobicContact CD1-CG2 3.78Å; L238-L250 HydrophobicContact CD1-CD2 4.22Å; L238-L250 HydrophobicContact CD2-CD2 4.4Å; L238-Y253 HydrophobicContact CB-CE1 4.42Å; L238-Y253 HydrophobicContact CD2-CD1 3.5Å; L238-Y253 HydrophobicContact CD2-CE1 3.31Å; L238-Y253 HydrophobicContact CD2-CG 4.29Å; L238-Y253 HydrophobicContact CG-CE1 4.47Å
239	K	86.7	Confident	85.9	Confident	158 Å²	158	59 Å²	59	69%	0.687	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	136	169.7	-68.9	-177.7	179.1	-178.9	0	108.2
240	T	87.5	Confident	86.6	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	165.7	179	-164.1	0	0	0	0	111.1	V212 V214 L238 A245 L312	V212-T240 PolarHBondContact N-O 3.44Å; V212-T240 PolarHBondContact O-N 2.99Å; V212-T240 VanDerWaalsContact O-N 3.16Å; V214-T240 HydrophobicContact CG2-CG2 4.14Å; L238-T240 HydrophobicContact CD1-CG2 3.78Å; T240-A245 HydrophobicContact CG2-CB 3.47Å; T240-A245 VanDerWaalsContact CG2-CB 3.47Å; T240-L312 HydrophobicContact CG2-CD2 3.61Å
241	S	87.8	Confident	87.3	Confident	32 Å²	32	52 Å²	52	22%	0.224	26%	0.263	C	S	.	.			trans	-76.6	127	176.9	168.6	0	0	0	0	110.1	S243 L244 A245	S241-S243 VanDerWaalsContact C-N 3.28Å; S241-S243 PolarHBondContact O-N 2.94Å; S241-S243 PolarHBondContact OG-OG 3.03Å; S241-L244 PolarHBondContact O-N 3.24Å; S241-A245 WeakPolarHBondContact O-CB 3.31Å; S241-A245 PolarHBondContact O-N 3.28Å
242	P	86.3	Confident	87.8	Confident	15 Å²	15	55.6 Å²	55.6	10%	0.097	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.1	-178.7	26.6	-33.8	0	0	0	113	Q210 V212 L312 E313 M316	Q210-P242 WeakPolarHBondContact O-CD 3.14Å; Q210-P242 WeakPolarHBondContact O-CG 3.33Å; V212-P242 HydrophobicContact CG2-CB 4.07Å; V212-P242 HydrophobicContact CG2-CG 3.89Å; P242-L312 PolarHBondContact O-N 2.69Å; P242-E313 HydrophobicContact CB-CB 4.28Å; P242-E313 WeakPolarHBondContact O-CB 3.28Å; P242-E313 PolarHBondContact O-N 3.4Å; P242-M316 HydrophobicContact CB-SD 3.86Å
243	S	84.6	Confident	88.1	Confident	68 Å²	68	58.7 Å²	58.7	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.3	-179	54.7	0	0	0	0	113.5	S241	S241-S243 VanDerWaalsContact C-N 3.28Å; S241-S243 PolarHBondContact O-N 2.94Å; S241-S243 PolarHBondContact OG-OG 3.03Å
244	L	86.8	Confident	88.4	Confident	128 Å²	128	55.7 Å²	55.7	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-31.7	-177.3	-62.8	172.4	0	0	0	113.5	S241 T246 H249	S241-L244 PolarHBondContact O-N 3.24Å; L244-T246 PolarHBondContact O-N 2.9Å; L244-H249 PolarHBondContact O-ND1 3.08Å
245	A	89.5	Confident	88.7	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.025	25%	0.254	C	S	.	.			trans	-72.7	130.5	179.5	0	0	0	0	0	110.4	T240 S241 T311 L312	T240-A245 HydrophobicContact CG2-CB 3.47Å; T240-A245 VanDerWaalsContact CG2-CB 3.47Å; S241-A245 WeakPolarHBondContact O-CB 3.31Å; S241-A245 PolarHBondContact O-N 3.28Å; A245-T311 CarbonylContact O-C 3.52Å; A245-T311 VanDerWaalsContact O-CA 3.32Å; A245-T311 WeakPolarHBondContact O-CA 3.47Å; A245-L312 HydrophobicContact CB-CB 4.07Å; A245-L312 HydrophobicContact CB-CD2 4.37Å; A245-L312 PolarHBondContact O-N 3.45Å
246	T	92.2	Very high	88.6	Confident	21 Å²	21	52.7 Å²	52.7	13%	0.129	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-116.3	166.5	175.8	65.4	0	0	0	0	110	L244 A248 H249 L250 G308 T310 T311	L244-T246 PolarHBondContact O-N 2.9Å; T246-A248 PolarHBondContact O-N 3.11Å; T246-A248 PolarHBondContact OG1-N 3.42Å; T246-H249 PolarHBondContact N-ND1 3.39Å; T246-H249 WeakPolarHBondContact O-CB 3.25Å; T246-H249 PolarHBondContact O-N 3.41Å; T246-H249 PolarHBondContact OG1-N 2.92Å; T246-H249 PolarHBondContact OG1-ND1 3.29Å; T246-H249 VanDerWaalsContact OG1-ND1 3.12Å; T246-L250 WeakPolarHBondContact O-CG 3.41Å; T246-L250 PolarHBondContact O-N 3.39Å; T246-G308 VanDerWaalsContact CB-O 3.29Å; T246-G308 WeakPolarHBondContact CB-O 3.38Å; T246-G308 PolarHBondContact OG1-O 2.81Å; T246-T310 CarbonylContact C-O 3.6Å; T246-T310 VanDerWaalsContact CA-O 3.25Å; T246-T310 WeakPolarHBondContact CA-O 3.34Å; T246-T311 HydrophobicContact CG2-CG2 4.39Å
247	V	91.2	Very high	88.5	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-51.8	-42.8	171.2	175.4	0	0	0	0	110.8	H249 L250 T251 L293 I305 T310 I315	V247-H249 VanDerWaalsContact C-N 3.33Å; V247-H249 PolarHBondContact O-N 2.91Å; V247-L250 PolarHBondContact O-N 3.46Å; V247-L250 VanDerWaalsContact O-N 3.16Å; V247-T251 HydrophobicContact CG1-CG2 4.1Å; V247-T251 WeakPolarHBondContact O-CG2 3.48Å; V247-T251 PolarHBondContact O-N 2.83Å; V247-T251 PolarHBondContact O-OG1 3.25Å; V247-L293 HydrophobicContact CB-CD2 4.46Å; V247-L293 HydrophobicContact CG1-CB 4.19Å; V247-L293 HydrophobicContact CG1-CD2 3.99Å; V247-L293 HydrophobicContact CG2-CD2 4.27Å; V247-I305 HydrophobicContact CG2-CB 4.47Å; V247-I305 HydrophobicContact CG2-CG2 3.61Å; V247-T310 PolarHBondContact N-O 3.48Å; V247-I315 HydrophobicContact CG2-CD1 3.74Å
248	A	89.7	Confident	88.3	Confident	43 Å²	43	49.4 Å²	49.4	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-38.2	177.7	0	0	0	0	0	112.9	T246 T251 R252 G308	T246-A248 PolarHBondContact O-N 3.11Å; T246-A248 PolarHBondContact OG1-N 3.42Å; A248-T251 PolarHBondContact O-OG1 2.78Å; A248-R252 WeakPolarHBondContact O-CB 3.4Å; A248-R252 PolarHBondContact O-N 3.07Å; A248-G308 VanDerWaalsContact CB-O 3.27Å; A248-G308 WeakPolarHBondContact CB-O 3.37Å; A248-G308 PolarHBondContact N-O 3.32Å
249	H	91	Very high	87.8	Confident	108 Å²	108	49.4 Å²	49.4	50%	0.5	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-42.8	173.9	-62.8	142.7	0	0	0	111.4	L244 T246 V247 Y253	L244-H249 PolarHBondContact O-ND1 3.08Å; T246-H249 PolarHBondContact N-ND1 3.39Å; T246-H249 WeakPolarHBondContact O-CB 3.25Å; T246-H249 PolarHBondContact O-N 3.41Å; T246-H249 PolarHBondContact OG1-N 2.92Å; T246-H249 PolarHBondContact OG1-ND1 3.29Å; T246-H249 VanDerWaalsContact OG1-ND1 3.12Å; V247-H249 VanDerWaalsContact C-N 3.33Å; V247-H249 PolarHBondContact O-N 2.91Å; H249-Y253 WeakPolarHBondContact O-CB 3.41Å; H249-Y253 PolarHBondContact O-N 2.88Å
250	L	91.5	Very high	87.5	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-43.4	-179.5	-64.3	173.9	0	0	0	112.4	M216 L238 T246 V247 Y253 V254 L293 L312 L328	M216-L250 HydrophobicContact CE-CB 4.05Å; L238-L250 HydrophobicContact CD1-CD2 4.22Å; L238-L250 HydrophobicContact CD2-CD2 4.4Å; T246-L250 WeakPolarHBondContact O-CG 3.41Å; T246-L250 PolarHBondContact O-N 3.39Å; V247-L250 PolarHBondContact O-N 3.46Å; V247-L250 VanDerWaalsContact O-N 3.16Å; L250-Y253 WeakPolarHBondContact O-CB 3.31Å; L250-Y253 PolarHBondContact O-N 3.27Å; L250-V254 WeakPolarHBondContact O-CG2 3.36Å; L250-V254 PolarHBondContact O-N 3.29Å; L250-L293 HydrophobicContact CB-CD2 4.25Å; L250-L293 HydrophobicContact CD1-CD2 4Å; L250-L312 HydrophobicContact CD1-CD1 4.33Å; L250-L328 HydrophobicContact CD1-CD1 3.77Å
251	T	91.7	Very high	87.1	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-42	177.1	57.3	0	0	0	0	111.3	V247 A248 Y253 V254 V255 A288 C291 L293	V247-T251 HydrophobicContact CG1-CG2 4.1Å; V247-T251 WeakPolarHBondContact O-CG2 3.48Å; V247-T251 PolarHBondContact O-N 2.83Å; V247-T251 PolarHBondContact O-OG1 3.25Å; A248-T251 PolarHBondContact O-OG1 2.78Å; T251-Y253 VanDerWaalsContact C-N 3.32Å; T251-Y253 PolarHBondContact O-N 2.83Å; T251-V254 PolarHBondContact O-N 2.72Å; T251-V255 WeakPolarHBondContact O-CG2 3.4Å; T251-V255 PolarHBondContact O-N 2.91Å; T251-A288 PolarHBondContact OG1-O 3.41Å; T251-C291 HydrophobicContact CG2-CB 4.16Å; T251-L293 HydrophobicContact CG2-CB 4.34Å
