A0A3Q0KD51_SCHMA Loading...

Large ribosomal subunit protein uL15m

AlphaFold DB , UniProt , Accession A0A3Q0KD51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 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	64	Low	89.3	Confident	181 Å²	181	95.2 Å²	95.2	89%	0.892	54%	0.535	S	S	*	.				0	122.4	0	-71.7	-174.3	173.6	0	0	108.9	K6	M1-K6 HydrophobicContact CB-CG 4Å
2	P	81.8	Confident	89.6	Confident	79 Å²	79	105.7 Å²	105.7	51%	0.513	56%	0.56	S	S	.	*			trans	-57.7	153.2	172.3	26.9	-33.5	0	0	0	110.1	V4 D5 K6	P2-V4 PolarHBondContact O-N 3.39Å; P2-D5 WeakPolarHBondContact CD-OD2 3.38Å; P2-D5 HydrophobicContact CG-CB 4.08Å; P2-D5 WeakPolarHBondContact CG-OD2 3.34Å; P2-D5 PolarHBondContact O-N 3.2Å; P2-D5 VanDerWaalsContact O-N 3.11Å; P2-K6 PolarHBondContact O-N 3.44Å
3	T	90.2	Very high	90	Very high	116 Å²	116	111.1 Å²	111.1	71%	0.712	58%	0.576	S	S	*	*	H	α-helix	trans	-55.4	-33.6	-176.8	42.6	0	0	0	0	112.6	K6 A7	T3-K6 PolarHBondContact O-N 2.75Å; T3-A7 PolarHBondContact O-N 3.49Å
4	V	92.6	Very high	90.1	Very high	92 Å²	92	114.3 Å²	114.3	56%	0.558	58%	0.578	S	S	*	*	H	α-helix	trans	-63.2	-47	176.6	-177.7	0	0	0	0	111.8	P2 K6 A7 L8	P2-V4 PolarHBondContact O-N 3.39Å; V4-K6 VanDerWaalsContact C-N 3.29Å; V4-K6 PolarHBondContact O-N 2.87Å; V4-A7 WeakPolarHBondContact O-CB 3.31Å; V4-A7 PolarHBondContact O-N 2.76Å; V4-A7 VanDerWaalsContact O-N 3.11Å; V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.16Å; V4-L8 PolarHBondContact O-N 3.08Å
5	D	93.6	Very high	90.3	Very high	78 Å²	78	113.5 Å²	113.5	42%	0.417	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-35.6	-179.7	-68	-14.1	0	0	0	111.9	P2 L8 A9	P2-D5 WeakPolarHBondContact CD-OD2 3.38Å; P2-D5 HydrophobicContact CG-CB 4.08Å; P2-D5 WeakPolarHBondContact CG-OD2 3.34Å; P2-D5 PolarHBondContact O-N 3.2Å; P2-D5 VanDerWaalsContact O-N 3.11Å; D5-L8 PolarHBondContact O-N 3.02Å; D5-A9 VanDerWaalsContact O-CB 3.28Å; D5-A9 WeakPolarHBondContact O-CB 3.42Å; D5-A9 PolarHBondContact O-N 2.72Å
6	K	94	Very high	90.5	Very high	122 Å²	122	120.6 Å²	120.6	53%	0.53	60%	0.601	S	S	.	*	H	α-helix	trans	-63.4	-43.8	172.8	-67.6	-176.5	-179.1	-179.9	0	111	M1 P2 T3 V4 A9 L10	M1-K6 HydrophobicContact CB-CG 4Å; P2-K6 PolarHBondContact O-N 3.44Å; T3-K6 PolarHBondContact O-N 2.75Å; V4-K6 VanDerWaalsContact C-N 3.29Å; V4-K6 PolarHBondContact O-N 2.87Å; K6-A9 PolarHBondContact O-N 3.4Å; K6-L10 WeakPolarHBondContact O-CB 3.33Å; K6-L10 VanDerWaalsContact O-CG 3.29Å; K6-L10 WeakPolarHBondContact O-CG 3.28Å; K6-L10 PolarHBondContact O-N 3.27Å
7	A	94.6	Very high	90.7	Very high	49 Å²	49	119.9 Å²	119.9	41%	0.405	60%	0.604	S	S	.	*	H	α-helix	trans	-62.5	-44.5	177.2	0	0	0	0	0	111.7	T3 V4 L10 L11	T3-A7 PolarHBondContact O-N 3.49Å; V4-A7 WeakPolarHBondContact O-CB 3.31Å; V4-A7 PolarHBondContact O-N 2.76Å; V4-A7 VanDerWaalsContact O-N 3.11Å; A7-L10 WeakPolarHBondContact O-CB 3.21Å; A7-L10 PolarHBondContact O-N 2.92Å; A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.88Å
8	L	93.8	Very high	90.9	Very high	94 Å²	94	115.4 Å²	115.4	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-65.1	-40.8	176.7	-68.6	174.9	0	0	0	112.5	V4 D5 L10 L11 R12	V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.16Å; V4-L8 PolarHBondContact O-N 3.08Å; D5-L8 PolarHBondContact O-N 3.02Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 2.8Å; L8-L11 HydrophobicContact CD2-CD1 4.36Å; L8-L11 PolarHBondContact O-N 3.3Å; L8-R12 PolarHBondContact O-N 3.25Å
9	A	93.5	Very high	91.2	Very high	43 Å²	43	115 Å²	115	36%	0.355	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-35.1	175.8	0	0	0	0	0	112.2	D5 K6	D5-A9 VanDerWaalsContact O-CB 3.28Å; D5-A9 WeakPolarHBondContact O-CB 3.42Å; D5-A9 PolarHBondContact O-N 2.72Å; K6-A9 PolarHBondContact O-N 3.4Å
10	L	92.9	Very high	91.4	Very high	87 Å²	87	117.4 Å²	117.4	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-67.4	-46.1	172.7	-76	172	0	0	0	111.4	K6 A7 L8 R12 K13 Y14	K6-L10 WeakPolarHBondContact O-CB 3.33Å; K6-L10 VanDerWaalsContact O-CG 3.29Å; K6-L10 WeakPolarHBondContact O-CG 3.28Å; K6-L10 PolarHBondContact O-N 3.27Å; A7-L10 WeakPolarHBondContact O-CB 3.21Å; A7-L10 PolarHBondContact O-N 2.92Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 2.8Å; L10-R12 PolarHBondContact O-N 3.27Å; L10-R12 VanDerWaalsContact O-N 3.16Å; L10-K13 WeakPolarHBondContact O-CB 3.49Å; L10-K13 PolarHBondContact O-N 2.71Å; L10-Y14 HydrophobicContact CB-CE2 4.19Å; L10-Y14 WeakPolarHBondContact O-CD2 3.47Å; L10-Y14 PolarHBondContact O-N 3.02Å
11	L	91.8	Very high	91.5	Very high	106 Å²	106	115.2 Å²	115.2	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-56.3	-33	178.9	-75.4	172.8	0	0	0	113	A7 L8 K13 Y14	A7-L11 WeakPolarHBondContact O-CG 3.46Å; A7-L11 PolarHBondContact O-N 2.88Å; L8-L11 HydrophobicContact CD2-CD1 4.36Å; L8-L11 PolarHBondContact O-N 3.3Å; L11-K13 PolarHBondContact O-N 2.99Å; L11-Y14 PolarHBondContact O-N 3.41Å
12	R	92.5	Very high	92.9	Very high	221 Å²	221	112.6 Å²	112.6	83%	0.834	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-22.4	174.8	-69.9	179.3	-177.6	167.4	1.6	114.1	L8 L10	L8-R12 PolarHBondContact O-N 3.25Å; L10-R12 PolarHBondContact O-N 3.27Å; L10-R12 VanDerWaalsContact O-N 3.16Å
13	K	94.6	Very high	93.4	Very high	176 Å²	176	113.9 Å²	113.9	77%	0.765	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-18.1	179.3	-61.8	-177.2	178.7	-175.9	0	113.1	L10 L11	L10-K13 WeakPolarHBondContact O-CB 3.49Å; L10-K13 PolarHBondContact O-N 2.71Å; L11-K13 PolarHBondContact O-N 2.99Å
14	Y	91.2	Very high	93.6	Very high	156 Å²	156	112.6 Å²	112.6	61%	0.612	58%	0.578	S	S	*	*	S	Bend	trans	-88.6	157.6	-179.4	-73.6	-70.9	0	0	0	111.3	L10 L11	L10-Y14 HydrophobicContact CB-CE2 4.19Å; L10-Y14 WeakPolarHBondContact O-CD2 3.47Å; L10-Y14 PolarHBondContact O-N 3.02Å; L11-Y14 PolarHBondContact O-N 3.41Å
15	P	93.9	Very high	93.7	Very high	102 Å²	102	115 Å²	115	66%	0.662	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.7	159	174.3	26.4	-35.6	0	0	0	111.4	V17	P15-V17 PolarHBondContact O-N 3.47Å
16	R	93.4	Very high	93.6	Very high	228 Å²	228	117.4 Å²	117.4	86%	0.86	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-54.7	133.2	176.8	180	177.6	-97.2	177.6	-6.2	110.3	S18 N21	R16-S18 PolarHBondContact O-N 3.43Å; R16-N21 PolarHBondContact O-ND2 3.02Å
17	V	93.5	Very high	93.4	Very high	108 Å²	108	115 Å²	115	66%	0.655	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-60	125.6	172.3	-178.7	0	0	0	0	108.6	P15	P15-V17 PolarHBondContact O-N 3.47Å
18	S	95.2	Very high	93.4	Very high	39 Å²	39	115.9 Å²	115.9	27%	0.273	62%	0.62	S	S	.	*			trans	-140.2	155.9	-176.1	61	0	0	0	0	108.9	R16 Q20 N21	R16-S18 PolarHBondContact O-N 3.43Å; S18-Q20 VanDerWaalsContact CB-OE1 3.28Å; S18-Q20 PolarHBondContact O-N 3.41Å; S18-Q20 PolarHBondContact OG-OE1 2.98Å; S18-N21 PolarHBondContact N-ND2 2.95Å; S18-N21 PolarHBondContact N-OD1 3.42Å; S18-N21 PolarHBondContact O-N 3.45Å; S18-N21 PolarHBondContact O-OD1 3.1Å
19	P	95.8	Very high	93.3	Very high	108 Å²	108	117.9 Å²	117.9	70%	0.701	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-52.4	-25.7	-179.3	-27.9	35.8	0	0	0	114.2
20	Q	95.1	Very high	93.1	Very high	163 Å²	163	121 Å²	121	76%	0.762	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-74	-22	179.3	-61.3	81.9	1.2	0	0	114.3	S18	S18-Q20 VanDerWaalsContact CB-OE1 3.28Å; S18-Q20 PolarHBondContact O-N 3.41Å; S18-Q20 PolarHBondContact OG-OE1 2.98Å
21	N	94	Very high	92.9	Very high	72 Å²	72	122.4 Å²	122.4	39%	0.385	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-107.2	10.4	-178.1	68	17.2	0	0	0	114.1	R16 S18	R16-N21 PolarHBondContact O-ND2 3.02Å; S18-N21 PolarHBondContact N-ND2 2.95Å; S18-N21 PolarHBondContact N-OD1 3.42Å; S18-N21 PolarHBondContact O-N 3.45Å; S18-N21 PolarHBondContact O-OD1 3.1Å
22	I	93.9	Very high	92.7	Very high	125 Å²	125	126 Å²	126	64%	0.641	67%	0.667	S	S	*	*			trans	-80.6	127.4	172.7	-57.1	174.5	0	0	0	108.4
23	S	91.9	Very high	92.5	Very high	106 Å²	106	123 Å²	123	74%	0.741	66%	0.657	S	S	*	*			trans	-128.6	151.4	171.4	57.1	0	0	0	0	110
24	D	93.3	Very high	92	Very high	90 Å²	90	120 Å²	120	48%	0.481	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-68.9	158.1	171.8	-51.1	-76.1	0	0	0	110.5	S28 K29	D24-S28 WeakPolarHBondContact CB-OG 3.46Å; D24-K29 WeakPolarHBondContact OD1-CE 3.44Å; D24-K29 IonicContact OD1-NZ 3.44Å; D24-K29 PolarHBondContact OD1-NZ 3.21Å; D24-K29 VanDerWaalsContact OD2-CD 3.25Å; D24-K29 WeakPolarHBondContact OD2-CD 3.42Å; D24-K29 WeakPolarHBondContact OD2-CE 3.44Å; D24-K29 IonicContact OD2-NZ 3.83Å; D24-K29 PolarHBondContact OD2-NZ 2.75Å
25	L	94.4	Very high	91.6	Very high	141 Å²	141	112.8 Å²	112.8	74%	0.738	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57	134.1	172.6	-73.3	167.7	0	0	0	109.8	G27 S28	L25-G27 PolarHBondContact O-N 2.95Å; L25-S28 VanDerWaalsContact O-CB 3.28Å; L25-S28 WeakPolarHBondContact O-CB 3.33Å; L25-S28 PolarHBondContact O-N 3.19Å; L25-S28 PolarHBondContact O-OG 3.02Å
26	P	92.9	Very high	91.1	Very high	130 Å²	130	113 Å²	113	84%	0.844	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	127.1	179.2	24.4	-33.3	0	0	0	109.7
27	G	90	Very high	90.7	Very high	72 Å²	72	112.3 Å²	112.3	74%	0.742	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.9	-12.3	-177.8	0	0	0	0	0	115.9	L25 K29	L25-G27 PolarHBondContact O-N 2.95Å; G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 2.98Å
28	S	94.6	Very high	90.4	Very high	67 Å²	67	115.9 Å²	115.9	47%	0.469	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	-33.6	174.7	61.7	0	0	0	0	112.8	D24 L25	D24-S28 WeakPolarHBondContact CB-OG 3.46Å; L25-S28 VanDerWaalsContact O-CB 3.28Å; L25-S28 WeakPolarHBondContact O-CB 3.33Å; L25-S28 PolarHBondContact O-N 3.19Å; L25-S28 PolarHBondContact O-OG 3.02Å
29	K	91.3	Very high	90	Very high	135 Å²	135	123.5 Å²	123.5	59%	0.587	65%	0.646	S	S	*	*	S	Bend	trans	-111.3	106.5	173.3	-67.7	-177.2	-173.3	162.3	0	108.7	D24 G27	D24-K29 WeakPolarHBondContact OD1-CE 3.44Å; D24-K29 IonicContact OD1-NZ 3.44Å; D24-K29 PolarHBondContact OD1-NZ 3.21Å; D24-K29 VanDerWaalsContact OD2-CD 3.25Å; D24-K29 WeakPolarHBondContact OD2-CD 3.42Å; D24-K29 WeakPolarHBondContact OD2-CE 3.44Å; D24-K29 IonicContact OD2-NZ 3.83Å; D24-K29 PolarHBondContact OD2-NZ 2.75Å; G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 2.98Å
30	P	89.1	Confident	89.5	Confident	108 Å²	108	124.9 Å²	124.9	70%	0.701	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.3	148	175.3	26.3	-33.1	0	0	0	109.9
31	P	88.1	Confident	89.2	Confident	118 Å²	118	124.9 Å²	124.9	77%	0.766	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-60.2	148.2	176.7	26.6	-34.2	0	0	0	110.4	Y33	P31-Y33 PolarHBondContact O-N 3.48Å
32	K	88.2	Confident	88.8	Confident	180 Å²	180	123.8 Å²	123.8	78%	0.783	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-59.5	134.9	179.7	-67.4	-177.5	179.2	179.5	0	110.4	H34	K32-H34 PolarHBondContact O-CD2 3.02Å; K32-H34 VanDerWaalsContact O-CD2 3.23Å; K32-H34 PolarHBondContact O-N 3.46Å; K32-H34 VanDerWaalsContact O-N 3.1Å
33	Y	87.3	Confident	88.7	Confident	160 Å²	160	120.7 Å²	120.7	63%	0.627	62%	0.62	S	S	*	*			trans	-64	112.9	176.7	179.8	-107.2	0	0	0	111	P31 L36	P31-Y33 PolarHBondContact O-N 3.48Å; Y33-L36 HydrophobicContact CD1-CG 4.21Å; Y33-L36 HydrophobicContact CE1-CG 4.45Å
34	H	85.1	Confident	88.5	Confident	113 Å²	113	117 Å²	117	52%	0.523	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-85.8	-4.6	-177.8	-68.9	-67.2	0	0	0	114.2	K32 L36 R37	K32-H34 PolarHBondContact O-CD2 3.02Å; K32-H34 VanDerWaalsContact O-CD2 3.23Å; K32-H34 PolarHBondContact O-N 3.46Å; K32-H34 VanDerWaalsContact O-N 3.1Å; H34-L36 PolarHBondContact O-N 3.33Å; H34-L36 VanDerWaalsContact O-N 3.17Å; H34-R37 WeakPolarHBondContact O-CB 3.27Å; H34-R37 PolarHBondContact O-N 3.19Å
35	G	83.1	Confident	88.4	Confident	4 Å²	4	117.6 Å²	117.6	4%	0.041	60%	0.599	C	S	.	*	G	3₁₀ helix	trans	-61.2	-27.2	-176.8	0	0	0	0	0	113.8	R37 R38 R41 G42	G35-R37 PolarHBondContact O-N 3.27Å; G35-R38 WeakPolarHBondContact O-CB 3.32Å; G35-R38 PolarHBondContact O-N 2.94Å; G35-R41 CarbonylContact O-C 3.15Å; G35-R41 VanDerWaalsContact O-CA 3.22Å; G35-R41 WeakPolarHBondContact O-CA 3.49Å; G35-G42 PolarHBondContact O-N 3.04Å
36	L	83.2	Confident	88.2	Confident	107 Å²	107	119.3 Å²	119.3	56%	0.56	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-62.9	-19.3	174	-66.1	174.5	0	0	0	113.9	Y33 H34 R41	Y33-L36 HydrophobicContact CD1-CG 4.21Å; Y33-L36 HydrophobicContact CE1-CG 4.45Å; H34-L36 PolarHBondContact O-N 3.33Å; H34-L36 VanDerWaalsContact O-N 3.17Å; L36-R41 HydrophobicContact CD2-CB 4.32Å
37	R	84.5	Confident	88.1	Confident	212 Å²	212	115.2 Å²	115.2	80%	0.8	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-86.8	-8.9	176.4	-63.8	-175.3	175.3	-172.6	-4.6	113.4	H34 G35	H34-R37 WeakPolarHBondContact O-CB 3.27Å; H34-R37 PolarHBondContact O-N 3.19Å; G35-R37 PolarHBondContact O-N 3.27Å
38	R	86.5	Confident	88.1	Confident	184 Å²	184	113.7 Å²	113.7	69%	0.694	56%	0.557	S	S	*	*	S	Bend	trans	-78.2	155.2	177	-60.5	-178.5	177.9	-179.2	-1.5	109.8	G35 R40 R41	G35-R38 WeakPolarHBondContact O-CB 3.32Å; G35-R38 PolarHBondContact O-N 2.94Å; R38-R40 PolarHBondContact O-N 3.24Å; R38-R41 PolarHBondContact O-N 2.98Å
39	M	87.2	Confident	87.9	Confident	198 Å²	198	112.5 Å²	112.5	98%	0.975	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	-43.3	178.6	-98.6	-85.6	177.1	0	0	113.8
40	R	86.2	Confident	88	Confident	138 Å²	138	109.9 Å²	109.9	52%	0.521	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	9.5	179.7	-60.5	-175.6	-176.9	158.7	-2.3	114.4	R38 G42 L43 H45	R38-R40 PolarHBondContact O-N 3.24Å; R40-G42 PolarHBondContact O-N 3Å; R40-L43 WeakPolarHBondContact CB-O 3.47Å; R40-L43 WeakPolarHBondContact O-CB 3.38Å; R40-L43 PolarHBondContact O-N 3.07Å; R40-H45 PolarHBondContact NH2-ND1 3.24Å