252	R	88.9	Confident	86.4	Confident	126 Å²	126	44.6 Å²	44.6	48%	0.475	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-43.8	173.6	-174.3	-180	-173.9	151.2	12.6	111.6	A248 M256 I284 E285 A288	A248-R252 WeakPolarHBondContact O-CB 3.4Å; A248-R252 PolarHBondContact O-N 3.07Å; R252-M256 WeakPolarHBondContact O-CB 3.35Å; R252-M256 PolarHBondContact O-N 3.5Å; R252-I284 HydrophobicContact CG-CG2 4.37Å; R252-E285 IonicContact CZ-OE1 3.06Å; R252-E285 IonicContact NH1-OE1 3.65Å; R252-E285 PolarHBondContact NH1-OE1 3.19Å; R252-E285 IonicContact NH2-OE1 3.96Å; R252-E285 PolarHBondContact NH2-OE1 3.07Å; R252-A288 HydrophobicContact CB-CB 4.35Å
253	Y	90.3	Very high	85.7	Confident	67 Å²	67	45.2 Å²	45.2	26%	0.263	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-48.5	176.1	166.1	-97.3	0	0	0	111.8	R236 L238 H249 L250 T251 M256 R257	R236-Y253 HydrophobicContact CB-CE1 4.33Å; L238-Y253 HydrophobicContact CB-CE1 4.42Å; L238-Y253 HydrophobicContact CD2-CD1 3.5Å; L238-Y253 HydrophobicContact CD2-CE1 3.31Å; L238-Y253 HydrophobicContact CD2-CG 4.29Å; L238-Y253 HydrophobicContact CG-CE1 4.47Å; H249-Y253 WeakPolarHBondContact O-CB 3.41Å; H249-Y253 PolarHBondContact O-N 2.88Å; L250-Y253 WeakPolarHBondContact O-CB 3.31Å; L250-Y253 PolarHBondContact O-N 3.27Å; T251-Y253 VanDerWaalsContact C-N 3.32Å; T251-Y253 PolarHBondContact O-N 2.83Å; Y253-M256 HydrophobicContact CD2-CE 4.33Å; Y253-R257 VanDerWaalsContact O-CB 3.23Å; Y253-R257 WeakPolarHBondContact O-CB 3.39Å; Y253-R257 PolarHBondContact O-N 2.85Å
254	V	88.9	Confident	85.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-51.2	179.9	171.6	0	0	0	0	110.8	M216 L250 T251 M256 R257 V258 F330 L332	M216-V254 HydrophobicContact CB-CG2 4.31Å; M216-V254 HydrophobicContact CE-CG2 3.37Å; M216-V254 HydrophobicContact CG-CG2 4.33Å; L250-V254 WeakPolarHBondContact O-CG2 3.36Å; L250-V254 PolarHBondContact O-N 3.29Å; T251-V254 PolarHBondContact O-N 2.72Å; V254-M256 PolarHBondContact O-N 3.36Å; V254-R257 PolarHBondContact O-N 2.78Å; V254-V258 HydrophobicContact CG1-CG2 4.15Å; V254-V258 WeakPolarHBondContact O-CG2 3.32Å; V254-V258 PolarHBondContact O-N 3.41Å; V254-F330 HydrophobicContact CG1-CB 4.43Å; V254-F330 HydrophobicContact CG1-CD1 4.1Å; V254-F330 HydrophobicContact CG1-CD2 3.57Å; V254-F330 HydrophobicContact CG1-CE1 4.26Å; V254-F330 HydrophobicContact CG1-CE2 3.76Å; V254-F330 HydrophobicContact CG1-CG 3.76Å; V254-F330 HydrophobicContact CG1-CZ 4.11Å; V254-F330 HydrophobicContact CG2-CD1 4.18Å; V254-F330 HydrophobicContact CG2-CG 4.32Å; V254-L332 HydrophobicContact CG1-CD2 4.14Å
255	V	87.8	Confident	84.2	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-47.5	-178.7	171.5	0	0	0	0	111.4	T251 R257 V258 Q259 I284 K287 A288 C291 L332 F336	T251-V255 WeakPolarHBondContact O-CG2 3.4Å; T251-V255 PolarHBondContact O-N 2.91Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 2.67Å; V255-V258 PolarHBondContact O-N 3.11Å; V255-Q259 WeakPolarHBondContact O-CB 3.47Å; V255-Q259 PolarHBondContact O-N 3.15Å; V255-I284 HydrophobicContact CG1-CG2 4.06Å; V255-K287 HydrophobicContact CG1-CB 3.75Å; V255-A288 HydrophobicContact CB-CB 4.47Å; V255-A288 HydrophobicContact CG2-CB 4.24Å; V255-C291 HydrophobicContact CG2-CB 4.04Å; V255-L332 HydrophobicContact CG2-CD2 4.09Å; V255-F336 HydrophobicContact CG1-CE2 3.84Å; V255-F336 HydrophobicContact CG1-CZ 4.43Å
256	M	84.2	Confident	83	Confident	78 Å²	78	47.9 Å²	47.9	38%	0.384	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-45.2	176.1	179.7	-164.4	73.9	0	0	111.2	R252 Y253 V254 Q259 L260 I284	R252-M256 WeakPolarHBondContact O-CB 3.35Å; R252-M256 PolarHBondContact O-N 3.5Å; Y253-M256 HydrophobicContact CD2-CE 4.33Å; V254-M256 PolarHBondContact O-N 3.36Å; M256-Q259 PolarHBondContact O-N 2.83Å; M256-L260 HydrophobicContact CG-CD1 4.46Å; M256-L260 WeakPolarHBondContact O-CG 3.22Å; M256-L260 PolarHBondContact O-N 3.48Å; M256-I284 HydrophobicContact CB-CG2 4.46Å
257	R	85.5	Confident	81.6	Confident	101 Å²	101	55.6 Å²	55.6	38%	0.381	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-39.1	-176	-170.8	68.8	-152.9	-175	0.3	112.4	Y253 V254 V255 Q259 L260 D261	Y253-R257 VanDerWaalsContact O-CB 3.23Å; Y253-R257 WeakPolarHBondContact O-CB 3.39Å; Y253-R257 PolarHBondContact O-N 2.85Å; V254-R257 PolarHBondContact O-N 2.78Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 2.67Å; R257-Q259 VanDerWaalsContact C-N 3.33Å; R257-L260 PolarHBondContact O-N 2.92Å; R257-D261 IonicContact CZ-OD1 2.89Å; R257-D261 IonicContact NE-OD1 3.25Å; R257-D261 PolarHBondContact NE-OD1 3.14Å; R257-D261 IonicContact NH2-OD1 3.84Å; R257-D261 PolarHBondContact NH2-OD1 2.89Å; R257-D261 PolarHBondContact O-N 2.77Å; R257-D261 VanDerWaalsContact O-N 3.09Å
258	V	82.8	Confident	80	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-43.2	174.4	-175	0	0	0	0	109.8	Y231 I232 R236 V254 V255 L260 D261 T262 L332 F336	Y231-V258 HydrophobicContact CD2-CG1 4.16Å; Y231-V258 HydrophobicContact CE2-CG1 4.09Å; I232-V258 HydrophobicContact CD1-CG1 4.4Å; I232-V258 HydrophobicContact CG1-CG1 4.02Å; R236-V258 VanDerWaalsContact NH2-CG2 3.32Å; V254-V258 HydrophobicContact CG1-CG2 4.15Å; V254-V258 WeakPolarHBondContact O-CG2 3.32Å; V254-V258 PolarHBondContact O-N 3.41Å; V255-V258 PolarHBondContact O-N 3.11Å; V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 PolarHBondContact O-N 3.41Å; V258-D261 PolarHBondContact O-N 3.1Å; V258-D261 VanDerWaalsContact O-N 3.16Å; V258-T262 PolarHBondContact O-N 3.49Å; V258-T262 PolarHBondContact O-OG1 3.2Å; V258-T262 VanDerWaalsContact O-OG1 3.05Å; V258-L332 HydrophobicContact CB-CD1 4.47Å; V258-L332 HydrophobicContact CG1-CD1 4.14Å; V258-L332 HydrophobicContact CG2-CD1 3.94Å; V258-F336 HydrophobicContact CB-CE1 3.86Å; V258-F336 HydrophobicContact CB-CZ 4.19Å; V258-F336 HydrophobicContact CG1-CD1 4.2Å; V258-F336 HydrophobicContact CG1-CE1 3.41Å; V258-F336 VanDerWaalsContact CG1-CE1 3.41Å; V258-F336 HydrophobicContact CG1-CZ 4.21Å
259	Q	79.2	Confident	78.4	Confident	27 Å²	27	61.5 Å²	61.5	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-43	175.9	-173.8	67.8	44.5	0	0	112.1	V255 M256 R257 D261 T262 D263 F336	V255-Q259 WeakPolarHBondContact O-CB 3.47Å; V255-Q259 PolarHBondContact O-N 3.15Å; M256-Q259 PolarHBondContact O-N 2.83Å; R257-Q259 VanDerWaalsContact C-N 3.33Å; Q259-D261 VanDerWaalsContact C-N 3.34Å; Q259-D261 PolarHBondContact O-N 3.18Å; Q259-T262 WeakPolarHBondContact O-CB 3.29Å; Q259-T262 PolarHBondContact O-N 2.98Å; Q259-D263 PolarHBondContact NE2-OD1 3.37Å; Q259-D263 WeakPolarHBondContact O-CB 3.33Å; Q259-D263 VanDerWaalsContact O-CG 3.22Å; Q259-D263 PolarHBondContact O-N 3.05Å; Q259-F336 HydrophobicContact CB-CZ 4.41Å
260	L	79.3	Confident	76.6	Confident	83 Å²	83	64 Å²	64	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-40.1	176.3	-71.9	171.4	0	0	0	112.5	M256 R257 V258 K264	M256-L260 HydrophobicContact CG-CD1 4.46Å; M256-L260 WeakPolarHBondContact O-CG 3.22Å; M256-L260 PolarHBondContact O-N 3.48Å; R257-L260 PolarHBondContact O-N 2.92Å; V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 PolarHBondContact O-N 3.41Å; L260-K264 WeakPolarHBondContact O-CB 3.18Å; L260-K264 PolarHBondContact O-N 3.47Å
261	D	79.6	Confident	74.7	Confident	26 Å²	26	70.1 Å²	70.1	14%	0.139	34%	0.336	C	S	.	.	H	α-helix	trans	-71.5	-35.8	177.9	-60.7	-29.5	0	0	0	111.1	Y231 R236 R257 V258 Q259 K264 A265	Y231-D261 HydrophobicContact CD2-CB 4.06Å; Y231-D261 HydrophobicContact CG-CB 4.06Å; R236-D261 IonicContact CZ-OD2 3.72Å; R236-D261 VanDerWaalsContact CZ-OD2 3.27Å; R236-D261 IonicContact NH1-OD2 3.29Å; R236-D261 PolarHBondContact NH1-OD2 3.13Å; R236-D261 IonicContact NH2-OD2 3.81Å; R236-D261 PolarHBondContact NH2-OD2 3.18Å; R257-D261 IonicContact CZ-OD1 2.89Å; R257-D261 IonicContact NE-OD1 3.25Å; R257-D261 PolarHBondContact NE-OD1 3.14Å; R257-D261 IonicContact NH2-OD1 3.84Å; R257-D261 PolarHBondContact NH2-OD1 2.89Å; R257-D261 PolarHBondContact O-N 2.77Å; R257-D261 VanDerWaalsContact O-N 3.09Å; V258-D261 PolarHBondContact O-N 3.1Å; V258-D261 VanDerWaalsContact O-N 3.16Å; Q259-D261 VanDerWaalsContact C-N 3.34Å; Q259-D261 PolarHBondContact O-N 3.18Å; D261-K264 PolarHBondContact O-N 3.14Å; D261-A265 PolarHBondContact O-N 3.39Å
262	T	74.3	Confident	72.9	Confident	19 Å²	19	74.3 Å²	74.3	12%	0.117	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-49.9	170.8	-61.4	0	0	0	0	111.2	Y231 V258 Q259 K264 A265 Y266	Y231-T262 WeakPolarHBondContact CE2-OG1 3.45Å; Y231-T262 PolarHBondContact OH-OG1 3.24Å; V258-T262 PolarHBondContact O-N 3.49Å; V258-T262 PolarHBondContact O-OG1 3.2Å; V258-T262 VanDerWaalsContact O-OG1 3.05Å; Q259-T262 WeakPolarHBondContact O-CB 3.29Å; Q259-T262 PolarHBondContact O-N 2.98Å; T262-K264 PolarHBondContact O-N 3.4Å; T262-A265 PolarHBondContact O-N 3.04Å; T262-A265 VanDerWaalsContact O-N 3.12Å; T262-Y266 HydrophobicContact CG2-CD2 3.64Å; T262-Y266 HydrophobicContact CG2-CE2 3.53Å; T262-Y266 VanDerWaalsContact O-CD2 3.28Å; T262-Y266 WeakPolarHBondContact O-CD2 3.46Å; T262-Y266 PolarHBondContact O-N 2.92Å
263	D	69.9	Low	71.1	Confident	27 Å²	27	74.9 Å²	74.9	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-36.9	178.6	-70.1	-3.7	0	0	0	111.2	Q259 R267	Q259-D263 PolarHBondContact NE2-OD1 3.37Å; Q259-D263 WeakPolarHBondContact O-CB 3.33Å; Q259-D263 VanDerWaalsContact O-CG 3.22Å; Q259-D263 PolarHBondContact O-N 3.05Å; D263-R267 WeakPolarHBondContact O-CB 3.35Å; D263-R267 WeakPolarHBondContact O-CG 3.47Å; D263-R267 PolarHBondContact O-N 3.5Å
264	K	72.2	Confident	69	Low	139 Å²	139	76 Å²	76	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-46.3	173.8	-171.7	-176.7	176.8	-170.7	0	111.4	L260 D261 T262 Y266 R267 D268	L260-K264 WeakPolarHBondContact O-CB 3.18Å; L260-K264 PolarHBondContact O-N 3.47Å; D261-K264 PolarHBondContact O-N 3.14Å; T262-K264 PolarHBondContact O-N 3.4Å; K264-Y266 VanDerWaalsContact C-N 3.32Å; K264-Y266 PolarHBondContact O-N 3.43Å; K264-R267 PolarHBondContact O-N 2.61Å; K264-D268 PolarHBondContact O-N 3.46Å
265	A	67.6	Low	66.9	Low	46 Å²	46	77.3 Å²	77.3	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-38.2	178.9	0	0	0	0	0	112.6	Y231 D261 T262	Y231-A265 HydrophobicContact CD1-CB 4.44Å; Y231-A265 HydrophobicContact CE1-CB 4.1Å; D261-A265 PolarHBondContact O-N 3.39Å; T262-A265 PolarHBondContact O-N 3.04Å; T262-A265 VanDerWaalsContact O-N 3.12Å
266	Y	65	Low	65	Low	71 Å²	71	81.1 Å²	81.1	28%	0.278	41%	0.412	S	S	.	.	H	α-helix	trans	-75	-27	176.3	-80.7	-71.2	0	0	0	113.8	T262 K264 D268 S269	T262-Y266 HydrophobicContact CG2-CD2 3.64Å; T262-Y266 HydrophobicContact CG2-CE2 3.53Å; T262-Y266 VanDerWaalsContact O-CD2 3.28Å; T262-Y266 WeakPolarHBondContact O-CD2 3.46Å; T262-Y266 PolarHBondContact O-N 2.92Å; K264-Y266 VanDerWaalsContact C-N 3.32Å; K264-Y266 PolarHBondContact O-N 3.43Å; Y266-D268 PolarHBondContact O-N 3.4Å; Y266-S269 WeakPolarHBondContact CA-OG 3.44Å; Y266-S269 PolarHBondContact O-N 3.39Å; Y266-S269 PolarHBondContact O-OG 3.28Å
267	R	62.3	Low	63.3	Low	183 Å²	183	86.1 Å²	86.1	69%	0.691	43%	0.427	S	S	*	.	H	α-helix	trans	-67.3	-27.6	174.7	-79.4	172.3	-176.4	-153.8	3.3	112.8	D263 K264 S269	D263-R267 WeakPolarHBondContact O-CB 3.35Å; D263-R267 WeakPolarHBondContact O-CG 3.47Å; D263-R267 PolarHBondContact O-N 3.5Å; K264-R267 PolarHBondContact O-N 2.61Å; R267-S269 VanDerWaalsContact C-N 3.35Å
268	D	59.1	Low	61.7	Low	134 Å²	134	85.2 Å²	85.2	72%	0.717	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.5	177.5	-65.7	-17	0	0	0	112.3	K264 Y266	K264-D268 PolarHBondContact O-N 3.46Å; Y266-D268 PolarHBondContact O-N 3.4Å
269	S	55.4	Low	59.9	Low	43 Å²	43	87.5 Å²	87.5	30%	0.301	44%	0.435	S	S	.	.	S	Bend	trans	-101.4	132.3	172.4	61.1	0	0	0	0	110.8	Y266 R267 D271	Y266-S269 WeakPolarHBondContact CA-OG 3.44Å; Y266-S269 PolarHBondContact O-N 3.39Å; Y266-S269 PolarHBondContact O-OG 3.28Å; R267-S269 VanDerWaalsContact C-N 3.35Å; S269-D271 PolarHBondContact O-N 2.89Å
270	D	53.4	Low	58.2	Low	159 Å²	159	87.8 Å²	87.8	85%	0.85	45%	0.445	S	S	*	.	S	Bend	trans	-61.6	-6.1	-176.3	-76	-39.2	0	0	0	115.4	Q272	D270-Q272 PolarHBondContact O-N 3.26Å
271	D	51.5	Low	56.7	Low	135 Å²	135	85.7 Å²	85.7	72%	0.722	44%	0.44	S	S	*	.			trans	-82.5	72.4	177.9	-79.2	-29.7	0	0	0	113.1	S269 L273	S269-D271 PolarHBondContact O-N 2.89Å; D271-L273 VanDerWaalsContact C-N 3.35Å; D271-L273 PolarHBondContact O-N 2.96Å
272	Q	53.3	Low	55.3	Low	95 Å²	95	90.5 Å²	90.5	44%	0.444	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.3	-175.4	-65.1	-175	20.9	0	0	115.4	D270 E274	D270-Q272 PolarHBondContact O-N 3.26Å; Q272-E274 PolarHBondContact O-N 2.86Å
273	L	51.2	Low	54.9	Low	139 Å²	139	90.5 Å²	90.5	73%	0.728	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.2	-169.8	-153.9	72.5	0	0	0	113.8	D271	D271-L273 VanDerWaalsContact C-N 3.35Å; D271-L273 PolarHBondContact O-N 2.96Å
274	E	47.4	Very low	55	Low	89 Å²	89	90.4 Å²	90.4	42%	0.416	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-27	-177.5	-152.8	63.2	-153.2	0	0	112.7	Q272 S276 R277	Q272-E274 PolarHBondContact O-N 2.86Å; E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 2.87Å; E274-R277 PolarHBondContact O-N 3.38Å
275	A	44.3	Very low	55.1	Low	28 Å²	28	88.3 Å²	88.3	23%	0.231	47%	0.465	C	S	.	.	H	α-helix	trans	-62.8	-34.6	-179.4	0	0	0	0	0	112.3	R277 L279	A275-R277 VanDerWaalsContact C-N 3.34Å; A275-R277 PolarHBondContact O-N 3.1Å; A275-L279 WeakPolarHBondContact O-CD1 3.35Å
276	S	46.9	Very low	55.6	Low	81 Å²	81	91.7 Å²	91.7	57%	0.566	47%	0.473	S	S	*	.	H	α-helix	trans	-70.9	-25.1	-179.9	-67.9	0	0	0	0	114	E274	E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 2.87Å
277	R	49.6	Very low	56.3	Low	183 Å²	183	90.5 Å²	90.5	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-80.4	-24.4	-178.8	-64.3	-173.9	-157.2	-157.4	5.2	113.6	E274 A275	E274-R277 PolarHBondContact O-N 3.38Å; A275-R277 VanDerWaalsContact C-N 3.34Å; A275-R277 PolarHBondContact O-N 3.1Å
278	R	51.3	Low	57.3	Low	83 Å²	83	82.2 Å²	82.2	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-96	-15.8	-174.1	-72.7	-176.3	169.8	153.2	2.6	114.8	G280 D340	R278-G280 PolarHBondContact O-N 2.89Å; R278-D340 IonicContact CZ-OD2 3.97Å; R278-D340 IonicContact NE-OD2 2.84Å; R278-D340 IonicContact NH2-OD2 3.51Å; R278-D340 PolarHBondContact NH2-OD2 2.97Å
279	L	45.8	Very low	58.5	Low	48 Å²	48	85.5 Å²	85.5	25%	0.251	44%	0.443	S	S	.	.			trans	-68.8	117.6	171.7	-86.2	83.7	0	0	0	108.1	R133 A275	R133-L279 PolarHBondContact NH2-O 3.33Å; A275-L279 WeakPolarHBondContact O-CD1 3.35Å
280	G	43.6	Very low	59.9	Low	32 Å²	32	88.4 Å²	88.4	33%	0.33	45%	0.451	S	S	.	.			trans	-161.3	114.5	170.2	0	0	0	0	0	105.2	R278 V282 G283	R278-G280 PolarHBondContact O-N 2.89Å; G280-V282 PolarHBondContact O-N 3.43Å; G280-G283 PolarHBondContact O-N 3.2Å