41	R	88	Confident	88.1	Confident	163 Å²	163	111.7 Å²	111.7	62%	0.615	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	21.4	179	-55.2	-176.4	-178.6	-104.7	3.3	115.7	G35 L36 R38	G35-R41 CarbonylContact O-C 3.15Å; G35-R41 VanDerWaalsContact O-CA 3.22Å; G35-R41 WeakPolarHBondContact O-CA 3.49Å; L36-R41 HydrophobicContact CD2-CB 4.32Å; R38-R41 PolarHBondContact O-N 2.98Å
42	G	86.6	Confident	88.2	Confident	49 Å²	49	112.8 Å²	112.8	51%	0.505	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	3.5	-174.2	0	0	0	0	0	114.9	G35 R40	G35-G42 PolarHBondContact O-N 3.04Å; R40-G42 PolarHBondContact O-N 3Å
43	L	90.2	Very high	88.4	Confident	59 Å²	59	107.5 Å²	107.5	31%	0.309	52%	0.52	S	S	.	.			trans	-91.3	161.5	175.2	-55	174.4	0	0	0	111.7	R40 Q52	R40-L43 WeakPolarHBondContact CB-O 3.47Å; R40-L43 WeakPolarHBondContact O-CB 3.38Å; R40-L43 PolarHBondContact O-N 3.07Å; L43-Q52 HydrophobicContact CD1-CG 4.33Å; L43-Q52 HydrophobicContact CD2-CG 4.44Å
44	G	88.8	Confident	88.6	Confident	28 Å²	28	106 Å²	106	29%	0.289	52%	0.517	S	S	.	.			trans	-69.1	-177.3	177.4	0	0	0	0	0	114.6	S49	G44-S49 PolarHBondContact N-OG 2.97Å
45	H	91.2	Very high	88.9	Confident	104 Å²	104	103.9 Å²	103.9	48%	0.481	51%	0.514	S	S	.	.	S	Bend	trans	-99.9	121.8	172.2	-169.8	47.4	0	0	0	111	R40	R40-H45 PolarHBondContact NH2-ND1 3.24Å
46	R	89.3	Confident	89.4	Confident	177 Å²	177	108.4 Å²	108.4	67%	0.668	54%	0.542	S	S	*	.	S	Bend	trans	57.5	177	-178.5	-54.3	177.7	-172	-160.5	-3.3	111.7
47	G	91.1	Very high	89.9	Confident	44 Å²	44	111.8 Å²	111.8	45%	0.454	56%	0.56	S	S	.	*	H	α-helix	trans	67.5	-172.5	177.6	0	0	0	0	0	114.8	S49 Q50 F51	G47-S49 PolarHBondContact O-N 3.46Å; G47-S49 VanDerWaalsContact O-N 3.17Å; G47-Q50 PolarHBondContact O-N 3.15Å; G47-Q50 VanDerWaalsContact O-N 3.14Å; G47-F51 VanDerWaalsContact O-CD2 3.25Å; G47-F51 WeakPolarHBondContact O-CD2 3.47Å; G47-F51 PolarHBondContact O-N 3.25Å
48	A	90.9	Very high	90.3	Very high	40 Å²	40	103.3 Å²	103.3	33%	0.331	54%	0.539	S	S	.	.	H	α-helix	trans	-55.5	-35.1	-173.1	0	0	0	0	0	113.8	Q50 F51 Q52 A53 F54	A48-Q50 PolarHBondContact O-N 3.06Å; A48-F51 PolarHBondContact O-N 3.34Å; A48-Q52 CarbonylContact O-C 3.53Å; A48-Q52 VanDerWaalsContact O-CA 3.29Å; A48-Q52 WeakPolarHBondContact O-CA 3.43Å; A48-Q52 PolarHBondContact O-N 2.97Å; A48-A53 VanDerWaalsContact CB-O 3.32Å; A48-A53 WeakPolarHBondContact CB-O 3.23Å; A48-A53 PolarHBondContact O-N 2.8Å; A48-F54 HydrophobicContact CB-CD1 4.19Å
49	S	90.6	Very high	90.5	Very high	42 Å²	42	97.5 Å²	97.5	29%	0.294	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-39	179.6	175	0	0	0	0	113.4	G44 G47 F54	G44-S49 PolarHBondContact N-OG 2.97Å; G47-S49 PolarHBondContact O-N 3.46Å; G47-S49 VanDerWaalsContact O-N 3.17Å; S49-F54 VanDerWaalsContact CA-CZ 3.4Å
50	Q	91.8	Very high	90.5	Very high	79 Å²	79	92.5 Å²	92.5	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-71.5	-41.1	179.8	-176.9	178.2	-9.6	0	0	111.7	G47 A48 Q52	G47-Q50 PolarHBondContact O-N 3.15Å; G47-Q50 VanDerWaalsContact O-N 3.14Å; A48-Q50 PolarHBondContact O-N 3.06Å; Q50-Q52 VanDerWaalsContact C-N 3.32Å
51	F	91.5	Very high	90.6	Very high	146 Å²	146	93.2 Å²	93.2	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-90	2	-177.1	-58.7	-70.2	0	0	0	113.2	G47 A48 A53	G47-F51 VanDerWaalsContact O-CD2 3.25Å; G47-F51 WeakPolarHBondContact O-CD2 3.47Å; G47-F51 PolarHBondContact O-N 3.25Å; A48-F51 PolarHBondContact O-N 3.34Å; F51-A53 HydrophobicContact CB-CB 4.24Å; F51-A53 PolarHBondContact O-N 3.48Å; F51-A53 VanDerWaalsContact O-N 3.1Å
52	Q	91.5	Very high	90.7	Very high	142 Å²	142	90.6 Å²	90.6	66%	0.664	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	29.9	-172.9	-59.4	-176.8	-39.5	0	0	112.9	L43 A48 Q50 F54	L43-Q52 HydrophobicContact CD1-CG 4.33Å; L43-Q52 HydrophobicContact CD2-CG 4.44Å; A48-Q52 CarbonylContact O-C 3.53Å; A48-Q52 VanDerWaalsContact O-CA 3.29Å; A48-Q52 WeakPolarHBondContact O-CA 3.43Å; A48-Q52 PolarHBondContact O-N 2.97Å; Q50-Q52 VanDerWaalsContact C-N 3.32Å; Q52-F54 VanDerWaalsContact C-N 3.28Å; Q52-F54 PolarHBondContact O-N 2.89Å
53	A	92.9	Very high	91.1	Very high	68 Å²	68	96 Å²	96	56%	0.562	54%	0.537	S	S	*	.			trans	-96.1	49.8	-178.8	0	0	0	0	0	110.2	A48 F51	A48-A53 VanDerWaalsContact CB-O 3.32Å; A48-A53 WeakPolarHBondContact CB-O 3.23Å; A48-A53 PolarHBondContact O-N 2.8Å; F51-A53 HydrophobicContact CB-CB 4.24Å; F51-A53 PolarHBondContact O-N 3.48Å; F51-A53 VanDerWaalsContact O-N 3.1Å
54	F	91.2	Very high	91.2	Very high	130 Å²	130	98.3 Å²	98.3	57%	0.57	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-72	142	177.4	-65	-75.6	0	0	0	110.4	A48 S49 Q52	A48-F54 HydrophobicContact CB-CD1 4.19Å; S49-F54 VanDerWaalsContact CA-CZ 3.4Å; Q52-F54 VanDerWaalsContact C-N 3.28Å; Q52-F54 PolarHBondContact O-N 2.89Å
55	P	91.4	Very high	91.5	Very high	68 Å²	68	98 Å²	98	44%	0.442	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-64.2	159.1	170.8	30.3	-35.2	0	0	0	110.3	V59	P55-V59 HydrophobicContact CB-CB 4.09Å; P55-V59 HydrophobicContact CB-CG1 4.18Å
56	P	92.5	Very high	91.6	Very high	98 Å²	98	100.4 Å²	100.4	64%	0.636	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-53.1	150.8	173.6	-24.6	32.7	0	0	0	112.4	G58 V59	P56-G58 PolarHBondContact O-N 3.43Å; P56-V59 HydrophobicContact CB-CG2 4.06Å; P56-V59 HydrophobicContact CG-CG2 4.33Å; P56-V59 WeakPolarHBondContact O-CB 3.35Å; P56-V59 WeakPolarHBondContact O-CG2 3.44Å; P56-V59 PolarHBondContact O-N 3.11Å
57	L	93.6	Very high	91.9	Very high	178 Å²	178	98.7 Å²	98.7	93%	0.932	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	131.4	179.1	-176.3	67	0	0	0	110.9
58	G	92.6	Very high	92	Very high	35 Å²	35	102 Å²	102	36%	0.361	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.3	-4.4	177.4	0	0	0	0	0	115.2	P56 L60 P65	P56-G58 PolarHBondContact O-N 3.43Å; G58-L60 PolarHBondContact O-N 2.91Å; G58-P65 WeakPolarHBondContact O-CB 3.5Å
59	V	91.1	Very high	92.1	Very high	62 Å²	62	103.4 Å²	103.4	38%	0.376	57%	0.565	S	S	.	*			trans	-70.5	128.6	171.1	176	0	0	0	0	109.6	P55 P56	P55-V59 HydrophobicContact CB-CB 4.09Å; P55-V59 HydrophobicContact CB-CG1 4.18Å; P56-V59 HydrophobicContact CB-CG2 4.06Å; P56-V59 HydrophobicContact CG-CG2 4.33Å; P56-V59 WeakPolarHBondContact O-CB 3.35Å; P56-V59 WeakPolarHBondContact O-CG2 3.44Å; P56-V59 PolarHBondContact O-N 3.11Å
60	L	88.4	Confident	92.3	Very high	93 Å²	93	104.8 Å²	104.8	49%	0.487	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-117.8	69.5	176.9	-75.2	169.2	0	0	0	109.1	G58 A62 K63	G58-L60 PolarHBondContact O-N 2.91Å; L60-A62 PolarHBondContact O-N 3.23Å; L60-K63 HydrophobicContact CB-CB 4.15Å; L60-K63 CarbonylContact O-C 3.58Å; L60-K63 WeakPolarHBondContact O-CA 3.47Å; L60-K63 PolarHBondContact O-N 3.49Å
61	D	87.3	Confident	92.5	Very high	153 Å²	153	105.7 Å²	105.7	82%	0.818	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	21	-94	177.5	-62.6	-23.3	0	0	0	115.5
62	A	90.6	Very high	92.7	Very high	107 Å²	107	108.5 Å²	108.5	88%	0.884	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-7	-176.8	0	0	0	0	0	115.7	L60	L60-A62 PolarHBondContact O-N 3.23Å
63	K	94	Very high	92.8	Very high	162 Å²	162	106.6 Å²	106.6	70%	0.704	59%	0.587	S	S	*	*	B	Isolated β-bridge	trans	-104.5	145.9	-178.3	-66.3	-175.7	179	-178.2	0	110.8	L60 P65	L60-K63 HydrophobicContact CB-CB 4.15Å; L60-K63 CarbonylContact O-C 3.58Å; L60-K63 WeakPolarHBondContact O-CA 3.47Å; L60-K63 PolarHBondContact O-N 3.49Å; K63-P65 WeakPolarHBondContact O-CD 3.45Å
64	T	93.3	Very high	92.8	Very high	109 Å²	109	107.5 Å²	107.5	67%	0.669	59%	0.587	S	S	*	*			trans	-60.4	124.2	170.3	48.6	0	0	0	0	110
65	P	95.5	Very high	92.9	Very high	21 Å²	21	109.5 Å²	109.5	14%	0.136	59%	0.592	C	S	.	*			trans	-52.2	144	174.7	-30.5	36.6	0	0	0	113.3	G58 K63 Y67 L68 S69	G58-P65 WeakPolarHBondContact O-CB 3.5Å; K63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-Y67 VanDerWaalsContact C-N 3.3Å; P65-Y67 HydrophobicContact CB-CD1 3.68Å; P65-Y67 HydrophobicContact CB-CE1 3.31Å; P65-Y67 HydrophobicContact CG-CE1 4.1Å; P65-Y67 PolarHBondContact O-N 3.24Å; P65-L68 HydrophobicContact CB-CD1 4.37Å; P65-L68 HydrophobicContact CB-CG 4.4Å; P65-L68 HydrophobicContact CG-CD1 4.19Å; P65-L68 PolarHBondContact O-N 3.38Å; P65-S69 PolarHBondContact O-N 3.48Å
66	F	93.6	Very high	92.8	Very high	155 Å²	155	112.4 Å²	112.4	68%	0.68	60%	0.604	S	S	*	*	H	α-helix	trans	-52.5	-46.9	-178.6	170.9	-105	0	0	0	112.6	L68 S69 V70	F66-L68 PolarHBondContact O-N 3.45Å; F66-L68 VanDerWaalsContact O-N 3.1Å; F66-S69 WeakPolarHBondContact CA-OG 3.39Å; F66-S69 PolarHBondContact O-N 2.88Å; F66-S69 PolarHBondContact O-OG 3.13Å; F66-V70 HydrophobicContact CD2-CG2 4.2Å; F66-V70 HydrophobicContact CE1-CG2 4.33Å; F66-V70 HydrophobicContact CE2-CG2 3.66Å; F66-V70 HydrophobicContact CZ-CG2 3.74Å; F66-V70 PolarHBondContact O-N 2.81Å
67	Y	93.7	Very high	92.8	Very high	141 Å²	141	113.8 Å²	113.8	55%	0.553	60%	0.604	S	S	*	*	H	α-helix	trans	-66.2	-12.7	-178.3	70.5	-91.5	0	0	0	114.4	P65	P65-Y67 VanDerWaalsContact C-N 3.3Å; P65-Y67 HydrophobicContact CB-CD1 3.68Å; P65-Y67 HydrophobicContact CB-CE1 3.31Å; P65-Y67 HydrophobicContact CG-CE1 4.1Å; P65-Y67 PolarHBondContact O-N 3.24Å
68	L	93.4	Very high	92.4	Very high	113 Å²	113	109.8 Å²	109.8	59%	0.592	58%	0.584	S	S	*	*	H	α-helix	trans	-99.8	-26.3	172.7	-62.8	179.2	0	0	0	112.3	P65 F66 V70	P65-L68 HydrophobicContact CB-CD1 4.37Å; P65-L68 HydrophobicContact CB-CG 4.4Å; P65-L68 HydrophobicContact CG-CD1 4.19Å; P65-L68 PolarHBondContact O-N 3.38Å; F66-L68 PolarHBondContact O-N 3.45Å; F66-L68 VanDerWaalsContact O-N 3.1Å; L68-V70 VanDerWaalsContact C-N 3.34Å
69	S	94.2	Very high	92	Very high	70 Å²	70	111 Å²	111	49%	0.49	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-27.3	178.5	66.3	0	0	0	0	113.4	P65 F66	P65-S69 PolarHBondContact O-N 3.48Å; F66-S69 WeakPolarHBondContact CA-OG 3.39Å; F66-S69 PolarHBondContact O-N 2.88Å; F66-S69 PolarHBondContact O-OG 3.13Å
70	V	95.1	Very high	91.4	Very high	71 Å²	71	113.7 Å²	113.7	43%	0.43	60%	0.597	S	S	.	*	S	Bend	trans	-80.6	130.1	177.1	-179.3	0	0	0	0	109.2	F66 L68	F66-V70 HydrophobicContact CD2-CG2 4.2Å; F66-V70 HydrophobicContact CE1-CG2 4.33Å; F66-V70 HydrophobicContact CE2-CG2 3.66Å; F66-V70 HydrophobicContact CZ-CG2 3.74Å; F66-V70 PolarHBondContact O-N 2.81Å; L68-V70 VanDerWaalsContact C-N 3.34Å
71	P	96.1	Very high	91	Very high	97 Å²	97	113.3 Å²	113.3	63%	0.63	60%	0.602	S	S	*	*			trans	-61.7	148.7	178.2	26.7	-34.7	0	0	0	111.5	E73	P71-E73 PolarHBondContact O-N 3.22Å
72	K	94.3	Very high	90.7	Very high	206 Å²	206	110.9 Å²	110.9	90%	0.896	59%	0.586	S	S	*	*			trans	-73.8	109.5	178.7	-174.9	-179.2	179.7	-178.2	0	110
73	E	94.2	Very high	90.5	Very high	102 Å²	102	108.4 Å²	108.4	48%	0.477	56%	0.558	S	S	.	*			trans	-98.2	142.3	171	-71.1	-167.8	-149.6	0	0	111.7	P71 Y75	P71-E73 PolarHBondContact O-N 3.22Å; E73-Y75 HydrophobicContact CB-CD1 4.36Å; E73-Y75 HydrophobicContact CB-CD2 3.85Å; E73-Y75 HydrophobicContact CB-CE1 4Å; E73-Y75 HydrophobicContact CB-CE2 3.48Å; E73-Y75 VanDerWaalsContact CB-CE2 3.48Å; E73-Y75 HydrophobicContact CB-CG 4.3Å; E73-Y75 HydrophobicContact CG-CE2 4.34Å; E73-Y75 PolarHBondContact O-N 3.08Å; E73-Y75 PolarHBondContact OE1-OH 2.88Å; E73-Y75 WeakPolarHBondContact OE2-CE1 3.26Å; E73-Y75 PolarHBondContact OE2-OH 2.91Å
74	P	93.6	Very high	90.5	Very high	87 Å²	87	103.9 Å²	103.9	57%	0.565	54%	0.541	S	S	*	.			trans	-79.6	33.8	-172.4	33.3	-37.4	0	0	0	114.6	N76 I77	P74-N76 PolarHBondContact O-N 3.13Å; P74-I77 HydrophobicContact CB-CB 4.48Å; P74-I77 HydrophobicContact CB-CD1 3.25Å; P74-I77 HydrophobicContact CB-CG1 3.62Å; P74-I77 PolarHBondContact O-N 3.47Å
75	Y	91.5	Very high	90.6	Very high	172 Å²	172	101 Å²	101	68%	0.675	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.7	-171.6	-61.1	-55.2	0	0	0	114.5	E73	E73-Y75 HydrophobicContact CB-CD1 4.36Å; E73-Y75 HydrophobicContact CB-CD2 3.85Å; E73-Y75 HydrophobicContact CB-CE1 4Å; E73-Y75 HydrophobicContact CB-CE2 3.48Å; E73-Y75 VanDerWaalsContact CB-CE2 3.48Å; E73-Y75 HydrophobicContact CB-CG 4.3Å; E73-Y75 HydrophobicContact CG-CE2 4.34Å; E73-Y75 PolarHBondContact O-N 3.08Å; E73-Y75 PolarHBondContact OE1-OH 2.88Å; E73-Y75 WeakPolarHBondContact OE2-CE1 3.26Å; E73-Y75 PolarHBondContact OE2-OH 2.91Å
76	N	91.2	Very high	90.6	Very high	129 Å²	129	101.7 Å²	101.7	69%	0.69	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	22.2	-174.2	-61.3	-29.3	0	0	0	113.5	P74 N78 S79	P74-N76 PolarHBondContact O-N 3.13Å; N76-N78 PolarHBondContact O-N 3.43Å; N76-S79 PolarHBondContact O-N 2.65Å; N76-S79 PolarHBondContact O-OG 2.78Å
77	I	90.7	Very high	90.7	Very high	126 Å²	126	103.1 Å²	103.1	65%	0.646	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.5	-179	-80	-170.7	0	0	0	111.7	P74	P74-I77 HydrophobicContact CB-CB 4.48Å; P74-I77 HydrophobicContact CB-CD1 3.25Å; P74-I77 HydrophobicContact CB-CG1 3.62Å; P74-I77 PolarHBondContact O-N 3.47Å
78	N	85.9	Confident	90.9	Very high	95 Å²	95	96.5 Å²	96.5	51%	0.508	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	5.8	-174.4	-66.4	-32.3	0	0	0	113.9	N76 M80 S81 E82	N76-N78 PolarHBondContact O-N 3.43Å; N78-M80 PolarHBondContact O-N 3.17Å; N78-S81 CarbonylContact O-C 3.58Å; N78-S81 WeakPolarHBondContact O-CA 3.26Å; N78-S81 PolarHBondContact O-N 3.48Å; N78-E82 HydrophobicContact CB-CG 4.44Å; N78-E82 WeakPolarHBondContact O-CG 3.45Å; N78-E82 PolarHBondContact O-N 3.31Å
79	S	83.4	Confident	91.1	Very high	61 Å²	61	91.3 Å²	91.3	43%	0.427	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.9	-173.6	62.7	0	0	0	0	113.3	N76	N76-S79 PolarHBondContact O-N 2.65Å; N76-S79 PolarHBondContact O-OG 2.78Å
80	M	80.1	Confident	91.2	Very high	118 Å²	118	88 Å²	88	58%	0.581	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-29.5	177.5	-173.9	59.3	88.4	0	0	112.4	N78 R127	N78-M80 PolarHBondContact O-N 3.17Å; M80-R127 VanDerWaalsContact CG-NH1 3.28Å; M80-R127 WeakPolarHBondContact O-CD 3.35Å; M80-R127 PolarHBondContact O-NE 3.01Å; M80-R127 VanDerWaalsContact O-NE 3.16Å; M80-R127 PolarHBondContact O-NH1 2.91Å; M80-R127 PolarHBondContact O-NH2 2.84Å; M80-R127 WeakPolarHBondContact SD-CD 3.15Å; M80-R127 HydrophobicContact SD-CG 4.44Å; M80-R127 PolarHBondContact SD-NH1 3.39Å; M80-R127 VanDerWaalsContact SD-NH1 3.41Å