281	A	46.6	Very low	61.5	Low	40 Å²	40	81.3 Å²	81.3	33%	0.331	41%	0.414	S	S	.	.	H	α-helix	trans	-52.2	-29.1	174.1	0	0	0	0	0	111.1	Y137 G283 I284	Y137-A281 HydrophobicContact CE1-CB 3.7Å; Y137-A281 VanDerWaalsContact OH-CA 3.31Å; Y137-A281 WeakPolarHBondContact OH-CA 3.29Å; Y137-A281 WeakPolarHBondContact OH-CB 3.41Å; Y137-A281 PolarHBondContact OH-N 2.81Å; A281-G283 PolarHBondContact O-N 2.89Å; A281-I284 PolarHBondContact O-N 3.17Å; A281-I284 VanDerWaalsContact O-N 3.14Å
282	V	49.7	Very low	63.4	Low	127 Å²	127	78.4 Å²	78.4	77%	0.77	40%	0.396	S	S	*	.	H	α-helix	trans	-52.5	-33.8	173.7	-170.4	0	0	0	0	112.3	G280	G280-V282 PolarHBondContact O-N 3.43Å
283	G	66.2	Low	65.3	Low	18 Å²	18	74 Å²	74	19%	0.186	38%	0.375	C	S	.	.	H	α-helix	trans	-79.4	-26.1	-179.6	0	0	0	0	0	114.7	G280 A281 K287	G280-G283 PolarHBondContact O-N 3.2Å; A281-G283 PolarHBondContact O-N 2.89Å; G283-K287 WeakPolarHBondContact O-CB 3.29Å; G283-K287 WeakPolarHBondContact O-CD 3.38Å; G283-K287 WeakPolarHBondContact O-CG 3.04Å; G283-K287 PolarHBondContact O-N 3.28Å
284	I	73.8	Confident	67.2	Low	25 Å²	25	68.1 Å²	68.1	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-45.3	-172.6	-63.2	176.1	0	0	0	110.7	Y137 R252 V255 M256 A281 K287 A288	Y137-I284 HydrophobicContact CE1-CD1 4.33Å; R252-I284 HydrophobicContact CG-CG2 4.37Å; V255-I284 HydrophobicContact CG1-CG2 4.06Å; M256-I284 HydrophobicContact CB-CG2 4.46Å; A281-I284 PolarHBondContact O-N 3.17Å; A281-I284 VanDerWaalsContact O-N 3.14Å; I284-K287 PolarHBondContact O-N 3.03Å; I284-A288 WeakPolarHBondContact O-CB 3.49Å; I284-A288 PolarHBondContact O-N 2.96Å
285	E	74.2	Confident	69.2	Low	95 Å²	95	63.9 Å²	63.9	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-43.1	-178.3	-63.6	-164.5	162.9	0	0	111.5	R252 A288 R289	R252-E285 IonicContact CZ-OE1 3.06Å; R252-E285 IonicContact NH1-OE1 3.65Å; R252-E285 PolarHBondContact NH1-OE1 3.19Å; R252-E285 IonicContact NH2-OE1 3.96Å; R252-E285 PolarHBondContact NH2-OE1 3.07Å; E285-A288 PolarHBondContact O-N 3.46Å; E285-R289 WeakPolarHBondContact O-CG 3.36Å; E285-R289 PolarHBondContact O-N 2.97Å
286	E	78.2	Confident	71.1	Confident	117 Å²	117	65.5 Å²	65.5	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-46.9	175.2	-173.6	176.6	-172.8	0	0	111.5	A288 R289 H290	E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 2.96Å; E286-R289 WeakPolarHBondContact O-CB 3.49Å; E286-R289 PolarHBondContact O-N 3.01Å; E286-H290 PolarHBondContact O-N 3Å; E286-H290 PolarHBondContact O-ND1 2.79Å
287	K	77.9	Confident	72.6	Confident	47 Å²	47	62.7 Å²	62.7	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-35.9	177.4	-69.8	166.1	169.5	-165.7	0	111.9	V255 G283 I284 R289 H290 C291 F336	V255-K287 HydrophobicContact CG1-CB 3.75Å; G283-K287 WeakPolarHBondContact O-CB 3.29Å; G283-K287 WeakPolarHBondContact O-CD 3.38Å; G283-K287 WeakPolarHBondContact O-CG 3.04Å; G283-K287 PolarHBondContact O-N 3.28Å; I284-K287 PolarHBondContact O-N 3.03Å; K287-R289 VanDerWaalsContact C-N 3.33Å; K287-R289 PolarHBondContact O-N 3.12Å; K287-H290 PolarHBondContact O-N 3.36Å; K287-C291 PolarHBondContact O-N 2.94Å; K287-F336 HydrophobicContact CB-CD2 4.25Å; K287-F336 HydrophobicContact CB-CE2 4.36Å; K287-F336 HydrophobicContact CD-CD2 3.68Å; K287-F336 HydrophobicContact CD-CE2 3.61Å; K287-F336 HydrophobicContact CG-CD2 4.14Å; K287-F336 HydrophobicContact CG-CE2 4.4Å
288	A	83.9	Confident	73.6	Confident	9 Å²	9	58.2 Å²	58.2	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-30.1	176.4	0	0	0	0	0	113	T251 R252 V255 I284 E285 E286 H290 C291	T251-A288 PolarHBondContact OG1-O 3.41Å; R252-A288 HydrophobicContact CB-CB 4.35Å; V255-A288 HydrophobicContact CB-CB 4.47Å; V255-A288 HydrophobicContact CG2-CB 4.24Å; I284-A288 WeakPolarHBondContact O-CB 3.49Å; I284-A288 PolarHBondContact O-N 2.96Å; E285-A288 PolarHBondContact O-N 3.46Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 2.96Å; A288-H290 VanDerWaalsContact C-N 3.25Å; A288-H290 PolarHBondContact O-N 2.96Å; A288-C291 PolarHBondContact O-N 3.33Å
289	R	83.6	Confident	74.7	Confident	203 Å²	203	59.9 Å²	59.9	77%	0.766	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-28.7	172.8	-70.8	174.6	-168.4	180	5.2	112.8	E285 E286 K287	E285-R289 WeakPolarHBondContact O-CG 3.36Å; E285-R289 PolarHBondContact O-N 2.97Å; E286-R289 WeakPolarHBondContact O-CB 3.49Å; E286-R289 PolarHBondContact O-N 3.01Å; K287-R289 VanDerWaalsContact C-N 3.33Å; K287-R289 PolarHBondContact O-N 3.12Å
290	H	84.9	Confident	76.1	Confident	103 Å²	103	64.1 Å²	64.1	48%	0.477	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.8	179.3	-59.9	99.5	0	0	0	113.1	E286 K287 A288 P333	E286-H290 PolarHBondContact O-N 3Å; E286-H290 PolarHBondContact O-ND1 2.79Å; K287-H290 PolarHBondContact O-N 3.36Å; A288-H290 VanDerWaalsContact C-N 3.25Å; A288-H290 PolarHBondContact O-N 2.96Å; H290-P333 HydrophobicContact CB-CB 4.23Å; H290-P333 HydrophobicContact CB-CG 3.51Å
291	C	87.8	Confident	78.1	Confident	10 Å²	10	68.2 Å²	68.2	7%	0.068	37%	0.37	C	S	.	.			trans	-81.9	122.7	175	-178.1	0	0	0	0	109.7	T251 V255 K287 A288 R331	T251-C291 HydrophobicContact CG2-CB 4.16Å; V255-C291 HydrophobicContact CG2-CB 4.04Å; K287-C291 PolarHBondContact O-N 2.94Å; A288-C291 PolarHBondContact O-N 3.33Å; C291-R331 WeakPolarHBondContact CA-O 3.42Å; C291-R331 PolarHBondContact SG-O 3.14Å
292	E	91.1	Very high	80	Confident	74 Å²	74	67.9 Å²	67.9	35%	0.346	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.1	-179.8	-59.5	178.3	149.5	0	0	110	F294 L304 F330 R331	E292-F294 HydrophobicContact CB-CD2 4.48Å; E292-F294 HydrophobicContact CB-CE2 3.55Å; E292-F294 HydrophobicContact CB-CZ 3.86Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.45Å; E292-L304 HydrophobicContact CB-CD1 3.75Å; E292-L304 HydrophobicContact CG-CD1 4.21Å; E292-F330 CarbonylContact O-C 3.57Å; E292-F330 VanDerWaalsContact O-CA 3.26Å; E292-F330 WeakPolarHBondContact O-CA 3.2Å; E292-R331 HydrophobicContact CB-CB 4.22Å; E292-R331 PolarHBondContact N-O 3.48Å; E292-R331 PolarHBondContact O-N 3.37Å; E292-R331 WeakPolarHBondContact OE2-CD 3.47Å; E292-R331 IonicContact OE2-CZ 2.87Å; E292-R331 IonicContact OE2-NH1 3.3Å; E292-R331 PolarHBondContact OE2-NH1 3.02Å
293	L	92.6	Very high	81.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.7	177.3	-167.2	66.8	0	0	0	110.1	M216 V247 L250 T251 I305 L328 Y329 F330	M216-L293 HydrophobicContact CE-CD1 3.4Å; M216-L293 HydrophobicContact SD-CD1 4.17Å; V247-L293 HydrophobicContact CB-CD2 4.46Å; V247-L293 HydrophobicContact CG1-CB 4.19Å; V247-L293 HydrophobicContact CG1-CD2 3.99Å; V247-L293 HydrophobicContact CG2-CD2 4.27Å; L250-L293 HydrophobicContact CB-CD2 4.25Å; L250-L293 HydrophobicContact CD1-CD2 4Å; T251-L293 HydrophobicContact CG2-CB 4.34Å; L293-I305 HydrophobicContact CD2-CD1 4.37Å; L293-I305 HydrophobicContact CG-CD1 4.28Å; L293-I305 WeakPolarHBondContact O-CB 3.4Å; L293-I305 PolarHBondContact O-N 2.83Å; L293-L328 HydrophobicContact CD1-CB 3.95Å; L293-L328 HydrophobicContact CD2-CD1 4.13Å; L293-L328 HydrophobicContact CG-CB 4.43Å; L293-Y329 CarbonylContact C-O 3.44Å; L293-Y329 WeakPolarHBondContact CA-O 3.21Å; L293-F330 HydrophobicContact CD1-CB 4.3Å