81	S	80.4	Confident	91.4	Very high	85 Å²	85	88.1 Å²	88.1	59%	0.594	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.7	-179.3	-62.9	0	0	0	0	113.2	N78	N78-S81 CarbonylContact O-C 3.58Å; N78-S81 WeakPolarHBondContact O-CA 3.26Å; N78-S81 PolarHBondContact O-N 3.48Å
82	E	81.1	Confident	91.4	Very high	101 Å²	101	86.3 Å²	86.3	47%	0.472	43%	0.432	S	S	.	.	S	Bend	trans	-67.8	139.9	178.6	-79.6	169.4	-159.5	0	0	111.8	N78 N84	N78-E82 HydrophobicContact CB-CG 4.44Å; N78-E82 WeakPolarHBondContact O-CG 3.45Å; N78-E82 PolarHBondContact O-N 3.31Å; E82-N84 PolarHBondContact O-N 3.08Å; E82-N84 VanDerWaalsContact O-N 3.16Å
83	N	86.3	Confident	91.6	Very high	56 Å²	56	76.6 Å²	76.6	30%	0.299	39%	0.39	S	S	.	.			trans	-85.5	89.3	176.6	-71.5	-5.1	0	0	0	109.6	L85 Y129 L203	N83-L85 PolarHBondContact O-N 3.21Å; N83-Y129 HydrophobicContact CB-CD2 3.76Å; N83-Y129 HydrophobicContact CB-CE2 4.08Å; N83-Y129 HydrophobicContact CB-CG 4.31Å; N83-Y129 WeakPolarHBondContact OD1-CE2 3.06Å; N83-Y129 VanDerWaalsContact OD1-CZ 3.29Å; N83-L203 WeakPolarHBondContact ND2-CD1 3.47Å
84	N	92.9	Very high	91.7	Very high	67 Å²	67	72.5 Å²	72.5	36%	0.358	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.1	174.4	-71	-29.2	0	0	0	110.2	E82 D126 Q128 Y129	E82-N84 PolarHBondContact O-N 3.08Å; E82-N84 VanDerWaalsContact O-N 3.16Å; N84-D126 WeakPolarHBondContact CB-O 3.46Å; N84-D126 PolarHBondContact ND2-O 3.06Å; N84-Q128 HydrophobicContact CB-CG 4.44Å; N84-Q128 CarbonylContact O-C 3.56Å; N84-Q128 VanDerWaalsContact O-CA 3.31Å; N84-Q128 WeakPolarHBondContact O-CA 3.39Å; N84-Y129 PolarHBondContact O-N 2.99Å
85	L	95.5	Very high	91.9	Very high	49 Å²	49	74.5 Å²	74.5	26%	0.257	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.2	176.2	-63	176.9	0	0	0	109.1	N83 G130 H132 Q150 Y151	N83-L85 PolarHBondContact O-N 3.21Å; L85-G130 WeakPolarHBondContact CA-O 3.22Å; L85-H132 HydrophobicContact CB-CB 3.86Å; L85-H132 HydrophobicContact CD1-CB 4.16Å; L85-Q150 HydrophobicContact CD1-CB 4.19Å; L85-Q150 HydrophobicContact CD2-CB 3.66Å; L85-Q150 HydrophobicContact CD2-CG 4.1Å; L85-Y151 HydrophobicContact CD1-CG 4.49Å
86	C	95.6	Very high	92.2	Very high	34 Å²	34	66.5 Å²	66.5	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.5	172.5	-172.2	0	0	0	0	109.1	L121 G130 F131 H132	C86-L121 HydrophobicContact CB-CD2 4.04Å; C86-G130 PolarHBondContact N-O 2.87Å; C86-F131 HydrophobicContact CB-CD1 3.68Å; C86-F131 HydrophobicContact CB-CE1 3.79Å; C86-F131 CarbonylContact O-C 3.51Å; C86-F131 VanDerWaalsContact O-CA 3.22Å; C86-F131 WeakPolarHBondContact O-CA 3.46Å; C86-H132 PolarHBondContact O-N 3.15Å
87	R	96.5	Very high	92.5	Very high	186 Å²	186	60.9 Å²	60.9	70%	0.702	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.6	-177.4	-65.5	179	-177.3	152.8	0.1	110.1	H132 T134	R87-H132 WeakPolarHBondContact CA-O 3.49Å; R87-H132 HydrophobicContact CG-CB 4.49Å; R87-T134 HydrophobicContact CB-CG2 4.03Å; R87-T134 HydrophobicContact CG-CG2 4.14Å
88	I	96.9	Very high	92.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.9	171.3	-64.2	-179.6	0	0	0	106.8	E92 L113 Y119 F131 H132 L133 T134	I88-E92 HydrophobicContact CG2-CB 4.4Å; I88-L113 HydrophobicContact CD1-CD1 3.85Å; I88-L113 HydrophobicContact CD1-CD2 4.1Å; I88-L113 HydrophobicContact CD1-CG 4.45Å; I88-Y119 HydrophobicContact CD1-CD1 4.12Å; I88-Y119 HydrophobicContact CD1-CD2 4.08Å; I88-Y119 HydrophobicContact CD1-CE1 4.05Å; I88-Y119 HydrophobicContact CD1-CE2 4.02Å; I88-Y119 HydrophobicContact CD1-CG 4.14Å; I88-Y119 HydrophobicContact CG1-CD1 4.09Å; I88-Y119 HydrophobicContact CG1-CE1 3.69Å; I88-Y119 HydrophobicContact CG1-CE2 4.41Å; I88-F131 HydrophobicContact CD1-CB 4.32Å; I88-F131 HydrophobicContact CD1-CD1 3.26Å; I88-F131 HydrophobicContact CD1-CD2 4.38Å; I88-F131 HydrophobicContact CD1-CE1 3.52Å; I88-F131 HydrophobicContact CD1-CG 3.74Å; I88-F131 HydrophobicContact CD1-CZ 4.19Å; I88-F131 HydrophobicContact CG1-CD1 3.71Å; I88-F131 HydrophobicContact CG1-CE1 4.16Å; I88-F131 HydrophobicContact CG1-CG 4.43Å; I88-H132 PolarHBondContact N-O 3.41Å; I88-L133 HydrophobicContact CG2-CD1 4.39Å; I88-L133 CarbonylContact O-C 3.52Å; I88-L133 VanDerWaalsContact O-CA 3.3Å; I88-L133 WeakPolarHBondContact O-CA 3.45Å; I88-T134 PolarHBondContact O-N 2.99Å; I88-T134 PolarHBondContact O-OG1 2.96Å
89	S	97.4	Very high	93.4	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.028	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	156.6	176.9	63.5	0	0	0	0	112.9	L91 E92 L93 T134 E136	S89-L91 PolarHBondContact O-N 3.34Å; S89-E92 PolarHBondContact O-N 2.81Å; S89-E92 VanDerWaalsContact O-N 3.16Å; S89-E92 VanDerWaalsContact OG-CG 3.3Å; S89-E92 WeakPolarHBondContact OG-CG 3.44Å; S89-E92 PolarHBondContact OG-N 2.72Å; S89-L93 PolarHBondContact O-N 3.08Å; S89-T134 WeakPolarHBondContact CA-OG1 3.11Å; S89-T134 WeakPolarHBondContact CB-OG1 3.31Å; S89-E136 WeakPolarHBondContact CB-O 3.34Å
90	L	97.8	Very high	94	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-34.2	171.8	-74	173.7	0	0	0	111.9	L93 Q94 L133 T134 E136 I138 F141 V156 A159 V160	L90-L93 PolarHBondContact O-N 3.06Å; L90-Q94 WeakPolarHBondContact O-CB 3.45Å; L90-Q94 PolarHBondContact O-N 3.19Å; L90-L133 HydrophobicContact CD2-CD1 4.23Å; L90-L133 HydrophobicContact CD2-CD2 3.85Å; L90-L133 HydrophobicContact CD2-CG 4.07Å; L90-L133 HydrophobicContact CG-CG 4.46Å; L90-T134 PolarHBondContact N-O 3.46Å; L90-E136 PolarHBondContact N-O 3.07Å; L90-I138 HydrophobicContact CD1-CB 4.47Å; L90-I138 HydrophobicContact CD1-CG1 3.68Å; L90-F141 HydrophobicContact CB-CB 4.42Å; L90-F141 HydrophobicContact CB-CD2 4.39Å; L90-F141 HydrophobicContact CD2-CD2 4.11Å; L90-F141 HydrophobicContact CD2-CE2 4.38Å; L90-F141 HydrophobicContact CD2-CG 4.22Å; L90-V156 HydrophobicContact CD1-CB 4.48Å; L90-V156 HydrophobicContact CD1-CG1 4.18Å; L90-V156 HydrophobicContact CD1-CG2 4.29Å; L90-V156 HydrophobicContact CD2-CG1 4.3Å; L90-V156 HydrophobicContact CG-CG1 4.3Å; L90-A159 HydrophobicContact CD1-CB 3.71Å; L90-V160 HydrophobicContact CD2-CG2 4.01Å
91	L	97.7	Very high	94.7	Very high	73 Å²	73	65.2 Å²	65.2	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-47.6	172.7	-174.6	60.5	0	0	0	111.8	S89 L93 Q94 R95 E136	S89-L91 PolarHBondContact O-N 3.34Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-Q94 PolarHBondContact O-N 3.17Å; L91-R95 WeakPolarHBondContact O-CB 3.21Å; L91-R95 PolarHBondContact O-N 3.29Å; L91-E136 PolarHBondContact N-O 3.18Å
92	E	97.2	Very high	95.5	Very high	58 Å²	58	61.6 Å²	61.6	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-42.1	177.5	-75.8	-169.5	151.9	0	0	111.3	I88 S89 R95 L96 Y119	I88-E92 HydrophobicContact CG2-CB 4.4Å; S89-E92 PolarHBondContact O-N 2.81Å; S89-E92 VanDerWaalsContact O-N 3.16Å; S89-E92 VanDerWaalsContact OG-CG 3.3Å; S89-E92 WeakPolarHBondContact OG-CG 3.44Å; S89-E92 PolarHBondContact OG-N 2.72Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 IonicContact OE1-NH2 3.95Å; E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.45Å; E92-L96 PolarHBondContact O-N 2.82Å; E92-Y119 PolarHBondContact OE2-OH 2.87Å
93	L	97.6	Very high	96.3	Very high	2 Å²	2	60 Å²	60	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-46.4	178.3	-168.2	137.9	0	0	0	111.9	S89 L90 L91 R95 L96 I97 L133 F141 I147	S89-L93 PolarHBondContact O-N 3.08Å; L90-L93 PolarHBondContact O-N 3.06Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.23Å; L93-I97 HydrophobicContact CD2-CD1 3.65Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 2.87Å; L93-I97 VanDerWaalsContact O-N 3.14Å; L93-L133 HydrophobicContact CD1-CD1 4.11Å; L93-F141 HydrophobicContact CD2-CE2 3.51Å; L93-F141 HydrophobicContact CD2-CZ 4.1Å; L93-I147 HydrophobicContact CD1-CD1 3.28Å
94	Q	97.4	Very high	96.7	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-43.8	174.9	-174.1	60	54.3	0	0	110.9	L90 L91 L96 I97 D98 F141 T143	L90-Q94 WeakPolarHBondContact O-CB 3.45Å; L90-Q94 PolarHBondContact O-N 3.19Å; L91-Q94 PolarHBondContact O-N 3.17Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.99Å; Q94-I97 WeakPolarHBondContact O-CB 3.09Å; Q94-I97 PolarHBondContact O-N 2.76Å; Q94-I97 VanDerWaalsContact O-N 3.11Å; Q94-D98 PolarHBondContact NE2-OD1 3.08Å; Q94-D98 PolarHBondContact O-N 3.36Å; Q94-F141 HydrophobicContact CB-CD2 4.16Å; Q94-T143 VanDerWaalsContact CD-OG1 3.27Å; Q94-T143 PolarHBondContact NE2-OG1 3.36Å; Q94-T143 PolarHBondContact OE1-OG1 3.41Å
95	R	97.3	Very high	96.8	Very high	130 Å²	130	61.6 Å²	61.6	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-37.9	176.3	-176.3	179.9	66	-175.7	-3.4	112.5	L91 E92 L93 I97 D98 L99	L91-R95 WeakPolarHBondContact O-CB 3.21Å; L91-R95 PolarHBondContact O-N 3.29Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.41Å; E92-R95 IonicContact OE1-NH2 3.95Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 3.33Å; R95-I97 VanDerWaalsContact C-N 3.31Å; R95-D98 PolarHBondContact O-N 3.45Å; R95-L99 HydrophobicContact CG-CD1 3.98Å; R95-L99 HydrophobicContact CG-CG 4.45Å; R95-L99 WeakPolarHBondContact O-CB 3.38Å; R95-L99 VanDerWaalsContact O-CG 3.23Å; R95-L99 WeakPolarHBondContact O-CG 3.22Å; R95-L99 PolarHBondContact O-N 2.92Å
96	L	97.5	Very high	96.8	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-35.9	176.9	-68.2	167.6	0	0	0	112.1	E92 L93 Q94 R101 I102 L118 Y119	E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.45Å; E92-L96 PolarHBondContact O-N 2.82Å; L93-L96 PolarHBondContact O-N 3.23Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.99Å; L96-R101 HydrophobicContact CD2-CB 4.4Å; L96-R101 WeakPolarHBondContact O-CB 3.45Å; L96-R101 PolarHBondContact O-N 3.35Å; L96-I102 HydrophobicContact CB-CD1 3.72Å; L96-I102 HydrophobicContact CB-CG1 4.08Å; L96-I102 HydrophobicContact CD1-CD1 3.73Å; L96-I102 HydrophobicContact CG-CD1 4.3Å; L96-I102 PolarHBondContact O-N 3.4Å; L96-L118 HydrophobicContact CD2-CD1 3.42Å; L96-L118 VanDerWaalsContact CD2-CD1 3.42Å; L96-Y119 HydrophobicContact CD1-CE2 3.92Å
97	I	97.5	Very high	96.8	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-49.3	174.4	-66.6	169.1	0	0	0	110.2	L93 Q94 R95 L99 N100 I102 P104 T143 V145	L93-I97 HydrophobicContact CD2-CD1 3.65Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 2.87Å; L93-I97 VanDerWaalsContact O-N 3.14Å; Q94-I97 WeakPolarHBondContact O-CB 3.09Å; Q94-I97 PolarHBondContact O-N 2.76Å; Q94-I97 VanDerWaalsContact O-N 3.11Å; R95-I97 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 2.74Å; I97-N100 WeakPolarHBondContact O-CA 3.48Å; I97-N100 PolarHBondContact O-N 2.73Å; I97-I102 HydrophobicContact CG1-CB 4.45Å; I97-P104 HydrophobicContact CD1-CB 4.45Å; I97-P104 HydrophobicContact CG2-CB 4.39Å; I97-P104 HydrophobicContact CG2-CG 4.02Å; I97-T143 HydrophobicContact CD1-CG2 4.19Å; I97-T143 HydrophobicContact CG2-CG2 4.09Å; I97-V145 HydrophobicContact CD1-CG1 3.78Å
98	D	97.4	Very high	96.9	Very high	104 Å²	104	55.4 Å²	55.4	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-61.6	-34.3	-178.3	-63.3	-23.1	0	0	0	112.2	Q94 R95 N100	Q94-D98 PolarHBondContact NE2-OD1 3.08Å; Q94-D98 PolarHBondContact O-N 3.36Å; R95-D98 PolarHBondContact O-N 3.45Å; D98-N100 PolarHBondContact O-N 3.35Å
99	L	97.2	Very high	96.8	Very high	106 Å²	106	55.6 Å²	55.6	56%	0.555	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	5.6	174	-66.6	175.3	0	0	0	113.6	R95 I97 R101	R95-L99 HydrophobicContact CG-CD1 3.98Å; R95-L99 HydrophobicContact CG-CG 4.45Å; R95-L99 WeakPolarHBondContact O-CB 3.38Å; R95-L99 VanDerWaalsContact O-CG 3.23Å; R95-L99 WeakPolarHBondContact O-CG 3.22Å; R95-L99 PolarHBondContact O-N 2.92Å; I97-L99 PolarHBondContact O-N 2.74Å; L99-R101 HydrophobicContact CB-CG 4.23Å; L99-R101 PolarHBondContact O-N 2.57Å; L99-R101 VanDerWaalsContact O-N 3.17Å
100	N	96.3	Very high	96.8	Very high	146 Å²	146	55.4 Å²	55.4	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.3	-176.7	-63	-57.1	0	0	0	113.6	I97 D98	I97-N100 WeakPolarHBondContact O-CA 3.48Å; I97-N100 PolarHBondContact O-N 2.73Å; D98-N100 PolarHBondContact O-N 3.35Å
101	R	96.2	Very high	96.7	Very high	135 Å²	135	56.2 Å²	56.2	51%	0.509	28%	0.277	S	S	.	.	S	Bend	trans	-83.5	-29.2	173.2	-67.3	-174.3	175.1	-137.9	2.8	111.9	L96 L99 T116	L96-R101 HydrophobicContact CD2-CB 4.4Å; L96-R101 WeakPolarHBondContact O-CB 3.45Å; L96-R101 PolarHBondContact O-N 3.35Å; L99-R101 HydrophobicContact CB-CG 4.23Å; L99-R101 PolarHBondContact O-N 2.57Å; L99-R101 VanDerWaalsContact O-N 3.17Å; R101-T116 HydrophobicContact CB-CG2 4.41Å
102	I	97	Very high	96.6	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.041	27%	0.269	C	S	.	.	S	Bend	trans	-122.4	130.1	176.6	-62	177.1	0	0	0	107.7	L96 I97 P104 I108 L113 T116	L96-I102 HydrophobicContact CB-CD1 3.72Å; L96-I102 HydrophobicContact CB-CG1 4.08Å; L96-I102 HydrophobicContact CD1-CD1 3.73Å; L96-I102 HydrophobicContact CG-CD1 4.3Å; L96-I102 PolarHBondContact O-N 3.4Å; I97-I102 HydrophobicContact CG1-CB 4.45Å; I102-P104 WeakPolarHBondContact O-CD 3.27Å; I102-I108 HydrophobicContact CG2-CD1 3.72Å; I102-I108 HydrophobicContact CG2-CG1 3.86Å; I102-L113 HydrophobicContact CD1-CD2 3.71Å; I102-T116 HydrophobicContact CD1-CG2 4.1Å; I102-T116 HydrophobicContact CG1-CG2 3.76Å
103	N	96.5	Very high	96.6	Very high	69 Å²	69	51.8 Å²	51.8	37%	0.369	26%	0.257	S	S	.	.			trans	-86.1	116	175	-177.1	9.3	0	0	0	109.7	L105 E106	N103-L105 PolarHBondContact O-N 3.22Å; N103-L105 WeakPolarHBondContact OD1-CB 3.34Å; N103-L105 PolarHBondContact OD1-N 3.18Å; N103-L105 VanDerWaalsContact OD1-N 3.13Å; N103-E106 PolarHBondContact ND2-OE1 2.85Å; N103-E106 VanDerWaalsContact ND2-OE1 3.08Å; N103-E106 PolarHBondContact O-N 2.83Å
104	P	95.9	Very high	96.5	Very high	29 Å²	29	52.1 Å²	52.1	19%	0.188	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.9	179.6	31.5	-36.4	0	0	0	113.5	I97 I102 E106 T143 V145 L250	I97-P104 HydrophobicContact CD1-CB 4.45Å; I97-P104 HydrophobicContact CG2-CB 4.39Å; I97-P104 HydrophobicContact CG2-CG 4.02Å; I102-P104 WeakPolarHBondContact O-CD 3.27Å; P104-E106 PolarHBondContact O-N 3.35Å; P104-T143 HydrophobicContact CB-CG2 3.62Å; P104-T143 HydrophobicContact CG-CG2 3.97Å; P104-V145 HydrophobicContact CB-CG1 4.01Å; P104-L250 WeakPolarHBondContact O-CD2 3.28Å
105	L	95	Very high	96.4	Very high	127 Å²	127	56.2 Å²	56.2	67%	0.665	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.9	177.4	-58	175.6	0	0	0	113.3	N103 L250	N103-L105 PolarHBondContact O-N 3.22Å; N103-L105 WeakPolarHBondContact OD1-CB 3.34Å; N103-L105 PolarHBondContact OD1-N 3.18Å; N103-L105 VanDerWaalsContact OD1-N 3.13Å; L105-L250 WeakPolarHBondContact O-CD1 3.49Å
106	E	95	Very high	96.3	Very high	113 Å²	113	50.9 Å²	50.9	53%	0.528	26%	0.264	S	S	.	.	S	Bend	trans	-117.3	153.9	177.9	-73.5	171.5	-143.7	0	0	109.8	N103 P104 I108	N103-E106 PolarHBondContact ND2-OE1 2.85Å; N103-E106 VanDerWaalsContact ND2-OE1 3.08Å; N103-E106 PolarHBondContact O-N 2.83Å; P104-E106 PolarHBondContact O-N 3.35Å; E106-I108 PolarHBondContact O-N 2.92Å
107	P	96.5	Very high	96	Very high	24 Å²	24	56.2 Å²	56.2	16%	0.156	29%	0.292	C	S	.	.			trans	-65.7	128.7	177.9	27.2	-33.6	0	0	0	110.2	N146 L250 M253	P107-N146 WeakPolarHBondContact CA-O 3.41Å; P107-L250 HydrophobicContact CB-CD1 4.45Å; P107-M253 HydrophobicContact CG-SD 4.2Å
108	I	97.3	Very high	95.9	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-89.3	121.5	179.7	-57.4	176.1	0	0	0	108.3	I102 E106 T112 L113 V145 N146 I147 E148	I102-I108 HydrophobicContact CG2-CD1 3.72Å; I102-I108 HydrophobicContact CG2-CG1 3.86Å; E106-I108 PolarHBondContact O-N 2.92Å; I108-T112 WeakPolarHBondContact CA-OG1 3.48Å; I108-T112 WeakPolarHBondContact CG2-OG1 3.06Å; I108-L113 HydrophobicContact CG2-CD2 4.44Å; I108-L113 HydrophobicContact CG2-CG 4.34Å; I108-V145 HydrophobicContact CD1-CB 3.91Å; I108-V145 HydrophobicContact CD1-CG1 3.77Å; I108-N146 PolarHBondContact N-O 2.67Å; I108-I147 HydrophobicContact CB-CB 4.21Å; I108-I147 HydrophobicContact CB-CG1 3.93Å; I108-I147 HydrophobicContact CG2-CD1 4.04Å; I108-I147 HydrophobicContact CG2-CG1 3.84Å; I108-I147 WeakPolarHBondContact O-CA 3.32Å; I108-E148 PolarHBondContact O-N 3.33Å
109	D	95.7	Very high	95.6	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.027	29%	0.291	C	S	.	.			trans	-134.5	-177.7	174.6	75.1	4	0	0	0	112	S111 T112 L113 K180 K255	D109-S111 PolarHBondContact O-N 2.52Å; D109-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 WeakPolarHBondContact OD1-CA 3Å; D109-S111 WeakPolarHBondContact OD1-CB 3.34Å; D109-S111 PolarHBondContact OD1-N 3.06Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.47Å; D109-T112 PolarHBondContact N-OG1 3.02Å; D109-T112 PolarHBondContact O-N 2.99Å; D109-T112 VanDerWaalsContact O-N 3.1Å; D109-T112 PolarHBondContact O-OG1 2.88Å; D109-T112 PolarHBondContact OD1-N 3.5Å; D109-L113 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-N 3.14Å; D109-K180 WeakPolarHBondContact OD2-CE 2.85Å; D109-K180 IonicContact OD2-NZ 3.88Å; D109-K180 PolarHBondContact OD2-NZ 3.05Å; D109-K255 IonicContact OD2-NZ 3.83Å
110	I	96.8	Very high	95.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-49.5	-40.6	176.1	-68	168.1	0	0	0	112.1	L113 C114 L121 F131 Y172 K180	I110-L113 PolarHBondContact O-N 3.39Å; I110-C114 WeakPolarHBondContact O-CB 3.28Å; I110-C114 PolarHBondContact O-N 3.34Å; I110-C114 PolarHBondContact O-SG 2.84Å; I110-C114 VanDerWaalsContact O-SG 3.41Å; I110-L121 HydrophobicContact CG2-CD1 3.55Å; I110-F131 HydrophobicContact CB-CE2 4.43Å; I110-F131 HydrophobicContact CG1-CD2 4.07Å; I110-F131 HydrophobicContact CG1-CE2 4.33Å; I110-F131 HydrophobicContact CG2-CE2 4.16Å; I110-Y172 HydrophobicContact CD1-CD2 3.56Å; I110-Y172 HydrophobicContact CD1-CE2 3.98Å; I110-Y172 HydrophobicContact CD1-CG 4.49Å; I110-K180 HydrophobicContact CB-CB 4.34Å; I110-K180 HydrophobicContact CB-CD 4.35Å; I110-K180 HydrophobicContact CD1-CD 4.46Å; I110-K180 HydrophobicContact CG2-CB 4.04Å
111	S	95.5	Very high	95.2	Very high	18 Å²	18	54.9 Å²	54.9	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-40.9	-176.7	72.1	0	0	0	0	111.3	D109 L113 C114 N115 K180	D109-S111 PolarHBondContact O-N 2.52Å; D109-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 WeakPolarHBondContact OD1-CA 3Å; D109-S111 WeakPolarHBondContact OD1-CB 3.34Å; D109-S111 PolarHBondContact OD1-N 3.06Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.47Å; S111-L113 VanDerWaalsContact C-N 3.3Å; S111-L113 PolarHBondContact O-N 3.15Å; S111-C114 PolarHBondContact O-N 3.18Å; S111-N115 VanDerWaalsContact O-CB 3.27Å; S111-N115 WeakPolarHBondContact O-CB 3.43Å; S111-N115 PolarHBondContact O-N 2.99Å; S111-N115 PolarHBondContact O-ND2 2.91Å; S111-N115 PolarHBondContact O-OD1 3Å; S111-K180 WeakPolarHBondContact CA-O 3.21Å; S111-K180 WeakPolarHBondContact CB-O 3.35Å
112	T	96	Very high	95	Very high	35 Å²	35	50.8 Å²	50.8	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-39.6	174.9	64.5	0	0	0	0	112.1	I108 D109	I108-T112 WeakPolarHBondContact CA-OG1 3.48Å; I108-T112 WeakPolarHBondContact CG2-OG1 3.06Å; D109-T112 PolarHBondContact N-OG1 3.02Å; D109-T112 PolarHBondContact O-N 2.99Å; D109-T112 VanDerWaalsContact O-N 3.1Å; D109-T112 PolarHBondContact O-OG1 2.88Å; D109-T112 PolarHBondContact OD1-N 3.5Å
113	L	96.7	Very high	94.8	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-45.5	177.8	-68.4	169.7	0	0	0	111.6	I88 I102 I108 D109 I110 S111 N115 T116 F131	I88-L113 HydrophobicContact CD1-CD1 3.85Å; I88-L113 HydrophobicContact CD1-CD2 4.1Å; I88-L113 HydrophobicContact CD1-CG 4.45Å; I102-L113 HydrophobicContact CD1-CD2 3.71Å; I108-L113 HydrophobicContact CG2-CD2 4.44Å; I108-L113 HydrophobicContact CG2-CG 4.34Å; D109-L113 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-N 3.14Å; I110-L113 PolarHBondContact O-N 3.39Å; S111-L113 VanDerWaalsContact C-N 3.3Å; S111-L113 PolarHBondContact O-N 3.15Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.94Å; L113-T116 WeakPolarHBondContact O-CB 3.36Å; L113-T116 PolarHBondContact O-N 2.92Å; L113-T116 PolarHBondContact O-OG1 3.44Å; L113-F131 HydrophobicContact CB-CD2 4.45Å; L113-F131 HydrophobicContact CB-CE2 3.82Å; L113-F131 HydrophobicContact CB-CZ 4.17Å; L113-F131 HydrophobicContact CD1-CD2 3.5Å; L113-F131 HydrophobicContact CD1-CE2 3.75Å; L113-F131 HydrophobicContact CD1-CG 4.05Å; L113-F131 HydrophobicContact CD1-CZ 4.48Å; L113-F131 HydrophobicContact CG-CE2 4.46Å
114	C	95.8	Very high	94.4	Very high	9 Å²	9	54 Å²	54	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-34.2	177.4	-72.8	0	0	0	0	112.6	I110 S111 T116 N117 S181	I110-C114 WeakPolarHBondContact O-CB 3.28Å; I110-C114 PolarHBondContact O-N 3.34Å; I110-C114 PolarHBondContact O-SG 2.84Å; I110-C114 VanDerWaalsContact O-SG 3.41Å; S111-C114 PolarHBondContact O-N 3.18Å; C114-T116 PolarHBondContact O-N 3.36Å; C114-T116 VanDerWaalsContact O-N 3.13Å; C114-N117 PolarHBondContact O-N 2.69Å; C114-S181 WeakPolarHBondContact CB-O 3.41Å
115	N	95	Very high	94.1	Very high	103 Å²	103	59.8 Å²	59.8	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-21.7	176.5	-74.2	-16.3	0	0	0	113.2	S111 L113 N117	S111-N115 VanDerWaalsContact O-CB 3.27Å; S111-N115 WeakPolarHBondContact O-CB 3.43Å; S111-N115 PolarHBondContact O-N 2.99Å; S111-N115 PolarHBondContact O-ND2 2.91Å; S111-N115 PolarHBondContact O-OD1 3Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.94Å; N115-N117 PolarHBondContact O-N 3.04Å
116	T	94.8	Very high	93.9	Very high	17 Å²	17	57.4 Å²	57.4	10%	0.104	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.7	173.1	71	0	0	0	0	113.5	R101 I102 L113 C114 L118	R101-T116 HydrophobicContact CB-CG2 4.41Å; I102-T116 HydrophobicContact CD1-CG2 4.1Å; I102-T116 HydrophobicContact CG1-CG2 3.76Å; L113-T116 WeakPolarHBondContact O-CB 3.36Å; L113-T116 PolarHBondContact O-N 2.92Å; L113-T116 PolarHBondContact O-OG1 3.44Å; C114-T116 PolarHBondContact O-N 3.36Å; C114-T116 VanDerWaalsContact O-N 3.13Å; T116-L118 PolarHBondContact O-N 3.37Å; T116-L118 PolarHBondContact OG1-N 2.97Å
117	N	92.7	Very high	93.8	Very high	116 Å²	116	55.2 Å²	55.2	62%	0.62	27%	0.273	S	S	*	.	S	Bend	trans	58.9	8.2	-173.7	-70.2	-62.4	0	0	0	115.4	C114 N115	C114-N117 PolarHBondContact O-N 2.69Å; N115-N117 PolarHBondContact O-N 3.04Å
118	L	93.8	Very high	93.7	Very high	92 Å²	92	55.7 Å²	55.7	48%	0.482	27%	0.273	S	S	.	.	S	Bend	trans	-85.8	-38.6	175.8	-66.4	173.9	0	0	0	111.6	L96 T116	L96-L118 HydrophobicContact CD2-CD1 3.42Å; L96-L118 VanDerWaalsContact CD2-CD1 3.42Å; T116-L118 PolarHBondContact O-N 3.37Å; T116-L118 PolarHBondContact OG1-N 2.97Å
119	Y	92.8	Very high	93.6	Very high	29 Å²	29	56.6 Å²	56.6	11%	0.114	28%	0.277	C	S	.	.			trans	-109.3	117.1	-179.7	-55.4	-82.3	0	0	0	109.9	I88 E92 L96 F131	I88-Y119 HydrophobicContact CD1-CD1 4.12Å; I88-Y119 HydrophobicContact CD1-CD2 4.08Å; I88-Y119 HydrophobicContact CD1-CE1 4.05Å; I88-Y119 HydrophobicContact CD1-CE2 4.02Å; I88-Y119 HydrophobicContact CD1-CG 4.14Å; I88-Y119 HydrophobicContact CG1-CD1 4.09Å; I88-Y119 HydrophobicContact CG1-CE1 3.69Å; I88-Y119 HydrophobicContact CG1-CE2 4.41Å; E92-Y119 PolarHBondContact OE2-OH 2.87Å; L96-Y119 HydrophobicContact CD1-CE2 3.92Å; Y119-F131 HydrophobicContact CD1-CE1 4.27Å; Y119-F131 HydrophobicContact CG-CE1 4.11Å; Y119-F131 HydrophobicContact CG-CZ 4.39Å
120	R	91	Very high	93.6	Very high	201 Å²	201	56.3 Å²	56.3	76%	0.758	28%	0.275	S	S	*	.			trans	-112.7	117.9	173.9	-67.7	-177.5	178.9	171.4	-0.7	108.6
121	L	93.9	Very high	93.7	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.089	28%	0.276	C	S	.	.			trans	-80.2	122.8	177.4	-65.8	175.8	0	0	0	109.8	C86 I110 V123 Q128 F131 V177	C86-L121 HydrophobicContact CB-CD2 4.04Å; I110-L121 HydrophobicContact CG2-CD1 3.55Å; L121-V123 PolarHBondContact O-N 3.48Å; L121-Q128 VanDerWaalsContact CA-OE1 3.3Å; L121-Q128 HydrophobicContact CD2-CB 4.25Å; L121-F131 HydrophobicContact CD1-CE2 3.98Å; L121-F131 HydrophobicContact CD1-CZ 4.15Å; L121-F131 HydrophobicContact CD2-CD1 4.43Å; L121-F131 HydrophobicContact CD2-CE1 3.84Å; L121-F131 HydrophobicContact CD2-CE2 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.75Å; L121-F131 HydrophobicContact CG-CE2 4.3Å; L121-F131 HydrophobicContact CG-CZ 3.95Å; L121-V177 HydrophobicContact CB-CG1 4.38Å; L121-V177 HydrophobicContact CD1-CG1 3.59Å
122	N	92.4	Very high	93.7	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.262	28%	0.279	S	S	.	.			trans	-94.1	92.8	176.5	-170.7	0	0	0	0	109.8	H125 D126 R127 Q128	N122-H125 PolarHBondContact OD1-N 3.35Å; N122-D126 HydrophobicContact CB-CB 4.17Å; N122-D126 WeakPolarHBondContact CB-OD2 3.37Å; N122-D126 PolarHBondContact ND2-OD2 3.44Å; N122-R127 PolarHBondContact O-N 3.2Å; N122-Q128 PolarHBondContact O-N 3.38Å
123	V	92.1	Very high	93.8	Very high	15 Å²	15	56.2 Å²	56.2	9%	0.091	27%	0.27	C	S	.	.			trans	-76.8	-36.3	-177.6	179.1	0	0	0	0	111.5	L121 R127 L174 V177 W178	L121-V123 PolarHBondContact O-N 3.48Å; V123-R127 WeakPolarHBondContact O-CA 3.44Å; V123-L174 HydrophobicContact CG1-CB 3.83Å; V123-L174 HydrophobicContact CG1-CD2 4.19Å; V123-L174 HydrophobicContact CG1-CG 4.49Å; V123-L174 WeakPolarHBondContact CG1-O 3.44Å; V123-V177 HydrophobicContact CG2-CB 4.32Å; V123-V177 HydrophobicContact CG2-CG1 3.89Å; V123-W178 HydrophobicContact CB-CB 4.44Å; V123-W178 HydrophobicContact CG1-CB 4.25Å; V123-W178 HydrophobicContact CG2-CB 4.15Å
124	D	88.8	Confident	93.9	Very high	129 Å²	129	57 Å²	57	69%	0.69	28%	0.276	S	S	*	.	S	Bend	trans	-78.1	-43.3	-169.4	-65.9	-29.1	0	0	0	113.1
125	H	88.9	Confident	93.9	Very high	152 Å²	152	60.7 Å²	60.7	70%	0.704	30%	0.295	S	S	*	.	S	Bend	trans	-99	-47.8	-175.8	-57.9	-62.5	0	0	0	112.8	N122	N122-H125 PolarHBondContact OD1-N 3.35Å
126	D	90.3	Very high	94	Very high	76 Å²	76	61.5 Å²	61.5	41%	0.406	30%	0.295	S	S	.	.	S	Bend	trans	-94.9	-4.5	-173.1	-58.5	-37.9	0	0	0	112.9	N84 N122 Q128	N84-D126 WeakPolarHBondContact CB-O 3.46Å; N84-D126 PolarHBondContact ND2-O 3.06Å; N122-D126 HydrophobicContact CB-CB 4.17Å; N122-D126 WeakPolarHBondContact CB-OD2 3.37Å; N122-D126 PolarHBondContact ND2-OD2 3.44Å; D126-Q128 VanDerWaalsContact C-N 3.28Å; D126-Q128 HydrophobicContact CB-CG 3.94Å; D126-Q128 PolarHBondContact O-N 3.13Å
127	R	93	Very high	94.1	Very high	68 Å²	68	61.5 Å²	61.5	26%	0.257	30%	0.298	S	S	.	.			trans	49.2	47.6	-179.9	-63.9	-178.3	59.8	164.5	-5.2	112.7	M80 N122 V123 Y129 L174	M80-R127 VanDerWaalsContact CG-NH1 3.28Å; M80-R127 WeakPolarHBondContact O-CD 3.35Å; M80-R127 PolarHBondContact O-NE 3.01Å; M80-R127 VanDerWaalsContact O-NE 3.16Å; M80-R127 PolarHBondContact O-NH1 2.91Å; M80-R127 PolarHBondContact O-NH2 2.84Å; M80-R127 WeakPolarHBondContact SD-CD 3.15Å; M80-R127 HydrophobicContact SD-CG 4.44Å; M80-R127 PolarHBondContact SD-NH1 3.39Å; M80-R127 VanDerWaalsContact SD-NH1 3.41Å; N122-R127 PolarHBondContact O-N 3.2Å; V123-R127 WeakPolarHBondContact O-CA 3.44Å; R127-Y129 PolarHBondContact NH2-OH 2.95Å; R127-Y129 WeakPolarHBondContact O-CD2 3.4Å; R127-Y129 VanDerWaalsContact O-CE2 3.29Å; R127-Y129 WeakPolarHBondContact O-CE2 3.47Å; R127-Y129 PolarHBondContact O-N 2.84Å; R127-L174 HydrophobicContact CB-CD1 4.38Å; R127-L174 HydrophobicContact CB-CD2 4.32Å; R127-L174 HydrophobicContact CG-CD1 4.29Å
128	Q	94.7	Very high	94.3	Very high	34 Å²	34	57.8 Å²	57.8	16%	0.159	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.9	-178.6	-67.3	174.6	-4.5	0	0	110.8	N84 L121 N122 D126	N84-Q128 HydrophobicContact CB-CG 4.44Å; N84-Q128 CarbonylContact O-C 3.56Å; N84-Q128 VanDerWaalsContact O-CA 3.31Å; N84-Q128 WeakPolarHBondContact O-CA 3.39Å; L121-Q128 VanDerWaalsContact CA-OE1 3.3Å; L121-Q128 HydrophobicContact CD2-CB 4.25Å; N122-Q128 PolarHBondContact O-N 3.38Å; D126-Q128 VanDerWaalsContact C-N 3.28Å; D126-Q128 HydrophobicContact CB-CG 3.94Å; D126-Q128 PolarHBondContact O-N 3.13Å