294	F	91.6	Very high	83.1	Confident	17 Å²	17	66.8 Å²	66.8	8%	0.075	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.9	-176.3	-56.3	-99.9	0	0	0	110.7	H219 E292 L302 T303 L304 L328 Y329 R331	H219-F294 AromaticContact CD2-CD2 3.89Å; H219-F294 AromaticContact CD2-CE2 3.86Å; E292-F294 HydrophobicContact CB-CD2 4.48Å; E292-F294 HydrophobicContact CB-CE2 3.55Å; E292-F294 HydrophobicContact CB-CZ 3.86Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.45Å; F294-L302 HydrophobicContact CB-CB 4.16Å; F294-L302 HydrophobicContact CB-CD2 4.4Å; F294-L302 HydrophobicContact CD1-CB 4.29Å; F294-L302 HydrophobicContact CG-CB 4.47Å; F294-T303 CarbonylContact C-O 3.52Å; F294-T303 VanDerWaalsContact CA-O 3.25Å; F294-T303 WeakPolarHBondContact CA-O 3.49Å; F294-L304 HydrophobicContact CD1-CB 4.11Å; F294-L304 HydrophobicContact CD1-CD1 4.33Å; F294-L304 HydrophobicContact CE1-CB 3.92Å; F294-L304 HydrophobicContact CE1-CD1 3.87Å; F294-L304 HydrophobicContact CE1-CG 4.5Å; F294-L304 HydrophobicContact CE2-CD1 4.32Å; F294-L304 HydrophobicContact CZ-CD1 3.84Å; F294-L328 WeakPolarHBondContact O-CA 3.5Å; F294-Y329 WeakPolarHBondContact CD2-O 3.1Å; F294-Y329 PolarHBondContact N-O 3.26Å; F294-Y329 PolarHBondContact O-N 3.44Å; F294-R331 HydrophobicContact CE2-CB 3.98Å
295	G	88.9	Confident	83.8	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.8	167.9	0	0	0	0	0	110.5	A297 T303	G295-A297 PolarHBondContact O-N 3.05Å; G295-T303 PolarHBondContact N-O 3.27Å; G295-T303 PolarHBondContact O-N 3.25Å
296	L	85.2	Confident	84.2	Confident	61 Å²	61	65.8 Å²	65.8	32%	0.319	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115	173.7	-167.5	69.1	0	0	0	109.6	L302 Y329	L296-L302 HydrophobicContact CD1-CD2 3.88Å; L296-Y329 HydrophobicContact CB-CE2 4.45Å
297	A	77.6	Confident	84.2	Confident	22 Å²	22	62.1 Å²	62.1	18%	0.182	35%	0.348	C	S	.	.			trans	-80.7	161.6	172.9	0	0	0	0	0	110.9	G295 N299 N300 H301	G295-A297 PolarHBondContact O-N 3.05Å; A297-N299 VanDerWaalsContact CB-OD1 3.28Å; A297-N299 WeakPolarHBondContact CB-OD1 3.36Å; A297-N299 PolarHBondContact O-N 3.22Å; A297-N300 PolarHBondContact O-N 3.02Å; A297-H301 WeakPolarHBondContact CB-O 3.36Å; A297-H301 PolarHBondContact N-O 3.48Å
298	G	70.3	Confident	84.2	Confident	90 Å²	90	61.8 Å²	61.8	93%	0.928	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11	-175.2	0	0	0	0	0	115.9	N300	G298-N300 VanDerWaalsContact C-N 3.33Å
299	N	75.8	Confident	84.4	Confident	118 Å²	118	66 Å²	66	63%	0.631	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	16.4	172.6	63	-14	0	0	0	113	A297 H301	A297-N299 VanDerWaalsContact CB-OD1 3.28Å; A297-N299 WeakPolarHBondContact CB-OD1 3.36Å; A297-N299 PolarHBondContact O-N 3.22Å; N299-H301 PolarHBondContact O-N 3.11Å; N299-H301 VanDerWaalsContact O-N 3.12Å; N299-H301 WeakPolarHBondContact OD1-CB 3.4Å; N299-H301 PolarHBondContact OD1-N 3.15Å; N299-H301 VanDerWaalsContact OD1-N 3.13Å
300	N	74.8	Confident	84.6	Confident	136 Å²	136	57.5 Å²	57.5	73%	0.727	36%	0.357	S	S	*	.	S	Bend	trans	57.6	17.4	-171.9	-67.3	-11.3	0	0	0	114.4	A297 G298	A297-N300 PolarHBondContact O-N 3.02Å; G298-N300 VanDerWaalsContact C-N 3.33Å
301	H	84.5	Confident	84.9	Confident	119 Å²	119	54.1 Å²	54.1	55%	0.551	34%	0.343	S	S	*	.			trans	-91.5	130	176.6	-165.7	-81	0	0	0	110.5	A297 N299 T303	A297-H301 WeakPolarHBondContact CB-O 3.36Å; A297-H301 PolarHBondContact N-O 3.48Å; N299-H301 PolarHBondContact O-N 3.11Å; N299-H301 VanDerWaalsContact O-N 3.12Å; N299-H301 WeakPolarHBondContact OD1-CB 3.4Å; N299-H301 PolarHBondContact OD1-N 3.15Å; N299-H301 VanDerWaalsContact OD1-N 3.13Å; H301-T303 PolarHBondContact O-N 3.01Å
302	L	87.8	Confident	84.9	Confident	32 Å²	32	53.6 Å²	53.6	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.5	172.5	-68.6	176.6	0	0	0	109.5	P220 F294 L296 Y329	P220-L302 HydrophobicContact CG-CD1 3.92Å; F294-L302 HydrophobicContact CB-CB 4.16Å; F294-L302 HydrophobicContact CB-CD2 4.4Å; F294-L302 HydrophobicContact CD1-CB 4.29Å; F294-L302 HydrophobicContact CG-CB 4.47Å; L296-L302 HydrophobicContact CD1-CD2 3.88Å; L302-Y329 HydrophobicContact CD1-CD1 4.38Å; L302-Y329 HydrophobicContact CD1-CG 4.26Å; L302-Y329 HydrophobicContact CD2-CD1 4.32Å; L302-Y329 HydrophobicContact CD2-CD2 3.27Å; L302-Y329 HydrophobicContact CD2-CE2 3.61Å; L302-Y329 HydrophobicContact CD2-CG 3.68Å
303	T	89.2	Confident	84.6	Confident	48 Å²	48	54.3 Å²	54.3	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.7	-178.5	-53.4	0	0	0	0	109.6	F294 G295 H301 I305 Y319	F294-T303 CarbonylContact C-O 3.52Å; F294-T303 VanDerWaalsContact CA-O 3.25Å; F294-T303 WeakPolarHBondContact CA-O 3.49Å; G295-T303 PolarHBondContact N-O 3.27Å; G295-T303 PolarHBondContact O-N 3.25Å; H301-T303 PolarHBondContact O-N 3.01Å; T303-I305 PolarHBondContact O-N 2.84Å; T303-Y319 HydrophobicContact CG2-CE1 4.1Å
304	L	90.5	Very high	84.4	Confident	74 Å²	74	59.3 Å²	59.3	39%	0.387	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.2	176.5	-175.8	68.5	0	0	0	110.3	E292 F294 S306	E292-L304 HydrophobicContact CB-CD1 3.75Å; E292-L304 HydrophobicContact CG-CD1 4.21Å; F294-L304 HydrophobicContact CD1-CB 4.11Å; F294-L304 HydrophobicContact CD1-CD1 4.33Å; F294-L304 HydrophobicContact CE1-CB 3.92Å; F294-L304 HydrophobicContact CE1-CD1 3.87Å; F294-L304 HydrophobicContact CE1-CG 4.5Å; F294-L304 HydrophobicContact CE2-CD1 4.32Å; F294-L304 HydrophobicContact CZ-CD1 3.84Å; L304-S306 PolarHBondContact O-N 3.22Å
305	I	89.3	Confident	84.2	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.051	37%	0.365	C	S	.	.			trans	-91.7	98	175.6	-54.8	175	0	0	0	107.4	V247 L293 T303 T310 I315 Y319 L328	V247-I305 HydrophobicContact CG2-CB 4.47Å; V247-I305 HydrophobicContact CG2-CG2 3.61Å; L293-I305 HydrophobicContact CD2-CD1 4.37Å; L293-I305 HydrophobicContact CG-CD1 4.28Å; L293-I305 WeakPolarHBondContact O-CB 3.4Å; L293-I305 PolarHBondContact O-N 2.83Å; T303-I305 PolarHBondContact O-N 2.84Å; I305-T310 HydrophobicContact CG2-CG2 4.28Å; I305-I315 HydrophobicContact CD1-CD1 4.05Å; I305-I315 HydrophobicContact CD1-CG1 4.21Å; I305-I315 HydrophobicContact CD1-CG2 3.73Å; I305-I315 HydrophobicContact CG2-CD1 4.15Å; I305-I315 HydrophobicContact CG2-CG1 4.03Å; I305-Y319 HydrophobicContact CD1-CE2 4.42Å; I305-Y319 HydrophobicContact CG1-CE2 4Å; I305-L328 HydrophobicContact CD1-CD2 3.93Å
306	S	81.6	Confident	84	Confident	89 Å²	89	59.4 Å²	59.4	62%	0.622	37%	0.369	S	S	*	.			trans	-72.8	147.9	177.4	-50.5	0	0	0	0	111.8	L304 T310	L304-S306 PolarHBondContact O-N 3.22Å; S306-T310 PolarHBondContact O-OG1 3.38Å
307	G	78.5	Confident	84	Confident	41 Å²	41	60.7 Å²	60.7	42%	0.423	38%	0.376	S	S	.	.			trans	88.9	113	172.3	0	0	0	0	0	113.7	S309 T310	G307-S309 PolarHBondContact O-N 2.92Å; G307-T310 WeakPolarHBondContact O-CB 3.35Å; G307-T310 PolarHBondContact O-N 3.4Å; G307-T310 VanDerWaalsContact O-N 3.15Å; G307-T310 PolarHBondContact O-OG1 3.3Å; G307-T310 VanDerWaalsContact O-OG1 3.12Å
308	G	79.3	Confident	84.2	Confident	39 Å²	39	66.9 Å²	66.9	40%	0.402	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.7	177.2	0	0	0	0	0	114.1	T246 A248	T246-G308 VanDerWaalsContact CB-O 3.29Å; T246-G308 WeakPolarHBondContact CB-O 3.38Å; T246-G308 PolarHBondContact OG1-O 2.81Å; A248-G308 VanDerWaalsContact CB-O 3.27Å; A248-G308 WeakPolarHBondContact CB-O 3.37Å; A248-G308 PolarHBondContact N-O 3.32Å
309	S	86.9	Confident	84.5	Confident	98 Å²	98	64.4 Å²	64.4	69%	0.685	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	178.3	52.3	0	0	0	0	114.2	G307 T311	G307-S309 PolarHBondContact O-N 2.92Å; S309-T311 PolarHBondContact O-N 3.46Å
310	T	88.6	Confident	84.1	Confident	25 Å²	25	59.5 Å²	59.5	15%	0.153	34%	0.338	C	S	.	.			trans	-61.9	120.6	178.9	-57.7	0	0	0	0	109.3	T246 V247 I305 S306 G307 M314 I315	T246-T310 CarbonylContact C-O 3.6Å; T246-T310 VanDerWaalsContact CA-O 3.25Å; T246-T310 WeakPolarHBondContact CA-O 3.34Å; V247-T310 PolarHBondContact N-O 3.48Å; I305-T310 HydrophobicContact CG2-CG2 4.28Å; S306-T310 PolarHBondContact O-OG1 3.38Å; G307-T310 WeakPolarHBondContact O-CB 3.35Å; G307-T310 PolarHBondContact O-N 3.4Å; G307-T310 VanDerWaalsContact O-N 3.15Å; G307-T310 PolarHBondContact O-OG1 3.3Å; G307-T310 VanDerWaalsContact O-OG1 3.12Å; T310-M314 HydrophobicContact CG2-CB 3.87Å; T310-M314 HydrophobicContact CG2-CE 4.44Å; T310-M314 HydrophobicContact CG2-SD 4.32Å; T310-I315 HydrophobicContact CG2-CG1 3.88Å
311	T	90.4	Very high	83.8	Confident	31 Å²	31	64 Å²	64	19%	0.19	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-76.3	155.7	-179.1	65.8	0	0	0	0	111.2	A245 T246 S309 E313 M314 I315	A245-T311 CarbonylContact O-C 3.52Å; A245-T311 VanDerWaalsContact O-CA 3.32Å; A245-T311 WeakPolarHBondContact O-CA 3.47Å; T246-T311 HydrophobicContact CG2-CG2 4.39Å; S309-T311 PolarHBondContact O-N 3.46Å; T311-E313 PolarHBondContact O-N 3.45Å; T311-M314 WeakPolarHBondContact O-CB 3.5Å; T311-M314 PolarHBondContact O-N 3.33Å; T311-M314 VanDerWaalsContact OG1-CG 3.3Å; T311-M314 WeakPolarHBondContact OG1-CG 3.29Å; T311-M314 PolarHBondContact OG1-N 2.9Å; T311-I315 WeakPolarHBondContact O-CG1 3.34Å; T311-I315 PolarHBondContact O-N 3.49Å
312	L	87.5	Confident	82.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-34	175.2	-179.2	63.6	0	0	0	111	V214 T240 P242 A245 L250 I315 M316 I326 L328	V214-L312 HydrophobicContact CG2-CD1 4.2Å; V214-L312 HydrophobicContact CG2-CD2 3.54Å; T240-L312 HydrophobicContact CG2-CD2 3.61Å; P242-L312 PolarHBondContact O-N 2.69Å; A245-L312 HydrophobicContact CB-CB 4.07Å; A245-L312 HydrophobicContact CB-CD2 4.37Å; A245-L312 PolarHBondContact O-N 3.45Å; L250-L312 HydrophobicContact CD1-CD1 4.33Å; L312-I315 HydrophobicContact CD1-CD1 4.49Å; L312-I315 WeakPolarHBondContact O-CB 3.24Å; L312-I315 PolarHBondContact O-N 3.37Å; L312-M316 HydrophobicContact CG-CG 4.4Å; L312-M316 HydrophobicContact CG-SD 4.24Å; L312-M316 WeakPolarHBondContact O-CB 3.29Å; L312-M316 WeakPolarHBondContact O-CG 3.47Å; L312-M316 PolarHBondContact O-N 3.44Å; L312-I326 HydrophobicContact CD1-CD1 4.26Å; L312-I326 HydrophobicContact CD1-CG2 4Å; L312-L328 HydrophobicContact CD1-CD1 4.27Å
313	E	86.2	Confident	81.7	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-44.7	171.6	-174.8	171.5	-167.3	0	0	112.5	P242 T311 I315 M316 N317	P242-E313 HydrophobicContact CB-CB 4.28Å; P242-E313 WeakPolarHBondContact O-CB 3.28Å; P242-E313 PolarHBondContact O-N 3.4Å; T311-E313 PolarHBondContact O-N 3.45Å; E313-I315 VanDerWaalsContact C-N 3.34Å; E313-I315 PolarHBondContact O-N 3.26Å; E313-M316 PolarHBondContact O-N 2.99Å; E313-N317 WeakPolarHBondContact O-CB 3.46Å; E313-N317 VanDerWaalsContact O-CG 3.27Å; E313-N317 PolarHBondContact O-N 3Å; E313-N317 PolarHBondContact O-ND2 2.98Å
314	M	87.4	Confident	80.8	Confident	108 Å²	108	74.7 Å²	74.7	53%	0.532	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-41.4	174.3	-68.9	168.1	78.6	0	0	111.6	T310 T311 N317 K318	T310-M314 HydrophobicContact CG2-CB 3.87Å; T310-M314 HydrophobicContact CG2-CE 4.44Å; T310-M314 HydrophobicContact CG2-SD 4.32Å; T311-M314 WeakPolarHBondContact O-CB 3.5Å; T311-M314 PolarHBondContact O-N 3.33Å; T311-M314 VanDerWaalsContact OG1-CG 3.3Å; T311-M314 WeakPolarHBondContact OG1-CG 3.29Å; T311-M314 PolarHBondContact OG1-N 2.9Å; M314-N317 PolarHBondContact O-N 3.45Å; M314-K318 WeakPolarHBondContact O-CB 3.47Å; M314-K318 PolarHBondContact O-N 3.27Å
315	I	87.1	Confident	80.4	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-63.3	-45.4	176.3	-59	169.7	0	0	0	110.3	V247 I305 T310 T311 L312 E313 N317 K318 Y319 I326 L328	V247-I315 HydrophobicContact CG2-CD1 3.74Å; I305-I315 HydrophobicContact CD1-CD1 4.05Å; I305-I315 HydrophobicContact CD1-CG1 4.21Å; I305-I315 HydrophobicContact CD1-CG2 3.73Å; I305-I315 HydrophobicContact CG2-CD1 4.15Å; I305-I315 HydrophobicContact CG2-CG1 4.03Å; T310-I315 HydrophobicContact CG2-CG1 3.88Å; T311-I315 WeakPolarHBondContact O-CG1 3.34Å; T311-I315 PolarHBondContact O-N 3.49Å; L312-I315 HydrophobicContact CD1-CD1 4.49Å; L312-I315 WeakPolarHBondContact O-CB 3.24Å; L312-I315 PolarHBondContact O-N 3.37Å; E313-I315 VanDerWaalsContact C-N 3.34Å; E313-I315 PolarHBondContact O-N 3.26Å; I315-N317 VanDerWaalsContact C-N 3.34Å; I315-N317 PolarHBondContact O-N 3.42Å; I315-K318 PolarHBondContact O-N 3.06Å; I315-Y319 HydrophobicContact CG2-CD2 3.84Å; I315-Y319 PolarHBondContact O-N 3.43Å; I315-I326 HydrophobicContact CG2-CD1 3.77Å; I315-L328 HydrophobicContact CG2-CD2 3.82Å
316	M	85.5	Confident	80.3	Confident	17 Å²	17	74.3 Å²	74.3	8%	0.084	39%	0.389	C	S	.	.	I	π-helix	trans	-62.3	-40.6	179.8	-75.4	174	70.3	0	0	112.4	V212 P242 L312 E313 A320 R321 R322 T324 I326	V212-M316 HydrophobicContact CB-SD 4.28Å; V212-M316 HydrophobicContact CG1-CE 4Å; V212-M316 HydrophobicContact CG1-SD 3.91Å; V212-M316 HydrophobicContact CG2-CE 3.81Å; V212-M316 HydrophobicContact CG2-SD 3.91Å; P242-M316 HydrophobicContact CB-SD 3.86Å; L312-M316 HydrophobicContact CG-CG 4.4Å; L312-M316 HydrophobicContact CG-SD 4.24Å; L312-M316 WeakPolarHBondContact O-CB 3.29Å; L312-M316 WeakPolarHBondContact O-CG 3.47Å; L312-M316 PolarHBondContact O-N 3.44Å; E313-M316 PolarHBondContact O-N 2.99Å; M316-A320 CarbonylContact O-C 3.48Å; M316-A320 PolarHBondContact O-N 3.48Å; M316-R321 PolarHBondContact O-N 2.64Å; M316-R322 PolarHBondContact O-N 3.24Å; M316-T324 HydrophobicContact CE-CG2 4.06Å; M316-I326 HydrophobicContact CG-CD1 3.81Å
317	N	84.5	Confident	80.6	Confident	88 Å²	88	73.6 Å²	73.6	47%	0.471	38%	0.376	S	S	.	.	I	π-helix	trans	-68.5	-34.8	177.2	-71.7	-27.7	0	0	0	111.7	E313 M314 I315	E313-N317 WeakPolarHBondContact O-CB 3.46Å; E313-N317 VanDerWaalsContact O-CG 3.27Å; E313-N317 PolarHBondContact O-N 3Å; E313-N317 PolarHBondContact O-ND2 2.98Å; M314-N317 PolarHBondContact O-N 3.45Å; I315-N317 VanDerWaalsContact C-N 3.34Å; I315-N317 PolarHBondContact O-N 3.42Å
318	K	82.5	Confident	81.2	Confident	152 Å²	152	71.7 Å²	71.7	66%	0.661	36%	0.356	S	S	*	.	I	π-helix	trans	-83.9	-45.7	-177.5	-172.8	173.5	177.1	-165.4	0	114.1	M314 I315	M314-K318 WeakPolarHBondContact O-CB 3.47Å; M314-K318 PolarHBondContact O-N 3.27Å; I315-K318 PolarHBondContact O-N 3.06Å
319	Y	77	Confident	81.9	Confident	38 Å²	38	71.2 Å²	71.2	15%	0.149	34%	0.342	C	S	.	.	I	π-helix	trans	-109.2	-35.5	-169.4	-60.3	-81	0	0	0	113.3	T303 I305 I315	T303-Y319 HydrophobicContact CG2-CE1 4.1Å; I305-Y319 HydrophobicContact CD1-CE2 4.42Å; I305-Y319 HydrophobicContact CG1-CE2 4Å; I315-Y319 HydrophobicContact CG2-CD2 3.84Å; I315-Y319 PolarHBondContact O-N 3.43Å
320	A	67.9	Low	82.2	Confident	16 Å²	16	66.6 Å²	66.6	13%	0.132	31%	0.31	C	S	.	.	I	π-helix	trans	-99.9	-6.4	-166	0	0	0	0	0	115.3	M316 R322 K323 I326	M316-A320 CarbonylContact O-C 3.48Å; M316-A320 PolarHBondContact O-N 3.48Å; A320-R322 PolarHBondContact O-N 3.49Å; A320-K323 VanDerWaalsContact O-CB 3.32Å; A320-K323 WeakPolarHBondContact O-CB 3.49Å; A320-K323 WeakPolarHBondContact O-CG 3.36Å; A320-K323 PolarHBondContact O-N 3.08Å; A320-I326 HydrophobicContact CB-CB 4.47Å; A320-I326 HydrophobicContact CB-CD1 3.72Å; A320-I326 HydrophobicContact CB-CG1 3.87Å
321	R	66.7	Low	82.3	Confident	230 Å²	230	68.8 Å²	68.8	87%	0.868	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	38.7	-170.2	-64.6	-172.7	-179.3	177.4	1.3	112.2	M316 K323	M316-R321 PolarHBondContact O-N 2.64Å; R321-K323 PolarHBondContact O-N 3.28Å