129	Y	95.3	Very high	94.4	Very high	20 Å²	20	59.7 Å²	59.7	8%	0.078	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-5.7	-179.2	-72.1	-95.4	0	0	0	113.4	N83 N84 R127 Q150 Y171 Y172 L174 V177	N83-Y129 HydrophobicContact CB-CD2 3.76Å; N83-Y129 HydrophobicContact CB-CE2 4.08Å; N83-Y129 HydrophobicContact CB-CG 4.31Å; N83-Y129 WeakPolarHBondContact OD1-CE2 3.06Å; N83-Y129 VanDerWaalsContact OD1-CZ 3.29Å; N84-Y129 PolarHBondContact O-N 2.99Å; R127-Y129 PolarHBondContact NH2-OH 2.95Å; R127-Y129 WeakPolarHBondContact O-CD2 3.4Å; R127-Y129 VanDerWaalsContact O-CE2 3.29Å; R127-Y129 WeakPolarHBondContact O-CE2 3.47Å; R127-Y129 PolarHBondContact O-N 2.84Å; Y129-Q150 WeakPolarHBondContact O-CG 3.37Å; Y129-Y171 HydrophobicContact CD1-CE2 4.2Å; Y129-Y171 HydrophobicContact CE1-CE2 4.48Å; Y129-Y172 WeakPolarHBondContact CD1-O 3.24Å; Y129-L174 HydrophobicContact CD1-CD2 3.83Å; Y129-L174 HydrophobicContact CD1-CG 4.25Å; Y129-L174 HydrophobicContact CD2-CD2 3.97Å; Y129-L174 HydrophobicContact CE1-CD2 3.65Å; Y129-L174 HydrophobicContact CE1-CG 3.67Å; Y129-L174 HydrophobicContact CE2-CD2 3.82Å; Y129-L174 HydrophobicContact CE2-CG 4.42Å; Y129-L174 HydrophobicContact CG-CD2 4Å; Y129-V177 WeakPolarHBondContact O-CG2 3.43Å
130	G	96.2	Very high	94.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-139	178.3	0	0	0	0	0	112	L85 C86	L85-G130 WeakPolarHBondContact CA-O 3.22Å; C86-G130 PolarHBondContact N-O 2.87Å
131	F	97.2	Very high	94.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.4	-170.5	-62.1	-71.1	0	0	0	113.6	C86 I88 I110 L113 Y119 L121 Q150 Y151	C86-F131 HydrophobicContact CB-CD1 3.68Å; C86-F131 HydrophobicContact CB-CE1 3.79Å; C86-F131 CarbonylContact O-C 3.51Å; C86-F131 VanDerWaalsContact O-CA 3.22Å; C86-F131 WeakPolarHBondContact O-CA 3.46Å; I88-F131 HydrophobicContact CD1-CB 4.32Å; I88-F131 HydrophobicContact CD1-CD1 3.26Å; I88-F131 HydrophobicContact CD1-CD2 4.38Å; I88-F131 HydrophobicContact CD1-CE1 3.52Å; I88-F131 HydrophobicContact CD1-CG 3.74Å; I88-F131 HydrophobicContact CD1-CZ 4.19Å; I88-F131 HydrophobicContact CG1-CD1 3.71Å; I88-F131 HydrophobicContact CG1-CE1 4.16Å; I88-F131 HydrophobicContact CG1-CG 4.43Å; I110-F131 HydrophobicContact CB-CE2 4.43Å; I110-F131 HydrophobicContact CG1-CD2 4.07Å; I110-F131 HydrophobicContact CG1-CE2 4.33Å; I110-F131 HydrophobicContact CG2-CE2 4.16Å; L113-F131 HydrophobicContact CB-CD2 4.45Å; L113-F131 HydrophobicContact CB-CE2 3.82Å; L113-F131 HydrophobicContact CB-CZ 4.17Å; L113-F131 HydrophobicContact CD1-CD2 3.5Å; L113-F131 HydrophobicContact CD1-CE2 3.75Å; L113-F131 HydrophobicContact CD1-CG 4.05Å; L113-F131 HydrophobicContact CD1-CZ 4.48Å; L113-F131 HydrophobicContact CG-CE2 4.46Å; Y119-F131 HydrophobicContact CD1-CE1 4.27Å; Y119-F131 HydrophobicContact CG-CE1 4.11Å; Y119-F131 HydrophobicContact CG-CZ 4.39Å; L121-F131 HydrophobicContact CD1-CE2 3.98Å; L121-F131 HydrophobicContact CD1-CZ 4.15Å; L121-F131 HydrophobicContact CD2-CD1 4.43Å; L121-F131 HydrophobicContact CD2-CE1 3.84Å; L121-F131 HydrophobicContact CD2-CE2 4.25Å; L121-F131 HydrophobicContact CD2-CZ 3.75Å; L121-F131 HydrophobicContact CG-CE2 4.3Å; L121-F131 HydrophobicContact CG-CZ 3.95Å; F131-Q150 WeakPolarHBondContact O-CB 3.35Å; F131-Q150 PolarHBondContact O-N 2.96Å; F131-Q150 VanDerWaalsContact O-N 3.08Å; F131-Y151 PolarHBondContact O-N 3.42Å
132	H	97.2	Very high	94.9	Very high	44 Å²	44	57.9 Å²	57.9	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.2	166.7	171.6	180	0	0	0	107.7	L85 C86 R87 I88 Y151	L85-H132 HydrophobicContact CB-CB 3.86Å; L85-H132 HydrophobicContact CD1-CB 4.16Å; C86-H132 PolarHBondContact O-N 3.15Å; R87-H132 WeakPolarHBondContact CA-O 3.49Å; R87-H132 HydrophobicContact CG-CB 4.49Å; I88-H132 PolarHBondContact N-O 3.41Å; H132-Y151 WeakPolarHBondContact CA-O 3.32Å; H132-Y151 AromaticContact CD2-CD1 3.37Å; H132-Y151 WeakPolarHBondContact CD2-CD1 3.43Å; H132-Y151 AromaticContact CD2-CE1 3.91Å; H132-Y151 AromaticContact CE1-CD1 3.79Å; H132-Y151 AromaticContact CE1-CE1 3.74Å; H132-Y151 AromaticContact CG-CD1 3.76Å; H132-Y151 AromaticContact ND1-CD1 4Å; H132-Y151 AromaticContact NE2-CD1 3.4Å; H132-Y151 WeakPolarHBondContact NE2-CD1 3.42Å; H132-Y151 AromaticContact NE2-CE1 3.41Å; H132-Y151 WeakPolarHBondContact NE2-CE1 3.45Å
133	L	97.9	Very high	95.1	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.1	174.8	-164.7	64.7	0	0	0	110.4	I88 L90 L93 I147 V149 Y151 V156 V160 I167	I88-L133 HydrophobicContact CG2-CD1 4.39Å; I88-L133 CarbonylContact O-C 3.52Å; I88-L133 VanDerWaalsContact O-CA 3.3Å; I88-L133 WeakPolarHBondContact O-CA 3.45Å; L90-L133 HydrophobicContact CD2-CD1 4.23Å; L90-L133 HydrophobicContact CD2-CD2 3.85Å; L90-L133 HydrophobicContact CD2-CG 4.07Å; L90-L133 HydrophobicContact CG-CG 4.46Å; L93-L133 HydrophobicContact CD1-CD1 4.11Å; L133-I147 HydrophobicContact CD2-CD1 4.34Å; L133-V149 HydrophobicContact CB-CG1 4.25Å; L133-V149 HydrophobicContact CB-CG2 4.33Å; L133-Y151 PolarHBondContact N-O 3.47Å; L133-Y151 VanDerWaalsContact N-O 3.08Å; L133-V156 HydrophobicContact CB-CG1 3.97Å; L133-V156 HydrophobicContact CD2-CG1 3.46Å; L133-V156 VanDerWaalsContact CD2-CG1 3.46Å; L133-V156 HydrophobicContact CG-CG1 3.58Å; L133-V160 HydrophobicContact CD2-CG2 4.46Å; L133-I167 HydrophobicContact CD2-CD1 3.89Å
134	T	97.8	Very high	95.3	Very high	21 Å²	21	58.8 Å²	58.8	13%	0.129	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	159.3	-176	62.7	0	0	0	0	112.7	R87 I88 S89 L90 E136 V156	R87-T134 HydrophobicContact CB-CG2 4.03Å; R87-T134 HydrophobicContact CG-CG2 4.14Å; I88-T134 PolarHBondContact O-N 2.99Å; I88-T134 PolarHBondContact O-OG1 2.96Å; S89-T134 WeakPolarHBondContact CA-OG1 3.11Å; S89-T134 WeakPolarHBondContact CB-OG1 3.31Å; L90-T134 PolarHBondContact N-O 3.46Å; T134-E136 VanDerWaalsContact C-N 3.29Å; T134-E136 PolarHBondContact O-N 2.87Å; T134-V156 VanDerWaalsContact C-CG2 3.43Å
135	D	96.5	Very high	95.6	Very high	86 Å²	86	52.7 Å²	52.7	46%	0.46	28%	0.276	S	S	.	.			trans	-75.2	-6.9	-174.2	60.2	-38.4	0	0	0	114.9	G137 I138 V156	D135-G137 PolarHBondContact O-N 3.18Å; D135-G137 VanDerWaalsContact O-N 3.14Å; D135-I138 HydrophobicContact CB-CD1 3.51Å; D135-I138 HydrophobicContact CB-CG1 4.26Å; D135-I138 WeakPolarHBondContact O-CD1 3.4Å; D135-I138 WeakPolarHBondContact O-CG1 3.33Å; D135-I138 PolarHBondContact O-N 3.05Å; D135-V156 HydrophobicContact CB-CG2 3.98Å
136	E	97.9	Very high	96	Very high	120 Å²	120	46 Å²	46	56%	0.561	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	119.7	178	178	-175.5	-164.4	0	0	110.9	S89 L90 L91 T134	S89-E136 WeakPolarHBondContact CB-O 3.34Å; L90-E136 PolarHBondContact N-O 3.07Å; L91-E136 PolarHBondContact N-O 3.18Å; T134-E136 VanDerWaalsContact C-N 3.29Å; T134-E136 PolarHBondContact O-N 2.87Å
137	G	95.8	Very high	96.4	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	20.7	-178.5	0	0	0	0	0	116	D135 D139 N140 F141	D135-G137 PolarHBondContact O-N 3.18Å; D135-G137 VanDerWaalsContact O-N 3.14Å; G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.4Å; G137-N140 PolarHBondContact O-N 3.38Å; G137-N140 VanDerWaalsContact O-N 3.14Å; G137-F141 PolarHBondContact O-N 3.34Å
138	I	96.3	Very high	96.6	Very high	37 Å²	37	39.9 Å²	39.9	19%	0.19	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-49.6	175	-81.3	163.7	0	0	0	112.5	L90 D135 N140 F141 E155 A159 R162	L90-I138 HydrophobicContact CD1-CB 4.47Å; L90-I138 HydrophobicContact CD1-CG1 3.68Å; D135-I138 HydrophobicContact CB-CD1 3.51Å; D135-I138 HydrophobicContact CB-CG1 4.26Å; D135-I138 WeakPolarHBondContact O-CD1 3.4Å; D135-I138 WeakPolarHBondContact O-CG1 3.33Å; D135-I138 PolarHBondContact O-N 3.05Å; I138-N140 VanDerWaalsContact C-N 3.29Å; I138-N140 PolarHBondContact O-N 3.38Å; I138-F141 PolarHBondContact O-N 2.85Å; I138-E155 HydrophobicContact CD1-CB 3.91Å; I138-A159 HydrophobicContact CB-CB 4.24Å; I138-A159 HydrophobicContact CG1-CB 3.91Å; I138-A159 HydrophobicContact CG2-CB 3.78Å; I138-R162 PolarHBondContact O-NH2 3.47Å
139	D	95.6	Very high	96.7	Very high	132 Å²	132	38.3 Å²	38.3	71%	0.706	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.7	-173.9	-65.6	-38.6	0	0	0	112.7	G137 F141 R162	G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.4Å; D139-F141 VanDerWaalsContact C-N 3.32Å; D139-F141 PolarHBondContact O-N 3.14Å; D139-R162 PolarHBondContact O-NH2 3Å
140	N	96.1	Very high	96.8	Very high	103 Å²	103	37.5 Å²	37.5	55%	0.551	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.5	-176.6	-63.4	-29.9	0	0	0	113.4	G137 I138 V142	G137-N140 PolarHBondContact O-N 3.38Å; G137-N140 VanDerWaalsContact O-N 3.14Å; I138-N140 VanDerWaalsContact C-N 3.29Å; I138-N140 PolarHBondContact O-N 3.38Å; N140-V142 WeakPolarHBondContact O-CG2 3.46Å; N140-V142 PolarHBondContact O-N 3.1Å
141	F	97.2	Very high	96.9	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.224	C	C	.	.			trans	-77.3	117.4	-178.7	-171.9	-104.2	0	0	0	111	L90 L93 Q94 G137 I138 D139 T143 V145 V160 R162 V163	L90-F141 HydrophobicContact CB-CB 4.42Å; L90-F141 HydrophobicContact CB-CD2 4.39Å; L90-F141 HydrophobicContact CD2-CD2 4.11Å; L90-F141 HydrophobicContact CD2-CE2 4.38Å; L90-F141 HydrophobicContact CD2-CG 4.22Å; L93-F141 HydrophobicContact CD2-CE2 3.51Å; L93-F141 HydrophobicContact CD2-CZ 4.1Å; Q94-F141 HydrophobicContact CB-CD2 4.16Å; G137-F141 PolarHBondContact O-N 3.34Å; I138-F141 PolarHBondContact O-N 2.85Å; D139-F141 VanDerWaalsContact C-N 3.32Å; D139-F141 PolarHBondContact O-N 3.14Å; F141-T143 WeakPolarHBondContact CE1-O 3.45Å; F141-T143 WeakPolarHBondContact CZ-O 3.39Å; F141-V145 HydrophobicContact CZ-CG1 4.5Å; F141-V145 HydrophobicContact CZ-CG2 3.83Å; F141-V160 HydrophobicContact CE1-CG2 4.12Å; F141-R162 PolarHBondContact O-NH2 3.47Å; F141-V163 HydrophobicContact CD1-CG2 3.98Å; F141-V163 HydrophobicContact CE1-CG2 4.4Å; F141-V163 WeakPolarHBondContact O-CG2 3.46Å
142	V	96.6	Very high	96.9	Very high	105 Å²	105	42 Å²	42	64%	0.636	23%	0.225	S	C	*	.			trans	-124.7	-13.1	-172.3	-169	0	0	0	0	113.3	N140 V163	N140-V142 WeakPolarHBondContact O-CG2 3.46Å; N140-V142 PolarHBondContact O-N 3.1Å; V142-V163 WeakPolarHBondContact O-CG1 3.21Å
143	T	96	Very high	96.9	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.147	23%	0.225	C	C	.	.			trans	-92.3	126.4	-172.1	-44.8	0	0	0	0	112.5	Q94 I97 P104 F141 V145	Q94-T143 VanDerWaalsContact CD-OG1 3.27Å; Q94-T143 PolarHBondContact NE2-OG1 3.36Å; Q94-T143 PolarHBondContact OE1-OG1 3.41Å; I97-T143 HydrophobicContact CD1-CG2 4.19Å; I97-T143 HydrophobicContact CG2-CG2 4.09Å; P104-T143 HydrophobicContact CB-CG2 3.62Å; P104-T143 HydrophobicContact CG-CG2 3.97Å; F141-T143 WeakPolarHBondContact CE1-O 3.45Å; F141-T143 WeakPolarHBondContact CZ-O 3.39Å; T143-V145 HydrophobicContact CG2-CG1 4.26Å; T143-V145 PolarHBondContact O-N 2.9Å
144	P	95.5	Very high	96.9	Very high	59 Å²	59	43.9 Å²	43.9	38%	0.383	24%	0.239	S	C	.	.			trans	-72.1	121.6	173.3	28.4	-32.6	0	0	0	109.7	V163	P144-V163 HydrophobicContact CB-CG1 4.19Å
145	V	96.6	Very high	96.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.253	C	S	.	.			trans	-130.9	145.8	-177.7	-64.8	0	0	0	0	110.9	I97 P104 I108 F141 T143 I147 V160 G165 I166	I97-V145 HydrophobicContact CD1-CG1 3.78Å; P104-V145 HydrophobicContact CB-CG1 4.01Å; I108-V145 HydrophobicContact CD1-CB 3.91Å; I108-V145 HydrophobicContact CD1-CG1 3.77Å; F141-V145 HydrophobicContact CZ-CG1 4.5Å; F141-V145 HydrophobicContact CZ-CG2 3.83Å; T143-V145 HydrophobicContact CG2-CG1 4.26Å; T143-V145 PolarHBondContact O-N 2.9Å; V145-I147 HydrophobicContact CG2-CB 4.17Å; V145-I147 HydrophobicContact CG2-CG2 4.1Å; V145-V160 HydrophobicContact CG2-CG1 4.27Å; V145-G165 CarbonylContact O-C 3.59Å; V145-G165 WeakPolarHBondContact O-CA 3.44Å; V145-I166 PolarHBondContact O-N 2.93Å
146	N	97.1	Very high	96.9	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.07	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	102.4	162.6	-178.4	3.6	0	0	0	107.4	P107 I108 I166 L250 M251 M253	P107-N146 WeakPolarHBondContact CA-O 3.41Å; I108-N146 PolarHBondContact N-O 2.67Å; N146-I166 CarbonylContact C-O 3.19Å; N146-I166 WeakPolarHBondContact CA-O 3.47Å; N146-L250 HydrophobicContact CB-CD1 4.34Å; N146-L250 HydrophobicContact CB-CG 4.15Å; N146-L250 PolarHBondContact ND2-O 3.44Å; N146-M251 HydrophobicContact CB-CE 4.42Å; N146-M251 HydrophobicContact CB-SD 4.06Å; N146-M253 PolarHBondContact ND2-O 3.04Å
147	I	97.7	Very high	96.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.2	-173.8	-168.6	173.6	0	0	0	112	L93 I108 L133 V145 V149 V160 I166 I167 C168	L93-I147 HydrophobicContact CD1-CD1 3.28Å; I108-I147 HydrophobicContact CB-CB 4.21Å; I108-I147 HydrophobicContact CB-CG1 3.93Å; I108-I147 HydrophobicContact CG2-CD1 4.04Å; I108-I147 HydrophobicContact CG2-CG1 3.84Å; I108-I147 WeakPolarHBondContact O-CA 3.32Å; L133-I147 HydrophobicContact CD2-CD1 4.34Å; V145-I147 HydrophobicContact CG2-CB 4.17Å; V145-I147 HydrophobicContact CG2-CG2 4.1Å; I147-V149 HydrophobicContact CD1-CG1 3.91Å; I147-V149 HydrophobicContact CG1-CG1 3.94Å; I147-V160 HydrophobicContact CG2-CG1 4.48Å; I147-I166 PolarHBondContact N-O 2.63Å; I147-I167 HydrophobicContact CG2-CB 4.13Å; I147-I167 HydrophobicContact CG2-CD1 4.29Å; I147-I167 HydrophobicContact CG2-CG1 3.98Å; I147-I167 CarbonylContact O-C 3.45Å; I147-I167 WeakPolarHBondContact O-CA 3.49Å; I147-C168 PolarHBondContact O-N 2.92Å
148	E	97.3	Very high	97	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.7	171.7	-172.8	-174.5	103.7	0	0	110.8	I108 C168 R170 Y172 K255	I108-E148 PolarHBondContact O-N 3.33Å; E148-C168 WeakPolarHBondContact CA-O 3.43Å; E148-R170 HydrophobicContact CG-CB 3.69Å; E148-R170 VanDerWaalsContact OE1-CD 3.31Å; E148-R170 WeakPolarHBondContact OE1-CD 3.37Å; E148-R170 IonicContact OE2-CZ 2.76Å; E148-R170 IonicContact OE2-NH1 3.27Å; E148-R170 PolarHBondContact OE2-NH1 2.77Å; E148-Y172 WeakPolarHBondContact OE1-CE2 3.32Å; E148-Y172 PolarHBondContact OE1-OH 3.27Å; E148-K255 IonicContact OE1-NZ 3.54Å; E148-K255 PolarHBondContact OE1-NZ 2.95Å; E148-K255 WeakPolarHBondContact OE2-CE 3.5Å; E148-K255 IonicContact OE2-NZ 2.72Å; E148-K255 PolarHBondContact OE2-NZ 2.9Å