322	R	61.2	Low	82	Confident	176 Å²	176	67.6 Å²	67.6	66%	0.664	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.3	-175.2	-55.7	-177.6	172.7	-171.6	-3.9	116.2	M316 A320	M316-R322 PolarHBondContact O-N 3.24Å; A320-R322 PolarHBondContact O-N 3.49Å
323	K	66.9	Low	81.5	Confident	160 Å²	160	68.3 Å²	68.3	70%	0.696	31%	0.312	S	S	*	.			trans	-67.8	131.1	167.7	-68.4	-175.2	177.9	-176.1	0	109.7	A320 R321	A320-K323 VanDerWaalsContact O-CB 3.32Å; A320-K323 WeakPolarHBondContact O-CB 3.49Å; A320-K323 WeakPolarHBondContact O-CG 3.36Å; A320-K323 PolarHBondContact O-N 3.08Å; R321-K323 PolarHBondContact O-N 3.28Å
324	T	71.9	Confident	80.6	Confident	87 Å²	87	72.5 Å²	72.5	53%	0.534	33%	0.329	S	S	.	.	S	Bend	trans	-125	136.8	176.9	59.8	0	0	0	0	109.4	V212 M316	V212-T324 HydrophobicContact CG1-CG2 3.63Å; V212-T324 HydrophobicContact CG2-CG2 4.37Å; M316-T324 HydrophobicContact CE-CG2 4.06Å
325	P	82.3	Confident	79.5	Confident	70 Å²	70	72.6 Å²	72.6	46%	0.455	33%	0.328	S	S	.	.	S	Bend	cis	-70.7	148.3	0.5	31.2	-35.1	0	0	0	112.2	G213 I215	G213-P325 CarbonylContact O-C 3.51Å; G213-P325 WeakPolarHBondContact O-CA 3.29Å; G213-P325 WeakPolarHBondContact O-CB 3.29Å; I215-P325 HydrophobicContact CD1-CB 4.02Å; I215-P325 HydrophobicContact CD1-CG 3.57Å; I215-P325 HydrophobicContact CG1-CB 3.98Å; I215-P325 HydrophobicContact CG1-CG 4.11Å
326	I	86.2	Confident	78.3	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.9	174.4	-176.8	171.8	0	0	0	109.4	V212 G213 V214 I215 L312 I315 M316 A320 L328	V212-I326 HydrophobicContact CG1-CG2 4.32Å; G213-I326 PolarHBondContact O-N 3.34Å; V214-I326 WeakPolarHBondContact CA-O 3.47Å; V214-I326 HydrophobicContact CB-CG2 4.12Å; V214-I326 HydrophobicContact CG1-CG2 4.11Å; V214-I326 HydrophobicContact CG2-CG2 3.72Å; I215-I326 PolarHBondContact N-O 2.66Å; L312-I326 HydrophobicContact CD1-CD1 4.26Å; L312-I326 HydrophobicContact CD1-CG2 4Å; I315-I326 HydrophobicContact CG2-CD1 3.77Å; M316-I326 HydrophobicContact CG-CD1 3.81Å; A320-I326 HydrophobicContact CB-CB 4.47Å; A320-I326 HydrophobicContact CB-CD1 3.72Å; A320-I326 HydrophobicContact CB-CG1 3.87Å; I326-L328 HydrophobicContact CD1-CD2 4.01Å; I326-L328 HydrophobicContact CD1-CG 4.49Å; I326-L328 HydrophobicContact CG1-CD2 4.08Å; I326-L328 HydrophobicContact CG1-CG 4.28Å
327	E	88.3	Confident	77.1	Confident	74 Å²	74	73.4 Å²	73.4	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.3	176.6	-55.7	-163.5	157	0	0	110.1	I215 R217	I215-E327 HydrophobicContact CB-CG 4.35Å; I215-E327 HydrophobicContact CD1-CG 4.23Å; R217-E327 IonicContact CZ-OE1 2.75Å; R217-E327 IonicContact NH1-OE1 2.82Å; R217-E327 PolarHBondContact NH1-OE1 3.09Å; R217-E327 IonicContact NH1-OE2 3.27Å; R217-E327 PolarHBondContact NH1-OE2 3.5Å
328	L	91.7	Very high	75.5	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.2	177.1	-57.9	175.8	0	0	0	108.7	V214 I215 M216 R217 L250 L293 F294 I305 L312 I315 I326	V214-L328 HydrophobicContact CG1-CD1 3.86Å; V214-L328 HydrophobicContact CG1-CG 4.35Å; I215-L328 PolarHBondContact O-N 2.93Å; M216-L328 CarbonylContact C-O 3.51Å; M216-L328 WeakPolarHBondContact CA-O 3.36Å; M216-L328 HydrophobicContact SD-CB 3.89Å; M216-L328 HydrophobicContact SD-CD1 4.09Å; R217-L328 PolarHBondContact N-O 3.3Å; L250-L328 HydrophobicContact CD1-CD1 3.77Å; L293-L328 HydrophobicContact CD1-CB 3.95Å; L293-L328 HydrophobicContact CD2-CD1 4.13Å; L293-L328 HydrophobicContact CG-CB 4.43Å; F294-L328 WeakPolarHBondContact O-CA 3.5Å; I305-L328 HydrophobicContact CD1-CD2 3.93Å; L312-L328 HydrophobicContact CD1-CD1 4.27Å; I315-L328 HydrophobicContact CG2-CD2 3.82Å; I326-L328 HydrophobicContact CD1-CD2 4.01Å; I326-L328 HydrophobicContact CD1-CG 4.49Å; I326-L328 HydrophobicContact CG1-CD2 4.08Å; I326-L328 HydrophobicContact CG1-CG 4.28Å
329	Y	93	Very high	73.6	Confident	30 Å²	30	69.8 Å²	69.8	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.5	-178.8	-63.6	-103.9	0	0	0	109.7	R217 L293 F294 L296 L302	R217-Y329 HydrophobicContact CB-CD1 3.71Å; R217-Y329 HydrophobicContact CB-CE1 3.85Å; R217-Y329 HydrophobicContact CB-CG 4.34Å; R217-Y329 HydrophobicContact CG-CE1 4.45Å; R217-Y329 CarbonylContact O-C 3.5Å; R217-Y329 WeakPolarHBondContact O-CA 3.43Å; L293-Y329 CarbonylContact C-O 3.44Å; L293-Y329 WeakPolarHBondContact CA-O 3.21Å; F294-Y329 WeakPolarHBondContact CD2-O 3.1Å; F294-Y329 PolarHBondContact N-O 3.26Å; F294-Y329 PolarHBondContact O-N 3.44Å; L296-Y329 HydrophobicContact CB-CE2 4.45Å; L302-Y329 HydrophobicContact CD1-CD1 4.38Å; L302-Y329 HydrophobicContact CD1-CG 4.26Å; L302-Y329 HydrophobicContact CD2-CD1 4.32Å; L302-Y329 HydrophobicContact CD2-CD2 3.27Å; L302-Y329 HydrophobicContact CD2-CE2 3.61Å; L302-Y329 HydrophobicContact CD2-CG 3.68Å
330	F	92.5	Very high	71.7	Confident	1 Å²	1	74.5 Å²	74.5	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.6	178.7	67.9	-93.7	0	0	0	111.3	M216 R217 P218 H219 V254 E292 L293 L332	M216-F330 HydrophobicContact CB-CD1 4.07Å; M216-F330 HydrophobicContact CB-CE1 4.33Å; R217-F330 VanDerWaalsContact C-CD1 3.5Å; R217-F330 WeakPolarHBondContact O-CD1 3.3Å; R217-F330 WeakPolarHBondContact O-CE1 2.9Å; R217-F330 PolarHBondContact O-N 3.47Å; P218-F330 HydrophobicContact CB-CE1 4.43Å; P218-F330 HydrophobicContact CB-CE2 4.34Å; P218-F330 HydrophobicContact CB-CZ 3.98Å; H219-F330 WeakPolarHBondContact CB-O 3.3Å; H219-F330 PolarHBondContact N-O 3.39Å; V254-F330 HydrophobicContact CG1-CB 4.43Å; V254-F330 HydrophobicContact CG1-CD1 4.1Å; V254-F330 HydrophobicContact CG1-CD2 3.57Å; V254-F330 HydrophobicContact CG1-CE1 4.26Å; V254-F330 HydrophobicContact CG1-CE2 3.76Å; V254-F330 HydrophobicContact CG1-CG 3.76Å; V254-F330 HydrophobicContact CG1-CZ 4.11Å; V254-F330 HydrophobicContact CG2-CD1 4.18Å; V254-F330 HydrophobicContact CG2-CG 4.32Å; E292-F330 CarbonylContact O-C 3.57Å; E292-F330 VanDerWaalsContact O-CA 3.26Å; E292-F330 WeakPolarHBondContact O-CA 3.2Å; L293-F330 HydrophobicContact CD1-CB 4.3Å; F330-L332 HydrophobicContact CD2-CD2 4.47Å; F330-L332 HydrophobicContact CD2-CG 4.02Å; F330-L332 HydrophobicContact CE2-CD1 4.13Å; F330-L332 HydrophobicContact CE2-CG 4.02Å
331	R	90.8	Very high	69.9	Low	71 Å²	71	79.1 Å²	79.1	27%	0.268	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.4	165.8	-174.4	-176.9	-74.4	132.3	-5.7	108.8	H219 D221 I222 C291 E292 F294	H219-R331 HydrophobicContact CB-CB 4.19Å; H219-R331 PolarHBondContact CE1-NH2 3.01Å; H219-R331 PolarHBondContact ND1-NH2 3.2Å; H219-R331 PolarHBondContact NE2-NH2 2.96Å; H219-R331 VanDerWaalsContact NE2-NH2 3.11Å; D221-R331 IonicContact OD2-CZ 3.22Å; D221-R331 VanDerWaalsContact OD2-CZ 3.29Å; D221-R331 IonicContact OD2-NE 3.5Å; D221-R331 PolarHBondContact OD2-NE 2.79Å; D221-R331 IonicContact OD2-NH2 3.83Å; D221-R331 PolarHBondContact OD2-NH2 2.85Å; I222-R331 HydrophobicContact CD1-CG 4.05Å; C291-R331 WeakPolarHBondContact CA-O 3.42Å; C291-R331 PolarHBondContact SG-O 3.14Å; E292-R331 HydrophobicContact CB-CB 4.22Å; E292-R331 PolarHBondContact N-O 3.48Å; E292-R331 PolarHBondContact O-N 3.37Å; E292-R331 WeakPolarHBondContact OE2-CD 3.47Å; E292-R331 IonicContact OE2-CZ 2.87Å; E292-R331 IonicContact OE2-NH1 3.3Å; E292-R331 PolarHBondContact OE2-NH1 3.02Å; F294-R331 HydrophobicContact CE2-CB 3.98Å