149	V	97.6	Very high	97	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	172.3	177.8	-63.6	0	0	0	0	110.5	L133 I147 A152 I167 C168 N169 R170	L133-V149 HydrophobicContact CB-CG1 4.25Å; L133-V149 HydrophobicContact CB-CG2 4.33Å; I147-V149 HydrophobicContact CD1-CG1 3.91Å; I147-V149 HydrophobicContact CG1-CG1 3.94Å; V149-A152 HydrophobicContact CG2-CB 4.04Å; V149-I167 HydrophobicContact CG2-CD1 3.92Å; V149-I167 HydrophobicContact CG2-CG1 4.09Å; V149-C168 PolarHBondContact N-O 2.99Å; V149-N169 WeakPolarHBondContact CG2-OD1 3.43Å; V149-N169 CarbonylContact O-C 3.53Å; V149-N169 VanDerWaalsContact O-CA 3.24Å; V149-N169 WeakPolarHBondContact O-CA 3.42Å; V149-R170 PolarHBondContact O-N 3.1Å
150	Q	97.2	Very high	97.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.156	C	C	.	.	S	Bend	trans	-90.8	-31	-177.5	-74.3	55.1	61.7	0	0	111.2	L85 Y129 F131 R170 Y207	L85-Q150 HydrophobicContact CD1-CB 4.19Å; L85-Q150 HydrophobicContact CD2-CB 3.66Å; L85-Q150 HydrophobicContact CD2-CG 4.1Å; Y129-Q150 WeakPolarHBondContact O-CG 3.37Å; F131-Q150 WeakPolarHBondContact O-CB 3.35Å; F131-Q150 PolarHBondContact O-N 2.96Å; F131-Q150 VanDerWaalsContact O-N 3.08Å; Q150-R170 PolarHBondContact NE2-O 3.12Å; Q150-Y207 PolarHBondContact O-OH 3.2Å
151	Y	97.7	Very high	97.1	Very high	93 Å²	93	24.2 Å²	24.2	37%	0.365	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.3	177.3	-178.4	-87.9	0	0	0	110.3	L85 F131 H132 L133 F206	L85-Y151 HydrophobicContact CD1-CG 4.49Å; F131-Y151 PolarHBondContact O-N 3.42Å; H132-Y151 WeakPolarHBondContact CA-O 3.32Å; H132-Y151 AromaticContact CD2-CD1 3.37Å; H132-Y151 WeakPolarHBondContact CD2-CD1 3.43Å; H132-Y151 AromaticContact CD2-CE1 3.91Å; H132-Y151 AromaticContact CE1-CD1 3.79Å; H132-Y151 AromaticContact CE1-CE1 3.74Å; H132-Y151 AromaticContact CG-CD1 3.76Å; H132-Y151 AromaticContact ND1-CD1 4Å; H132-Y151 AromaticContact NE2-CD1 3.4Å; H132-Y151 WeakPolarHBondContact NE2-CD1 3.42Å; H132-Y151 AromaticContact NE2-CE1 3.41Å; H132-Y151 WeakPolarHBondContact NE2-CE1 3.45Å; L133-Y151 PolarHBondContact N-O 3.47Å; L133-Y151 VanDerWaalsContact N-O 3.08Å; Y151-F206 HydrophobicContact CD2-CE1 4.2Å; Y151-F206 AromaticContact CD2-CE2 3.93Å; Y151-F206 HydrophobicContact CD2-CE2 3.93Å; Y151-F206 AromaticContact CD2-CZ 3.49Å; Y151-F206 HydrophobicContact CD2-CZ 3.49Å; Y151-F206 VanDerWaalsContact CD2-CZ 3.49Å; Y151-F206 AromaticContact CE2-CE2 3.9Å; Y151-F206 HydrophobicContact CE2-CE2 3.9Å; Y151-F206 AromaticContact CE2-CZ 3.94Å; Y151-F206 HydrophobicContact CE2-CZ 3.94Å; Y151-F206 HydrophobicContact CG-CZ 4.42Å
152	A	97.7	Very high	97	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.1	171.9	0	0	0	0	0	109	V149 V156 I157 I167	V149-A152 HydrophobicContact CG2-CB 4.04Å; A152-V156 HydrophobicContact CB-CG1 4.22Å; A152-I157 HydrophobicContact CB-CD1 4.37Å; A152-I157 HydrophobicContact CB-CG1 3.99Å; A152-I167 HydrophobicContact CB-CD1 3.57Å
153	S	97.2	Very high	97	Very high	30 Å²	30	24.6 Å²	24.6	21%	0.21	13%	0.125	C	C	.	.			trans	-79.4	160.2	173.2	63.7	0	0	0	0	111.6	E155 V156 I157	S153-E155 PolarHBondContact O-N 2.91Å; S153-V156 PolarHBondContact O-N 2.82Å; S153-V156 VanDerWaalsContact O-N 3.16Å; S153-V156 VanDerWaalsContact OG-CG2 3.26Å; S153-V156 WeakPolarHBondContact OG-CG2 3.4Å; S153-V156 PolarHBondContact OG-N 3.05Å; S153-I157 VanDerWaalsContact O-CG1 3.28Å; S153-I157 WeakPolarHBondContact O-CG1 3.45Å; S153-I157 PolarHBondContact O-N 3.31Å
154	D	97	Very high	96.9	Very high	58 Å²	58	23.8 Å²	23.8	31%	0.31	12%	0.121	S	C	.	.	H	α-helix	trans	-52.4	-40.3	175.6	-75.9	12.6	0	0	0	112.9	I157 A158 L229 K232 Y233	D154-I157 PolarHBondContact O-N 3.2Å; D154-A158 WeakPolarHBondContact O-CB 3.49Å; D154-A158 PolarHBondContact O-N 3.35Å; D154-L229 HydrophobicContact CB-CD1 4.47Å; D154-K232 IonicContact OD2-NZ 2.87Å; D154-K232 PolarHBondContact OD2-NZ 3.34Å; D154-Y233 HydrophobicContact CB-CE2 4.32Å; D154-Y233 WeakPolarHBondContact CB-OH 3.39Å
155	E	97.1	Very high	96.9	Very high	91 Å²	91	21 Å²	21	43%	0.425	10%	0.103	S	C	.	.	H	α-helix	trans	-67	-41.3	-178.8	-62.8	175.6	179.1	0	0	111.6	I138 S153 A158 A159 Y233	I138-E155 HydrophobicContact CD1-CB 3.91Å; S153-E155 PolarHBondContact O-N 2.91Å; E155-A158 VanDerWaalsContact O-CB 3.32Å; E155-A158 WeakPolarHBondContact O-CB 3.39Å; E155-A158 PolarHBondContact O-N 3.17Å; E155-A159 WeakPolarHBondContact O-CB 3.32Å; E155-A159 PolarHBondContact O-N 3.26Å; E155-Y233 HydrophobicContact CG-CE1 3.87Å; E155-Y233 WeakPolarHBondContact CG-OH 3.3Å
156	V	97.9	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-41.7	176	170.1	0	0	0	0	110.5	L90 L133 T134 D135 A152 S153 A158 A159 V160 I167	L90-V156 HydrophobicContact CD1-CB 4.48Å; L90-V156 HydrophobicContact CD1-CG1 4.18Å; L90-V156 HydrophobicContact CD1-CG2 4.29Å; L90-V156 HydrophobicContact CD2-CG1 4.3Å; L90-V156 HydrophobicContact CG-CG1 4.3Å; L133-V156 HydrophobicContact CB-CG1 3.97Å; L133-V156 HydrophobicContact CD2-CG1 3.46Å; L133-V156 VanDerWaalsContact CD2-CG1 3.46Å; L133-V156 HydrophobicContact CG-CG1 3.58Å; T134-V156 VanDerWaalsContact C-CG2 3.43Å; D135-V156 HydrophobicContact CB-CG2 3.98Å; A152-V156 HydrophobicContact CB-CG1 4.22Å; S153-V156 PolarHBondContact O-N 2.82Å; S153-V156 VanDerWaalsContact O-N 3.16Å; S153-V156 VanDerWaalsContact OG-CG2 3.26Å; S153-V156 WeakPolarHBondContact OG-CG2 3.4Å; S153-V156 PolarHBondContact OG-N 3.05Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 2.84Å; V156-A159 PolarHBondContact O-N 3.14Å; V156-V160 WeakPolarHBondContact O-CG2 3.33Å; V156-V160 PolarHBondContact O-N 2.86Å; V156-I167 HydrophobicContact CG1-CD1 4.46Å
157	I	97.9	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-45	174.9	-67.4	164	0	0	0	110.1	A152 S153 D154 A159 V160 E161 I167 R213 L229	A152-I157 HydrophobicContact CB-CD1 4.37Å; A152-I157 HydrophobicContact CB-CG1 3.99Å; S153-I157 VanDerWaalsContact O-CG1 3.28Å; S153-I157 WeakPolarHBondContact O-CG1 3.45Å; S153-I157 PolarHBondContact O-N 3.31Å; D154-I157 PolarHBondContact O-N 3.2Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.11Å; I157-V160 PolarHBondContact O-N 3.48Å; I157-E161 HydrophobicContact CG2-CG 4.43Å; I157-E161 WeakPolarHBondContact O-CB 3.45Å; I157-E161 WeakPolarHBondContact O-CG 3.41Å; I157-E161 PolarHBondContact O-N 3.42Å; I157-I167 HydrophobicContact CB-CG2 4.13Å; I157-I167 HydrophobicContact CG1-CD1 4.32Å; I157-I167 HydrophobicContact CG1-CG2 3.84Å; I157-I167 HydrophobicContact CG2-CG2 3.85Å; I157-R213 HydrophobicContact CG2-CG 4.35Å; I157-R213 VanDerWaalsContact CG2-NE 3.27Å; I157-L229 HydrophobicContact CG2-CD1 4.1Å
158	A	97.4	Very high	96.8	Very high	6 Å²	6	22.3 Å²	22.3	5%	0.05	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-47.3	174.2	0	0	0	0	0	111.5	D154 E155 V156 V160 E161 R162 L229 Y233 Y235	D154-A158 WeakPolarHBondContact O-CB 3.49Å; D154-A158 PolarHBondContact O-N 3.35Å; E155-A158 VanDerWaalsContact O-CB 3.32Å; E155-A158 WeakPolarHBondContact O-CB 3.39Å; E155-A158 PolarHBondContact O-N 3.17Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 2.84Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 3.33Å; A158-E161 PolarHBondContact O-N 2.79Å; A158-R162 VanDerWaalsContact O-CB 3.31Å; A158-R162 WeakPolarHBondContact O-CB 3.27Å; A158-R162 PolarHBondContact O-N 2.96Å; A158-L229 VanDerWaalsContact CA-CD2 3.44Å; A158-L229 HydrophobicContact CB-CD2 3.43Å; A158-L229 VanDerWaalsContact CB-CD2 3.43Å; A158-Y233 HydrophobicContact CB-CD1 4.45Å; A158-Y233 HydrophobicContact CB-CD2 3.58Å; A158-Y233 HydrophobicContact CB-CE2 3.98Å; A158-Y233 HydrophobicContact CB-CG 3.85Å; A158-Y235 HydrophobicContact CB-CE1 3.87Å
159	A	97.5	Very high	96.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-32.7	-176.7	0	0	0	0	0	113.3	L90 I138 E155 V156 I157 R162 V163	L90-A159 HydrophobicContact CD1-CB 3.71Å; I138-A159 HydrophobicContact CB-CB 4.24Å; I138-A159 HydrophobicContact CG1-CB 3.91Å; I138-A159 HydrophobicContact CG2-CB 3.78Å; E155-A159 WeakPolarHBondContact O-CB 3.32Å; E155-A159 PolarHBondContact O-N 3.26Å; V156-A159 PolarHBondContact O-N 3.14Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.11Å; A159-R162 VanDerWaalsContact O-CG 3.3Å; A159-R162 WeakPolarHBondContact O-CG 3.41Å; A159-R162 PolarHBondContact O-NE 3.34Å; A159-V163 WeakPolarHBondContact O-CG2 3.32Å
160	V	97.3	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-77.3	-44.1	174.2	175.7	0	0	0	0	110.8	L90 L133 F141 V145 I147 V156 I157 A158 V163 G164 G165 I167	L90-V160 HydrophobicContact CD2-CG2 4.01Å; L133-V160 HydrophobicContact CD2-CG2 4.46Å; F141-V160 HydrophobicContact CE1-CG2 4.12Å; V145-V160 HydrophobicContact CG2-CG1 4.27Å; I147-V160 HydrophobicContact CG2-CG1 4.48Å; V156-V160 WeakPolarHBondContact O-CG2 3.33Å; V156-V160 PolarHBondContact O-N 2.86Å; I157-V160 PolarHBondContact O-N 3.48Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 3.33Å; V160-V163 PolarHBondContact O-N 2.84Å; V160-G164 PolarHBondContact O-N 2.87Å; V160-G165 WeakPolarHBondContact O-CA 2.97Å; V160-G165 PolarHBondContact O-N 3.08Å; V160-I167 HydrophobicContact CG1-CB 4.31Å
161	E	96.4	Very high	96.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-70.3	-32.7	-178.1	-72.6	-178.1	172.8	0	0	113.2	I157 A158 V163 G164 R213 R226 Y235	I157-E161 HydrophobicContact CG2-CG 4.43Å; I157-E161 WeakPolarHBondContact O-CB 3.45Å; I157-E161 WeakPolarHBondContact O-CG 3.41Å; I157-E161 PolarHBondContact O-N 3.42Å; A158-E161 PolarHBondContact O-N 2.79Å; E161-V163 PolarHBondContact O-N 3.34Å; E161-G164 PolarHBondContact O-N 2.88Å; E161-R213 IonicContact OE1-CZ 2.73Å; E161-R213 IonicContact OE1-NE 2.69Å; E161-R213 PolarHBondContact OE1-NE 3.4Å; E161-R213 IonicContact OE1-NH2 2.9Å; E161-R213 PolarHBondContact OE1-NH2 3.26Å; E161-R213 VanDerWaalsContact OE1-NH2 3.15Å; E161-R213 IonicContact OE2-CZ 3.77Å; E161-R213 IonicContact OE2-NE 3.15Å; E161-R213 IonicContact OE2-NH2 2.66Å; E161-R213 PolarHBondContact OE2-NH2 3.2Å; E161-R226 WeakPolarHBondContact OE2-CG 3.37Å; E161-Y235 HydrophobicContact CB-CE2 4.23Å; E161-Y235 PolarHBondContact OE2-OH 3.13Å
162	R	95.5	Very high	96.8	Very high	84 Å²	84	18.5 Å²	18.5	32%	0.317	10%	0.095	S	C	.	.	H	α-helix	trans	-60.6	-33.3	177.3	79.3	-175.9	-177	136.2	8.3	112.2	I138 D139 F141 A158 A159 G164 Y235 I238	I138-R162 PolarHBondContact O-NH2 3.47Å; D139-R162 PolarHBondContact O-NH2 3Å; F141-R162 PolarHBondContact O-NH2 3.47Å; A158-R162 VanDerWaalsContact O-CB 3.31Å; A158-R162 WeakPolarHBondContact O-CB 3.27Å; A158-R162 PolarHBondContact O-N 2.96Å; A159-R162 VanDerWaalsContact O-CG 3.3Å; A159-R162 WeakPolarHBondContact O-CG 3.41Å; A159-R162 PolarHBondContact O-NE 3.34Å; R162-G164 VanDerWaalsContact C-N 3.32Å; R162-Y235 HydrophobicContact CB-CD1 4.19Å; R162-Y235 HydrophobicContact CB-CD2 3.73Å; R162-Y235 HydrophobicContact CB-CE2 4.16Å; R162-Y235 HydrophobicContact CB-CG 3.75Å; R162-I238 WeakPolarHBondContact O-CD1 3.43Å
163	V	94.8	Very high	96.7	Very high	31 Å²	31	19 Å²	19	19%	0.188	10%	0.097	C	C	.	.	H	α-helix	trans	-81.6	-18.3	-179.8	175.5	0	0	0	0	111.1	F141 V142 P144 A159 V160 E161 I238	F141-V163 HydrophobicContact CD1-CG2 3.98Å; F141-V163 HydrophobicContact CE1-CG2 4.4Å; F141-V163 WeakPolarHBondContact O-CG2 3.46Å; V142-V163 WeakPolarHBondContact O-CG1 3.21Å; P144-V163 HydrophobicContact CB-CG1 4.19Å; A159-V163 WeakPolarHBondContact O-CG2 3.32Å; V160-V163 PolarHBondContact O-N 2.84Å; E161-V163 PolarHBondContact O-N 3.34Å; V163-I238 VanDerWaalsContact C-CD1 3.44Å; V163-I238 WeakPolarHBondContact O-CD1 3.07Å
164	G	94.1	Very high	96.6	Very high	7 Å²	7	19.5 Å²	19.5	7%	0.072	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	21.7	-175.1	0	0	0	0	0	112.6	V160 E161 R162 I238 F240	V160-G164 PolarHBondContact O-N 2.87Å; E161-G164 PolarHBondContact O-N 2.88Å; R162-G164 VanDerWaalsContact C-N 3.32Å; G164-I238 VanDerWaalsContact CA-CD1 3.46Å; G164-I238 VanDerWaalsContact N-CD1 3.34Å; G164-F240 WeakPolarHBondContact O-CE1 3.3Å
165	G	95.6	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.			trans	-79.6	173.5	165.7	0	0	0	0	0	112.7	V145 V160	V145-G165 CarbonylContact O-C 3.59Å; V145-G165 WeakPolarHBondContact O-CA 3.44Å; V160-G165 WeakPolarHBondContact O-CA 2.97Å; V160-G165 PolarHBondContact O-N 3.08Å
166	I	96.1	Very high	96.5	Very high	19 Å²	19	17.1 Å²	17.1	10%	0.097	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.1	167.3	-68.1	-179.1	0	0	0	107.3	V145 N146 I147 F240 M251	V145-I166 PolarHBondContact O-N 2.93Å; N146-I166 CarbonylContact C-O 3.19Å; N146-I166 WeakPolarHBondContact CA-O 3.47Å; I147-I166 PolarHBondContact N-O 2.63Å; I166-F240 HydrophobicContact CD1-CE2 3.75Å; I166-F240 HydrophobicContact CD1-CZ 3.73Å; I166-F240 HydrophobicContact CG1-CE1 4.39Å; I166-F240 HydrophobicContact CG1-CE2 3.94Å; I166-F240 HydrophobicContact CG1-CZ 3.52Å; I166-M251 HydrophobicContact CB-SD 4.01Å; I166-M251 HydrophobicContact CD1-CB 3.59Å; I166-M251 HydrophobicContact CD1-CG 4.16Å; I166-M251 VanDerWaalsContact CD1-O 3.26Å; I166-M251 WeakPolarHBondContact CD1-O 3.44Å; I166-M251 HydrophobicContact CD1-SD 3.9Å; I166-M251 HydrophobicContact CG1-CB 4.44Å; I166-M251 HydrophobicContact CG1-SD 3.71Å
167	I	97.3	Very high	96.4	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.2	172.8	-172	161.8	0	0	0	109.2	L133 I147 V149 A152 V156 I157 V160 R213	L133-I167 HydrophobicContact CD2-CD1 3.89Å; I147-I167 HydrophobicContact CG2-CB 4.13Å; I147-I167 HydrophobicContact CG2-CD1 4.29Å; I147-I167 HydrophobicContact CG2-CG1 3.98Å; I147-I167 CarbonylContact O-C 3.45Å; I147-I167 WeakPolarHBondContact O-CA 3.49Å; V149-I167 HydrophobicContact CG2-CD1 3.92Å; V149-I167 HydrophobicContact CG2-CG1 4.09Å; A152-I167 HydrophobicContact CB-CD1 3.57Å; V156-I167 HydrophobicContact CG1-CD1 4.46Å; I157-I167 HydrophobicContact CB-CG2 4.13Å; I157-I167 HydrophobicContact CG1-CD1 4.32Å; I157-I167 HydrophobicContact CG1-CG2 3.84Å; I157-I167 HydrophobicContact CG2-CG2 3.85Å; V160-I167 HydrophobicContact CG1-CB 4.31Å; I167-R213 HydrophobicContact CG2-CB 4.49Å; I167-R213 HydrophobicContact CG2-CG 4.25Å; I167-R213 WeakPolarHBondContact O-CB 3.37Å