332	L	85.4	Confident	68.2	Low	5 Å²	5	74 Å²	74	3%	0.026	38%	0.376	C	S	.	.			trans	-84.6	150.2	173.6	-69.6	170.8	0	0	0	110.1	I232 V254 V255 V258 F330 F336 L337	I232-L332 HydrophobicContact CG2-CD1 3.92Å; V254-L332 HydrophobicContact CG1-CD2 4.14Å; V255-L332 HydrophobicContact CG2-CD2 4.09Å; V258-L332 HydrophobicContact CB-CD1 4.47Å; V258-L332 HydrophobicContact CG1-CD1 4.14Å; V258-L332 HydrophobicContact CG2-CD1 3.94Å; F330-L332 HydrophobicContact CD2-CD2 4.47Å; F330-L332 HydrophobicContact CD2-CG 4.02Å; F330-L332 HydrophobicContact CE2-CD1 4.13Å; F330-L332 HydrophobicContact CE2-CG 4.02Å; L332-F336 HydrophobicContact CB-CB 4.41Å; L332-F336 HydrophobicContact CD1-CD1 4.06Å; L332-F336 HydrophobicContact CD1-CE1 4.49Å; L332-L337 HydrophobicContact CB-CD2 4.14Å; L332-L337 HydrophobicContact CB-CG 4.49Å; L332-L337 HydrophobicContact CD1-CD2 4.06Å
333	P	75.8	Confident	66.7	Low	15 Å²	15	75.9 Å²	75.9	10%	0.097	39%	0.389	C	S	.	.			trans	-58.8	143	173.5	-20.4	31.6	0	0	0	111.4	H290 H335 F336	H290-P333 HydrophobicContact CB-CB 4.23Å; H290-P333 HydrophobicContact CB-CG 3.51Å; P333-H335 WeakPolarHBondContact CB-CE1 3.4Å; P333-H335 WeakPolarHBondContact CB-ND1 3.07Å; P333-H335 PolarHBondContact O-N 3.39Å; P333-F336 WeakPolarHBondContact O-CA 3.49Å; P333-F336 WeakPolarHBondContact O-CB 3.49Å; P333-F336 PolarHBondContact O-N 2.97Å
334	K	68.5	Low	64.9	Low	177 Å²	177	72.3 Å²	72.3	77%	0.77	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-57.2	-35.2	-178.7	-68.1	-177.4	180	177.4	0	113.4	F336 L337	K334-F336 PolarHBondContact O-N 3.23Å; K334-L337 PolarHBondContact O-N 3.09Å
335	H	63.9	Low	62.9	Low	110 Å²	110	76.1 Å²	76.1	51%	0.509	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17	176.2	64.7	-105.2	0	0	0	113.3	P333 L337	P333-H335 WeakPolarHBondContact CB-CE1 3.4Å; P333-H335 WeakPolarHBondContact CB-ND1 3.07Å; P333-H335 PolarHBondContact O-N 3.39Å; H335-L337 VanDerWaalsContact C-N 3.29Å
336	F	62.7	Low	60.5	Low	23 Å²	23	81.7 Å²	81.7	10%	0.101	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-77.6	-21	174.5	-154.9	-78.3	0	0	0	111.6	V255 V258 Q259 K287 L332 P333 K334	V255-F336 HydrophobicContact CG1-CE2 3.84Å; V255-F336 HydrophobicContact CG1-CZ 4.43Å; V258-F336 HydrophobicContact CB-CE1 3.86Å; V258-F336 HydrophobicContact CB-CZ 4.19Å; V258-F336 HydrophobicContact CG1-CD1 4.2Å; V258-F336 HydrophobicContact CG1-CE1 3.41Å; V258-F336 VanDerWaalsContact CG1-CE1 3.41Å; V258-F336 HydrophobicContact CG1-CZ 4.21Å; Q259-F336 HydrophobicContact CB-CZ 4.41Å; K287-F336 HydrophobicContact CB-CD2 4.25Å; K287-F336 HydrophobicContact CB-CE2 4.36Å; K287-F336 HydrophobicContact CD-CD2 3.68Å; K287-F336 HydrophobicContact CD-CE2 3.61Å; K287-F336 HydrophobicContact CG-CD2 4.14Å; K287-F336 HydrophobicContact CG-CE2 4.4Å; L332-F336 HydrophobicContact CB-CB 4.41Å; L332-F336 HydrophobicContact CD1-CD1 4.06Å; L332-F336 HydrophobicContact CD1-CE1 4.49Å; P333-F336 WeakPolarHBondContact O-CA 3.49Å; P333-F336 WeakPolarHBondContact O-CB 3.49Å; P333-F336 PolarHBondContact O-N 2.97Å; K334-F336 PolarHBondContact O-N 3.23Å
337	L	58.5	Low	58.1	Low	12 Å²	12	89.8 Å²	89.8	6%	0.063	46%	0.464	C	S	.	.	S	Bend	trans	-102.4	-6.1	-165.2	-57.3	176.6	0	0	0	114.2	I222 Y228 I232 L332 K334 H335	I222-L337 HydrophobicContact CD1-CD1 4.32Å; I222-L337 HydrophobicContact CG1-CD1 4.48Å; Y228-L337 HydrophobicContact CD1-CB 3.65Å; Y228-L337 HydrophobicContact CD1-CD1 3.98Å; Y228-L337 HydrophobicContact CD1-CD2 4.12Å; Y228-L337 HydrophobicContact CD1-CG 4.12Å; Y228-L337 HydrophobicContact CE1-CB 3.32Å; Y228-L337 HydrophobicContact CE1-CD1 3.36Å; Y228-L337 HydrophobicContact CE1-CD2 4.3Å; Y228-L337 HydrophobicContact CE1-CG 3.81Å; Y228-L337 HydrophobicContact CE2-CD1 4.18Å; Y228-L337 VanDerWaalsContact CZ-CD1 3.44Å; I232-L337 HydrophobicContact CD1-CD2 3.53Å; I232-L337 HydrophobicContact CG2-CD2 3.74Å; L332-L337 HydrophobicContact CB-CD2 4.14Å; L332-L337 HydrophobicContact CB-CG 4.49Å; L332-L337 HydrophobicContact CD1-CD2 4.06Å; K334-L337 PolarHBondContact O-N 3.09Å; H335-L337 VanDerWaalsContact C-N 3.29Å
338	L	51	Low	55.5	Low	90 Å²	90	89.2 Å²	89.2	47%	0.471	48%	0.478	S	S	.	.	S	Bend	trans	-135.3	127.5	-179.5	-71.5	169.4	0	0	0	110.2	D340	L338-D340 PolarHBondContact O-N 3.38Å
339	P	44.4	Very low	52.8	Low	73 Å²	73	94.6 Å²	94.6	47%	0.474	52%	0.516	S	S	.	.			trans	-59.7	132.8	164.2	-14.4	28	0	0	0	108.6	S341	P339-S341 PolarHBondContact O-N 3.47Å
340	D	36.2	Very low	50.2	Low	138 Å²	138	101 Å²	101	74%	0.738	55%	0.551	S	S	*	*	S	Bend	trans	-48.3	98.4	177.7	-56.6	-65.9	0	0	0	112.3	R278 L338	R278-D340 IonicContact CZ-OD2 3.97Å; R278-D340 IonicContact NE-OD2 2.84Å; R278-D340 IonicContact NH2-OD2 3.51Å; R278-D340 PolarHBondContact NH2-OD2 2.97Å; L338-D340 PolarHBondContact O-N 3.38Å
341	S	29.4	Very low	47.3	Very low	113 Å²	113	105.9 Å²	105.9	79%	0.79	59%	0.586	S	S	*	*			trans	-134.3	54.5	163.1	-161.2	0	0	0	0	108.2	P339	P339-S341 PolarHBondContact O-N 3.47Å
342	V	32.7	Very low	44.8	Very low	122 Å²	122	107 Å²	107	74%	0.739	61%	0.61	S	S	*	*			trans	-149.9	77.5	159.2	-166.1	0	0	0	0	108.1
343	K	28.6	Very low	42.8	Very low	216 Å²	216	111 Å²	111	94%	0.939	64%	0.643	S	S	*	*			trans	-94.9	84.9	149.7	-82.7	-173.7	176.7	-178.2	0	106.7
344	S	28.8	Very low	41.1	Very low	84 Å²	84	118 Å²	118	59%	0.587	68%	0.68	S	S	*	*			trans	-163.4	126.2	160.1	44	0	0	0	0	108.9
345	L	30.6	Very low	40.1	Very low	167 Å²	167	113.8 Å²	113.8	87%	0.874	68%	0.678	S	S	*	*			trans	83.2	61.8	-178.1	-69	86	0	0	0	116.9
346	E	31.2	Very low	39.3	Very low	188 Å²	188	115.6 Å²	115.6	88%	0.879	69%	0.692	S	S	*	*			trans	-115.6	113.5	133.7	-69.3	-170.5	149.6	0	0	106.8
347	D	37.3	Very low	38.6	Very low	175 Å²	175	121.3 Å²	121.3	94%	0.936	72%	0.723	S	S	*	*			trans	171.3	118.7	162.4	-84.3	-23.3	0	0	0	103.4
348	G	32.5	Very low	38	Very low	63 Å²	63	127.5 Å²	127.5	65%	0.649	76%	0.755	S	S	*	*			cis	165.3	157.5	8.9	0	0	0	0	0	105.6
349	S	35.7	Very low	38	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	77%	0.766	S	S	*	*			trans	64.2	106.8	167.5	53.7	0	0	0	0	118.7
350	L	37.2	Very low	38.3	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	78%	0.779	S	S	*	*				65.5	95.3	82.1	-78	154.6	0	0	0	114.6
351	S	32.9	Very low	38.9	Very low	105 Å²	105	133 Å²	133	73%	0.734	82%	0.815	S	S	*	*			trans	26.6	123.5	136.2	62.3	0	0	0	0	120.1
352	A	37.4	Very low	39.4	Very low	95 Å²	95	134 Å²	134	79%	0.785	82%	0.816	S	S	*	*				149.1	137.5	104.7	0	0	0	0	0	112.7
353	A	43.1	Very low	39.8	Very low	87 Å²	87	134.6 Å²	134.6	72%	0.719	82%	0.82	S	S	*	*			trans	67.9	100	151.1	0	0	0	0	0	119.5
354	D	41	Very low	40.4	Very low	163 Å²	163	130.1 Å²	130.1	87%	0.872	81%	0.813	S	S	*	*				42.5	139.2	113.3	-61.6	-44.1	0	0	0	121.9
355	A	48	Very low	41.1	Very low	88 Å²	88	132.8 Å²	132.8	73%	0.727	83%	0.827	S	S	*	*			trans	89	92.3	148.5	0	0	0	0	0	117.9
356	D	45.9	Very low	41.7	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	82%	0.824	S	S	*	*				62	133.2	110.5	-88.6	-23	0	0	0	121.3
357	L	49.2	Very low	42.4	Very low	143 Å²	143	126.8 Å²	126.8	75%	0.749	82%	0.82	S	S	*	*			trans	86.1	103.7	143.6	-67.3	164.3	0	0	0	119.1
358	N	46.2	Very low	42.8	Very low	141 Å²	141	123.4 Å²	123.4	75%	0.754	81%	0.812	S	S	*	*				80	119.7	117.2	-117.9	24.2	0	0	0	119.9
359	D	49.9	Very low	43.6	Very low	129 Å²	129	128 Å²	128	69%	0.69	82%	0.824	S	S	*	*				98.4	113.2	121.8	-138.3	10.7	0	0	0	119.3
360	S	51.6	Low	44.2	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	83%	0.826	S	S	*	*			trans	55	110.7	138.3	-65.7	0	0	0	0	121.1
361	A	48.6	Very low	44.9	Very low	181 Å²	181	126.1 Å²	126.1	100%	1.496	82%	0.824	S	S	*	*				-164.1	0	114.2	0	0	0	0	0	110.2

Retrieved 361 of 361 residues in 98.1 ms (Link to these results)

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