168	C	96.9	Very high	96.3	Very high	20 Å²	20	20.4 Å²	20.4	14%	0.135	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.7	174.8	-175.2	0	0	0	0	109.9	I147 E148 V149	I147-C168 PolarHBondContact O-N 2.92Å; E148-C168 WeakPolarHBondContact CA-O 3.43Å; V149-C168 PolarHBondContact N-O 2.99Å
169	N	97.8	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113	174.1	-74.8	-12.4	0	0	0	109.2	V149 F206 Y207 S212 R213 Y215	V149-N169 WeakPolarHBondContact CG2-OD1 3.43Å; V149-N169 CarbonylContact O-C 3.53Å; V149-N169 VanDerWaalsContact O-CA 3.24Å; V149-N169 WeakPolarHBondContact O-CA 3.42Å; N169-F206 HydrophobicContact CB-CE1 4.34Å; N169-Y207 HydrophobicContact CB-CD1 4.47Å; N169-Y207 HydrophobicContact CB-CE1 4.32Å; N169-Y207 WeakPolarHBondContact O-CD1 3.3Å; N169-S212 WeakPolarHBondContact CB-O 3.47Å; N169-S212 VanDerWaalsContact CG-O 3.24Å; N169-S212 PolarHBondContact ND2-O 2.77Å; N169-R213 PolarHBondContact N-O 2.96Å; N169-Y215 WeakPolarHBondContact O-CD1 3.3Å; N169-Y215 PolarHBondContact O-N 3.08Å
170	R	96.9	Very high	96.2	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.026	9%	0.091	C	C	.	.			trans	-121	136.4	179.9	-179.7	178.1	-110.4	113	-1.2	112	E148 V149 Q150 Y172 Y215 K255 D256	E148-R170 HydrophobicContact CG-CB 3.69Å; E148-R170 VanDerWaalsContact OE1-CD 3.31Å; E148-R170 WeakPolarHBondContact OE1-CD 3.37Å; E148-R170 IonicContact OE2-CZ 2.76Å; E148-R170 IonicContact OE2-NH1 3.27Å; E148-R170 PolarHBondContact OE2-NH1 2.77Å; V149-R170 PolarHBondContact O-N 3.1Å; Q150-R170 PolarHBondContact NE2-O 3.12Å; R170-Y172 VanDerWaalsContact CD-CZ 3.44Å; R170-Y172 WeakPolarHBondContact CD-OH 3.37Å; R170-Y172 HydrophobicContact CG-CE2 4.2Å; R170-Y215 HydrophobicContact CB-CD1 4.25Å; R170-Y215 HydrophobicContact CB-CG 4.27Å; R170-Y215 HydrophobicContact CG-CD1 4.16Å; R170-Y215 HydrophobicContact CG-CD2 4.33Å; R170-Y215 HydrophobicContact CG-CE1 4.46Å; R170-Y215 HydrophobicContact CG-CG 4.09Å; R170-K255 VanDerWaalsContact NH2-C 3.3Å; R170-K255 PolarHBondContact NH2-O 3.02Å; R170-D256 PolarHBondContact NH2-O 3.18Å
171	Y	97.3	Very high	96.1	Very high	21 Å²	21	21.4 Å²	21.4	8%	0.082	10%	0.1	C	C	.	.			trans	-82.3	138.8	169.8	-177.6	-103.3	0	0	0	111.8	Y129 D173 P199 L203 Y207	Y129-Y171 HydrophobicContact CD1-CE2 4.2Å; Y129-Y171 HydrophobicContact CE1-CE2 4.48Å; Y171-D173 HydrophobicContact CE1-CB 4.34Å; Y171-P199 VanDerWaalsContact CD1-CA 3.44Å; Y171-P199 HydrophobicContact CD1-CB 3.85Å; Y171-P199 HydrophobicContact CD1-CG 4.5Å; Y171-P199 HydrophobicContact CD2-CB 4.11Å; Y171-P199 HydrophobicContact CE1-CB 4.34Å; Y171-P199 HydrophobicContact CG-CB 3.71Å; Y171-P199 HydrophobicContact CG-CG 4.44Å; Y171-L203 HydrophobicContact CD2-CD1 4.38Å; Y171-L203 HydrophobicContact CE2-CD1 4.16Å; Y171-Y207 AromaticContact CD2-CE2 3.82Å; Y171-Y207 HydrophobicContact CD2-CE2 3.82Å; Y171-Y207 HydrophobicContact CG-CE2 4.09Å
172	Y	96.9	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	12%	0.121	C	C	.	.			trans	-128.4	139.8	165.5	-73.9	-65.3	0	0	0	109.1	I110 Y129 E148 R170 K180 K255 I260	I110-Y172 HydrophobicContact CD1-CD2 3.56Å; I110-Y172 HydrophobicContact CD1-CE2 3.98Å; I110-Y172 HydrophobicContact CD1-CG 4.49Å; Y129-Y172 WeakPolarHBondContact CD1-O 3.24Å; E148-Y172 WeakPolarHBondContact OE1-CE2 3.32Å; E148-Y172 PolarHBondContact OE1-OH 3.27Å; R170-Y172 VanDerWaalsContact CD-CZ 3.44Å; R170-Y172 WeakPolarHBondContact CD-OH 3.37Å; R170-Y172 HydrophobicContact CG-CE2 4.2Å; Y172-K180 HydrophobicContact CD1-CD 4.43Å; Y172-K180 HydrophobicContact CD2-CD 4.27Å; Y172-K180 HydrophobicContact CE1-CD 3.97Å; Y172-K180 HydrophobicContact CE2-CD 3.76Å; Y172-K180 PolarHBondContact OH-NZ 2.94Å; Y172-K255 PolarHBondContact OH-NZ 2.66Å; Y172-I260 PolarHBondContact OH-O 2.65Å
173	D	95.2	Very high	96	Very high	14 Å²	14	22.2 Å²	22.2	8%	0.075	11%	0.112	C	C	.	.			trans	-74.1	160	167.6	68.7	-34.6	0	0	0	110.3	Y171 Y175 S176 V177 K197	Y171-D173 HydrophobicContact CE1-CB 4.34Å; D173-Y175 PolarHBondContact O-N 2.82Å; D173-Y175 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-N 3.28Å; D173-S176 WeakPolarHBondContact OD1-CB 3.41Å; D173-S176 PolarHBondContact OD1-N 2.73Å; D173-S176 VanDerWaalsContact OD1-N 3.13Å; D173-S176 PolarHBondContact OD1-OG 2.86Å; D173-V177 WeakPolarHBondContact O-CG2 3.24Å; D173-V177 PolarHBondContact O-N 2.94Å; D173-K197 HydrophobicContact CB-CB 4.17Å; D173-K197 HydrophobicContact CB-CD 4.37Å; D173-K197 WeakPolarHBondContact OD2-CD 3.44Å; D173-K197 IonicContact OD2-NZ 2.74Å
174	L	95.2	Very high	95.9	Very high	42 Å²	42	27.2 Å²	27.2	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-52.4	-37.3	-178.2	-67.5	178.8	0	0	0	112.5	V123 R127 Y129 V177 W178	V123-L174 HydrophobicContact CG1-CB 3.83Å; V123-L174 HydrophobicContact CG1-CD2 4.19Å; V123-L174 HydrophobicContact CG1-CG 4.49Å; V123-L174 WeakPolarHBondContact CG1-O 3.44Å; R127-L174 HydrophobicContact CB-CD1 4.38Å; R127-L174 HydrophobicContact CB-CD2 4.32Å; R127-L174 HydrophobicContact CG-CD1 4.29Å; Y129-L174 HydrophobicContact CD1-CD2 3.83Å; Y129-L174 HydrophobicContact CD1-CG 4.25Å; Y129-L174 HydrophobicContact CD2-CD2 3.97Å; Y129-L174 HydrophobicContact CE1-CD2 3.65Å; Y129-L174 HydrophobicContact CE1-CG 3.67Å; Y129-L174 HydrophobicContact CE2-CD2 3.82Å; Y129-L174 HydrophobicContact CE2-CG 4.42Å; Y129-L174 HydrophobicContact CG-CD2 4Å; L174-V177 PolarHBondContact O-N 3.49Å; L174-W178 WeakPolarHBondContact O-CB 3.37Å; L174-W178 PolarHBondContact O-N 2.75Å
175	Y	95.7	Very high	96	Very high	97 Å²	97	28.1 Å²	28.1	38%	0.38	14%	0.142	S	C	.	.	H	α-helix	trans	-67	-44	177.3	-166.8	-120.4	0	0	0	112.2	D173 V177 W178 V179 P194	D173-Y175 PolarHBondContact O-N 2.82Å; D173-Y175 VanDerWaalsContact O-N 3.08Å; Y175-V177 VanDerWaalsContact C-N 3.33Å; Y175-V177 PolarHBondContact O-N 3.39Å; Y175-W178 AromaticContact CD2-CE3 3.88Å; Y175-W178 HydrophobicContact CD2-CE3 3.88Å; Y175-W178 HydrophobicContact CD2-CZ3 4.36Å; Y175-W178 AromaticContact CE2-CE3 3.59Å; Y175-W178 HydrophobicContact CE2-CE3 3.59Å; Y175-W178 AromaticContact CE2-CZ3 3.61Å; Y175-W178 HydrophobicContact CE2-CZ3 3.61Å; Y175-W178 PolarHBondContact O-N 3.33Å; Y175-V179 VanDerWaalsContact O-CG2 3.24Å; Y175-V179 WeakPolarHBondContact O-CG2 3.5Å; Y175-V179 PolarHBondContact O-N 2.87Å; Y175-P194 HydrophobicContact CD1-CB 4.06Å; Y175-P194 HydrophobicContact CD1-CG 3.88Å; Y175-P194 HydrophobicContact CE1-CB 3.8Å; Y175-P194 HydrophobicContact CE1-CG 3.59Å
176	S	96.3	Very high	96	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-37.4	174.1	-62.8	0	0	0	0	112.5	D173 V179 K180 I260	D173-S176 PolarHBondContact O-N 3.28Å; D173-S176 WeakPolarHBondContact OD1-CB 3.41Å; D173-S176 PolarHBondContact OD1-N 2.73Å; D173-S176 VanDerWaalsContact OD1-N 3.13Å; D173-S176 PolarHBondContact OD1-OG 2.86Å; S176-V179 PolarHBondContact O-N 3.24Å; S176-K180 WeakPolarHBondContact O-CG 3.24Å; S176-K180 PolarHBondContact O-N 3.48Å; S176-I260 WeakPolarHBondContact OG-CD1 3.44Å
177	V	96.6	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-45.3	176	177.9	0	0	0	0	110.5	L121 V123 Y129 D173 L174 Y175 V179 K180 S181	L121-V177 HydrophobicContact CB-CG1 4.38Å; L121-V177 HydrophobicContact CD1-CG1 3.59Å; V123-V177 HydrophobicContact CG2-CB 4.32Å; V123-V177 HydrophobicContact CG2-CG1 3.89Å; Y129-V177 WeakPolarHBondContact O-CG2 3.43Å; D173-V177 WeakPolarHBondContact O-CG2 3.24Å; D173-V177 PolarHBondContact O-N 2.94Å; L174-V177 PolarHBondContact O-N 3.49Å; Y175-V177 VanDerWaalsContact C-N 3.33Å; Y175-V177 PolarHBondContact O-N 3.39Å; V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 2.89Å; V177-K180 PolarHBondContact O-N 3.17Å; V177-K180 VanDerWaalsContact O-N 3.15Å; V177-S181 WeakPolarHBondContact O-CB 3.13Å; V177-S181 PolarHBondContact O-N 3.26Å; V177-S181 PolarHBondContact O-OG 3.29Å
178	W	95.9	Very high	95.9	Very high	70 Å²	70	34.9 Å²	34.9	27%	0.265	17%	0.174	S	C	.	.	H	α-helix	trans	-58.1	-46.6	175.9	178.3	67.8	0	0	0	111.4	V123 L174 Y175 K180 S181 F186 K189	V123-W178 HydrophobicContact CB-CB 4.44Å; V123-W178 HydrophobicContact CG1-CB 4.25Å; V123-W178 HydrophobicContact CG2-CB 4.15Å; L174-W178 WeakPolarHBondContact O-CB 3.37Å; L174-W178 PolarHBondContact O-N 2.75Å; Y175-W178 AromaticContact CD2-CE3 3.88Å; Y175-W178 HydrophobicContact CD2-CE3 3.88Å; Y175-W178 HydrophobicContact CD2-CZ3 4.36Å; Y175-W178 AromaticContact CE2-CE3 3.59Å; Y175-W178 HydrophobicContact CE2-CE3 3.59Å; Y175-W178 AromaticContact CE2-CZ3 3.61Å; Y175-W178 HydrophobicContact CE2-CZ3 3.61Å; Y175-W178 PolarHBondContact O-N 3.33Å; W178-K180 VanDerWaalsContact C-N 3.33Å; W178-K180 PolarHBondContact O-N 3.46Å; W178-S181 PolarHBondContact O-N 2.88Å; W178-S181 PolarHBondContact O-OG 3.08Å; W178-F186 HydrophobicContact CH2-CD2 4.34Å; W178-F186 AromaticContact CZ3-CD2 3.92Å; W178-F186 HydrophobicContact CZ3-CD2 3.92Å; W178-F186 HydrophobicContact CZ3-CE2 4.44Å; W178-K189 HydrophobicContact CH2-CD 3.84Å; W178-K189 HydrophobicContact CZ2-CD 4.46Å
179	V	96.4	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-40.4	175	171.6	0	0	0	0	112.3	Y175 S176 V177 P183 F186 P194 I260 F261	Y175-V179 VanDerWaalsContact O-CG2 3.24Å; Y175-V179 WeakPolarHBondContact O-CG2 3.5Å; Y175-V179 PolarHBondContact O-N 2.87Å; S176-V179 PolarHBondContact O-N 3.24Å; V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 2.89Å; V179-P183 WeakPolarHBondContact O-CA 3.43Å; V179-F186 HydrophobicContact CB-CD2 4.44Å; V179-F186 HydrophobicContact CB-CG 4.39Å; V179-F186 HydrophobicContact CG1-CD1 3.78Å; V179-F186 HydrophobicContact CG1-CD2 4.35Å; V179-F186 HydrophobicContact CG1-CE1 4.03Å; V179-F186 HydrophobicContact CG1-CG 3.96Å; V179-F186 HydrophobicContact CG1-CZ 4.42Å; V179-F186 HydrophobicContact CG2-CD2 3.66Å; V179-F186 HydrophobicContact CG2-CE2 3.72Å; V179-F186 HydrophobicContact CG2-CG 4.09Å; V179-F186 HydrophobicContact CG2-CZ 4.21Å; V179-P194 HydrophobicContact CG2-CG 4.03Å; V179-I260 HydrophobicContact CG1-CG2 4.26Å; V179-F261 HydrophobicContact CG1-CE2 3.57Å; V179-F261 HydrophobicContact CG1-CZ 3.52Å
180	K	95.5	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-28.8	178.3	-73.8	-171.3	78.6	112.5	0	114.2	D109 I110 S111 Y172 S176 V177 W178 P183 I260 F261	D109-K180 WeakPolarHBondContact OD2-CE 2.85Å; D109-K180 IonicContact OD2-NZ 3.88Å; D109-K180 PolarHBondContact OD2-NZ 3.05Å; I110-K180 HydrophobicContact CB-CB 4.34Å; I110-K180 HydrophobicContact CB-CD 4.35Å; I110-K180 HydrophobicContact CD1-CD 4.46Å; I110-K180 HydrophobicContact CG2-CB 4.04Å; S111-K180 WeakPolarHBondContact CA-O 3.21Å; S111-K180 WeakPolarHBondContact CB-O 3.35Å; Y172-K180 HydrophobicContact CD1-CD 4.43Å; Y172-K180 HydrophobicContact CD2-CD 4.27Å; Y172-K180 HydrophobicContact CE1-CD 3.97Å; Y172-K180 HydrophobicContact CE2-CD 3.76Å; Y172-K180 PolarHBondContact OH-NZ 2.94Å; S176-K180 WeakPolarHBondContact O-CG 3.24Å; S176-K180 PolarHBondContact O-N 3.48Å; V177-K180 PolarHBondContact O-N 3.17Å; V177-K180 VanDerWaalsContact O-N 3.15Å; W178-K180 VanDerWaalsContact C-N 3.33Å; W178-K180 PolarHBondContact O-N 3.46Å; K180-P183 WeakPolarHBondContact O-CD 3.32Å; K180-I260 HydrophobicContact CD-CG2 3.94Å; K180-I260 HydrophobicContact CG-CG2 3.43Å; K180-I260 VanDerWaalsContact CG-CG2 3.43Å; K180-I260 PolarHBondContact NZ-O 2.98Å; K180-F261 HydrophobicContact CG-CE1 4.19Å
181	S	95.4	Very high	95.6	Very high	27 Å²	27	44.4 Å²	44.4	19%	0.189	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-36.1	-176.1	68	0	0	0	0	112.5	C114 V177 W178	C114-S181 WeakPolarHBondContact CB-O 3.41Å; V177-S181 WeakPolarHBondContact O-CB 3.13Å; V177-S181 PolarHBondContact O-N 3.26Å; V177-S181 PolarHBondContact O-OG 3.29Å; W178-S181 PolarHBondContact O-N 2.88Å; W178-S181 PolarHBondContact O-OG 3.08Å
182	D	94.9	Very high	95.5	Very high	85 Å²	85	46 Å²	46	46%	0.455	24%	0.241	S	C	.	.			trans	-140.2	80.8	173.4	-179.3	12	0	0	0	110	Q184 G185 F186	D182-Q184 VanDerWaalsContact C-N 3.26Å; D182-Q184 PolarHBondContact O-N 2.64Å; D182-Q184 PolarHBondContact OD1-N 3.26Å; D182-G185 PolarHBondContact O-N 3.34Å; D182-G185 PolarHBondContact OD1-N 3.03Å; D182-G185 WeakPolarHBondContact OD2-CA 3.23Å; D182-F186 PolarHBondContact O-N 3.43Å
183	P	95.1	Very high	95.5	Very high	20 Å²	20	46 Å²	46	13%	0.13	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-36.2	-178.8	-21	33	0	0	0	111.8	V179 K180 F186 F187 F261	V179-P183 WeakPolarHBondContact O-CA 3.43Å; K180-P183 WeakPolarHBondContact O-CD 3.32Å; P183-F186 PolarHBondContact O-N 3.13Å; P183-F187 HydrophobicContact CB-CD2 4.44Å; P183-F187 HydrophobicContact CB-CE2 3.98Å; P183-F187 WeakPolarHBondContact O-CD2 3.28Å; P183-F187 VanDerWaalsContact O-CG 3.27Å; P183-F187 WeakPolarHBondContact O-CG 3.45Å; P183-F187 PolarHBondContact O-N 3.21Å; P183-F261 HydrophobicContact CB-CE1 3.91Å; P183-F261 HydrophobicContact CB-CZ 3.93Å; P183-F261 HydrophobicContact CG-CE1 3.87Å; P183-F261 HydrophobicContact CG-CZ 4.28Å
184	Q	94	Very high	95.5	Very high	137 Å²	137	46.4 Å²	46.4	64%	0.64	25%	0.245	S	C	*	.	H	α-helix	trans	-66.2	-49.1	-179.8	-175.3	177.1	-4.1	0	0	110.7	D182 F186 F187 M188 I272	D182-Q184 VanDerWaalsContact C-N 3.26Å; D182-Q184 PolarHBondContact O-N 2.64Å; D182-Q184 PolarHBondContact OD1-N 3.26Å; Q184-F186 VanDerWaalsContact C-N 3.25Å; Q184-F186 PolarHBondContact O-N 3.41Å; Q184-F187 PolarHBondContact O-N 2.95Å; Q184-M188 VanDerWaalsContact O-CG 3.28Å; Q184-M188 WeakPolarHBondContact O-CG 3.11Å; Q184-M188 PolarHBondContact O-N 3.48Å; Q184-M188 VanDerWaalsContact O-N 3.08Å; Q184-I272 HydrophobicContact CG-CD1 4.44Å
185	G	94.4	Very high	95.5	Very high	25 Å²	25	46.7 Å²	46.7	26%	0.258	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-35	175.2	0	0	0	0	0	112.7	D182	D182-G185 PolarHBondContact O-N 3.34Å; D182-G185 PolarHBondContact OD1-N 3.03Å; D182-G185 WeakPolarHBondContact OD2-CA 3.23Å
186	F	96	Very high	95.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-51.8	173.7	173.9	-102.8	0	0	0	112.7	W178 V179 D182 P183 Q184 M188 K189 I191 I193	W178-F186 HydrophobicContact CH2-CD2 4.34Å; W178-F186 AromaticContact CZ3-CD2 3.92Å; W178-F186 HydrophobicContact CZ3-CD2 3.92Å; W178-F186 HydrophobicContact CZ3-CE2 4.44Å; V179-F186 HydrophobicContact CB-CD2 4.44Å; V179-F186 HydrophobicContact CB-CG 4.39Å; V179-F186 HydrophobicContact CG1-CD1 3.78Å; V179-F186 HydrophobicContact CG1-CD2 4.35Å; V179-F186 HydrophobicContact CG1-CE1 4.03Å; V179-F186 HydrophobicContact CG1-CG 3.96Å; V179-F186 HydrophobicContact CG1-CZ 4.42Å; V179-F186 HydrophobicContact CG2-CD2 3.66Å; V179-F186 HydrophobicContact CG2-CE2 3.72Å; V179-F186 HydrophobicContact CG2-CG 4.09Å; V179-F186 HydrophobicContact CG2-CZ 4.21Å; D182-F186 PolarHBondContact O-N 3.43Å; P183-F186 PolarHBondContact O-N 3.13Å; Q184-F186 VanDerWaalsContact C-N 3.25Å; Q184-F186 PolarHBondContact O-N 3.41Å; F186-M188 VanDerWaalsContact C-N 3.25Å; F186-M188 PolarHBondContact O-N 3.35Å; F186-K189 WeakPolarHBondContact O-CB 3.27Å; F186-K189 PolarHBondContact O-N 3.04Å; F186-I191 HydrophobicContact CE2-CB 4Å; F186-I191 HydrophobicContact CE2-CD1 4.5Å; F186-I191 HydrophobicContact CE2-CG2 4.19Å; F186-I191 HydrophobicContact CZ-CB 4.03Å; F186-I191 HydrophobicContact CZ-CG2 4.18Å; F186-I193 HydrophobicContact CE1-CG1 4.38Å
187	F	96.4	Very high	95.4	Very high	31 Å²	31	48.1 Å²	48.1	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-31.6	-178.2	-65.7	-43.7	0	0	0	112.7	P183 Q184 K189 G190 I193 F261 L264 V270 I272	P183-F187 HydrophobicContact CB-CD2 4.44Å; P183-F187 HydrophobicContact CB-CE2 3.98Å; P183-F187 WeakPolarHBondContact O-CD2 3.28Å; P183-F187 VanDerWaalsContact O-CG 3.27Å; P183-F187 WeakPolarHBondContact O-CG 3.45Å; P183-F187 PolarHBondContact O-N 3.21Å; Q184-F187 PolarHBondContact O-N 2.95Å; F187-K189 PolarHBondContact O-N 2.94Å; F187-G190 PolarHBondContact O-N 3.45Å; F187-I193 HydrophobicContact CE1-CD1 4Å; F187-I193 HydrophobicContact CE1-CG1 3.89Å; F187-I193 HydrophobicContact CZ-CD1 4.47Å; F187-F261 HydrophobicContact CE1-CE2 4.19Å; F187-F261 HydrophobicContact CZ-CD2 4.22Å; F187-F261 AromaticContact CZ-CE2 3.78Å; F187-F261 HydrophobicContact CZ-CE2 3.78Å; F187-F261 HydrophobicContact CZ-CZ 4.14Å; F187-L264 HydrophobicContact CZ-CD1 4.06Å; F187-V270 HydrophobicContact CD1-CB 3.76Å; F187-V270 HydrophobicContact CD1-CG1 4.48Å; F187-V270 HydrophobicContact CD1-CG2 3.98Å; F187-V270 HydrophobicContact CD2-CG1 4.49Å; F187-V270 HydrophobicContact CE1-CB 4.04Å; F187-V270 HydrophobicContact CE1-CG2 3.72Å; F187-V270 HydrophobicContact CG-CB 4.09Å; F187-V270 HydrophobicContact CG-CG1 4.35Å; F187-V270 HydrophobicContact CZ-CG2 4.15Å; F187-I272 HydrophobicContact CB-CD1 3.68Å; F187-I272 HydrophobicContact CB-CG1 4.1Å
188	M	95.9	Very high	95.4	Very high	132 Å²	132	52 Å²	52	65%	0.65	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.4	173.7	-72.2	-64.1	-67.3	0	0	113.7	Q184 F186 G190 I272	Q184-M188 VanDerWaalsContact O-CG 3.28Å; Q184-M188 WeakPolarHBondContact O-CG 3.11Å; Q184-M188 PolarHBondContact O-N 3.48Å; Q184-M188 VanDerWaalsContact O-N 3.08Å; F186-M188 VanDerWaalsContact C-N 3.25Å; F186-M188 PolarHBondContact O-N 3.35Å; M188-G190 VanDerWaalsContact C-N 3.29Å; M188-I272 HydrophobicContact CG-CD1 3.82Å; M188-I272 HydrophobicContact SD-CD1 3.67Å
189	K	95.7	Very high	95.4	Very high	123 Å²	123	49 Å²	49	54%	0.535	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.1	175.2	-62.9	-177.1	178.6	-162.1	0	113.4	W178 F186 F187 I191	W178-K189 HydrophobicContact CH2-CD 3.84Å; W178-K189 HydrophobicContact CZ2-CD 4.46Å; F186-K189 WeakPolarHBondContact O-CB 3.27Å; F186-K189 PolarHBondContact O-N 3.04Å; F187-K189 PolarHBondContact O-N 2.94Å; K189-I191 VanDerWaalsContact C-N 3.29Å; K189-I191 HydrophobicContact CB-CD1 3.88Å; K189-I191 HydrophobicContact CB-CG1 3.92Å; K189-I191 HydrophobicContact CD-CD1 4.21Å; K189-I191 PolarHBondContact O-N 3.5Å
190	G	94.4	Very high	95.3	Very high	42 Å²	42	51.7 Å²	51.7	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	26.8	-179.2	0	0	0	0	0	114	F187 M188 L269	F187-G190 PolarHBondContact O-N 3.45Å; M188-G190 VanDerWaalsContact C-N 3.29Å; G190-L269 WeakPolarHBondContact O-CD1 3.13Å
191	I	94.7	Very high	95.3	Very high	62 Å²	62	58.3 Å²	58.3	32%	0.318	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-92.6	135.7	177.9	-55.5	172.8	0	0	0	108.2	F186 K189	F186-I191 HydrophobicContact CE2-CB 4Å; F186-I191 HydrophobicContact CE2-CD1 4.5Å; F186-I191 HydrophobicContact CE2-CG2 4.19Å; F186-I191 HydrophobicContact CZ-CB 4.03Å; F186-I191 HydrophobicContact CZ-CG2 4.18Å; K189-I191 VanDerWaalsContact C-N 3.29Å; K189-I191 HydrophobicContact CB-CD1 3.88Å; K189-I191 HydrophobicContact CB-CG1 3.92Å; K189-I191 HydrophobicContact CD-CD1 4.21Å; K189-I191 PolarHBondContact O-N 3.5Å
192	P	94.9	Very high	95.2	Very high	55 Å²	55	62.7 Å²	62.7	36%	0.357	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-63.5	148.6	173.6	27.6	-35	0	0	0	111	P194 W268	P192-P194 WeakPolarHBondContact O-CD 3.47Å; P192-W268 WeakPolarHBondContact CA-O 3.47Å
193	I	96.6	Very high	95.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60	122.5	-177.5	-64.1	168.8	0	0	0	109.5	F186 F187 F261 L264 P266 G267 W268 V270	F186-I193 HydrophobicContact CE1-CG1 4.38Å; F187-I193 HydrophobicContact CE1-CD1 4Å; F187-I193 HydrophobicContact CE1-CG1 3.89Å; F187-I193 HydrophobicContact CZ-CD1 4.47Å; I193-F261 HydrophobicContact CD1-CD2 4.28Å; I193-F261 HydrophobicContact CG2-CD2 4.25Å; I193-F261 HydrophobicContact CG2-CE2 4.49Å; I193-L264 HydrophobicContact CD1-CB 3.73Å; I193-L264 HydrophobicContact CD1-CD1 4Å; I193-L264 HydrophobicContact CD1-CG 4.4Å; I193-P266 CarbonylContact O-C 3.6Å; I193-P266 WeakPolarHBondContact O-CA 3.29Å; I193-G267 PolarHBondContact O-N 2.56Å; I193-W268 HydrophobicContact CD1-CB 4.46Å; I193-W268 WeakPolarHBondContact CG1-O 3.4Å; I193-W268 PolarHBondContact N-O 3.41Å; I193-V270 HydrophobicContact CD1-CG2 4.17Å
194	P	95.5	Very high	95.3	Very high	23 Å²	23	62.8 Å²	62.8	15%	0.149	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-71.3	157.3	177.7	28.5	-32.7	0	0	0	110.8	Y175 V179 P192 I260	Y175-P194 HydrophobicContact CD1-CB 4.06Å; Y175-P194 HydrophobicContact CD1-CG 3.88Å; Y175-P194 HydrophobicContact CE1-CB 3.8Å; Y175-P194 HydrophobicContact CE1-CG 3.59Å; V179-P194 HydrophobicContact CG2-CG 4.03Å; P192-P194 WeakPolarHBondContact O-CD 3.47Å; P194-I260 HydrophobicContact CB-CD1 4.44Å; P194-I260 HydrophobicContact CG-CD1 3.68Å; P194-I260 WeakPolarHBondContact O-CD1 3.43Å
195	K	95	Very high	95.5	Very high	47 Å²	47	60.4 Å²	60.4	20%	0.204	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-81.9	138.5	167.6	62.8	-174.9	176.8	-173	0	110.3	R258 P266 Y288 T291	K195-R258 HydrophobicContact CB-CB 4.48Å; K195-P266 HydrophobicContact CB-CB 3.79Å; K195-P266 HydrophobicContact CB-CG 4.26Å; K195-Y288 PolarHBondContact NZ-O 3.07Å; K195-T291 PolarHBondContact NZ-OXT 3.38Å
196	A	95.7	Very high	95.6	Very high	1 Å²	1	62 Å²	62	1%	0.008	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.3	137.4	174.6	0	0	0	0	0	110.4	R258 I260	A196-R258 PolarHBondContact N-O 3.07Å; A196-R258 WeakPolarHBondContact O-CD 3.41Å; A196-I260 HydrophobicContact CB-CG1 4.1Å
197	K	95.3	Very high	95.7	Very high	127 Å²	127	62.5 Å²	62.5	55%	0.552	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-81.4	151.7	173.8	-63.9	-177.8	-173	169.6	0	110.4	D173	D173-K197 HydrophobicContact CB-CB 4.17Å; D173-K197 HydrophobicContact CB-CD 4.37Å; D173-K197 WeakPolarHBondContact OD2-CD 3.44Å; D173-K197 IonicContact OD2-NZ 2.74Å
198	L	95.3	Very high	95.8	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.435	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-70.1	154.6	171.1	-65.7	173.9	0	0	0	110.4
199	P	96.2	Very high	95.9	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.039	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-59.7	152	174.2	21.6	-31.5	0	0	0	111.8	Y171 L203 I204 Y207 Y215 L216	Y171-P199 VanDerWaalsContact CD1-CA 3.44Å; Y171-P199 HydrophobicContact CD1-CB 3.85Å; Y171-P199 HydrophobicContact CD1-CG 4.5Å; Y171-P199 HydrophobicContact CD2-CB 4.11Å; Y171-P199 HydrophobicContact CE1-CB 4.34Å; Y171-P199 HydrophobicContact CG-CB 3.71Å; Y171-P199 HydrophobicContact CG-CG 4.44Å; P199-L203 HydrophobicContact CB-CB 3.97Å; P199-I204 HydrophobicContact CG-CG1 4.08Å; P199-Y207 HydrophobicContact CB-CD2 3.83Å; P199-Y207 HydrophobicContact CB-CE2 4.26Å; P199-Y207 HydrophobicContact CG-CD2 3.94Å; P199-Y215 WeakPolarHBondContact CD-OH 3.47Å; P199-L216 HydrophobicContact CG-CD1 4.21Å
200	P	94.7	Very high	96	Very high	56 Å²	56	54.9 Å²	54.9	36%	0.364	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-59.9	154.9	169.3	28	-35.9	0	0	0	110.7	T202 L203 I204	P200-T202 PolarHBondContact O-N 3.38Å; P200-L203 HydrophobicContact CG-CB 4.31Å; P200-L203 HydrophobicContact CG-CD1 3.64Å; P200-L203 HydrophobicContact CG-CG 4.01Å; P200-L203 PolarHBondContact O-N 2.92Å; P200-I204 PolarHBondContact O-N 2.94Å
201	N	95.5	Very high	96.1	Very high	140 Å²	140	57.5 Å²	57.5	75%	0.749	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.6	-174.9	-69.1	-1.6	0	0	0	114.2	L203 P205	N201-L203 VanDerWaalsContact C-N 3.28Å; N201-L203 PolarHBondContact O-N 3.39Å; N201-P205 WeakPolarHBondContact O-CD 3.46Å
202	T	94.1	Very high	96.2	Very high	119 Å²	119	55 Å²	55	73%	0.73	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.1	177.5	51.7	0	0	0	0	113.5	P200	P200-T202 PolarHBondContact O-N 3.38Å
203	L	95.4	Very high	96.3	Very high	39 Å²	39	52.7 Å²	52.7	20%	0.204	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-12.2	-175.9	-60.8	173.4	0	0	0	113.2	N83 Y171 P199 P200 N201 P205 F206 Y207	N83-L203 WeakPolarHBondContact ND2-CD1 3.47Å; Y171-L203 HydrophobicContact CD2-CD1 4.38Å; Y171-L203 HydrophobicContact CE2-CD1 4.16Å; P199-L203 HydrophobicContact CB-CB 3.97Å; P200-L203 HydrophobicContact CG-CB 4.31Å; P200-L203 HydrophobicContact CG-CD1 3.64Å; P200-L203 HydrophobicContact CG-CG 4.01Å; P200-L203 PolarHBondContact O-N 2.92Å; N201-L203 VanDerWaalsContact C-N 3.28Å; N201-L203 PolarHBondContact O-N 3.39Å; L203-P205 VanDerWaalsContact C-CD 3.47Å; L203-P205 VanDerWaalsContact C-N 3.32Å; L203-F206 WeakPolarHBondContact O-CB 3.31Å; L203-F206 PolarHBondContact O-N 2.9Å; L203-F206 VanDerWaalsContact O-N 3.07Å; L203-Y207 HydrophobicContact CB-CD2 4.01Å; L203-Y207 HydrophobicContact CB-CE2 3.95Å; L203-Y207 HydrophobicContact CD1-CE2 4.45Å; L203-Y207 VanDerWaalsContact O-CD2 3.3Å; L203-Y207 WeakPolarHBondContact O-CD2 3.32Å; L203-Y207 PolarHBondContact O-N 3.5Å; L203-Y207 VanDerWaalsContact O-N 3.08Å
204	I	96.6	Very high	96.4	Very high	68 Å²	68	53 Å²	53	35%	0.349	29%	0.29	S	S	.	.	H	α-helix	trans	-52.1	-46.7	175.4	-64.7	175.6	0	0	0	111.4	P199 P200 F206 Y207 A208	P199-I204 HydrophobicContact CG-CG1 4.08Å; P200-I204 PolarHBondContact O-N 2.94Å; I204-F206 VanDerWaalsContact C-N 3.25Å; I204-F206 PolarHBondContact O-N 3.29Å; I204-Y207 PolarHBondContact O-N 3.34Å; I204-A208 VanDerWaalsContact O-CB 3.24Å; I204-A208 WeakPolarHBondContact O-CB 3.25Å; I204-A208 PolarHBondContact O-N 3.03Å
205	P	97.6	Very high	96.5	Very high	87 Å²	87	53.2 Å²	53.2	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-58.6	-37.3	178.6	-24.5	34.7	0	0	0	113	N201 L203 N209	N201-P205 WeakPolarHBondContact O-CD 3.46Å; L203-P205 VanDerWaalsContact C-CD 3.47Å; L203-P205 VanDerWaalsContact C-N 3.32Å; P205-N209 WeakPolarHBondContact O-CB 3.44Å; P205-N209 PolarHBondContact O-N 2.91Å; P205-N209 VanDerWaalsContact O-N 3.14Å
206	F	97.4	Very high	96.6	Very high	58 Å²	58	53.9 Å²	53.9	25%	0.254	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-43.4	178.2	178.1	-97.6	0	0	0	112	Y151 N169 L203 I204 S212	Y151-F206 HydrophobicContact CD2-CE1 4.2Å; Y151-F206 AromaticContact CD2-CE2 3.93Å; Y151-F206 HydrophobicContact CD2-CE2 3.93Å; Y151-F206 AromaticContact CD2-CZ 3.49Å; Y151-F206 HydrophobicContact CD2-CZ 3.49Å; Y151-F206 VanDerWaalsContact CD2-CZ 3.49Å; Y151-F206 AromaticContact CE2-CE2 3.9Å; Y151-F206 HydrophobicContact CE2-CE2 3.9Å; Y151-F206 AromaticContact CE2-CZ 3.94Å; Y151-F206 HydrophobicContact CE2-CZ 3.94Å; Y151-F206 HydrophobicContact CG-CZ 4.42Å; N169-F206 HydrophobicContact CB-CE1 4.34Å; L203-F206 WeakPolarHBondContact O-CB 3.31Å; L203-F206 PolarHBondContact O-N 2.9Å; L203-F206 VanDerWaalsContact O-N 3.07Å; I204-F206 VanDerWaalsContact C-N 3.25Å; I204-F206 PolarHBondContact O-N 3.29Å; F206-S212 PolarHBondContact O-OG 2.93Å
207	Y	97.7	Very high	96.6	Very high	13 Å²	13	54.3 Å²	54.3	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-83.5	-12.1	-178.4	-68.9	-67.9	0	0	0	114.3	Q150 N169 Y171 P199 L203 I204 G214 Y215 L216	Q150-Y207 PolarHBondContact O-OH 3.2Å; N169-Y207 HydrophobicContact CB-CD1 4.47Å; N169-Y207 HydrophobicContact CB-CE1 4.32Å; N169-Y207 WeakPolarHBondContact O-CD1 3.3Å; Y171-Y207 AromaticContact CD2-CE2 3.82Å; Y171-Y207 HydrophobicContact CD2-CE2 3.82Å; Y171-Y207 HydrophobicContact CG-CE2 4.09Å; P199-Y207 HydrophobicContact CB-CD2 3.83Å; P199-Y207 HydrophobicContact CB-CE2 4.26Å; P199-Y207 HydrophobicContact CG-CD2 3.94Å; L203-Y207 HydrophobicContact CB-CD2 4.01Å; L203-Y207 HydrophobicContact CB-CE2 3.95Å; L203-Y207 HydrophobicContact CD1-CE2 4.45Å; L203-Y207 VanDerWaalsContact O-CD2 3.3Å; L203-Y207 WeakPolarHBondContact O-CD2 3.32Å; L203-Y207 PolarHBondContact O-N 3.5Å; L203-Y207 VanDerWaalsContact O-N 3.08Å; I204-Y207 PolarHBondContact O-N 3.34Å; Y207-G214 CarbonylContact O-C 3.59Å; Y207-G214 WeakPolarHBondContact O-CA 3.07Å; Y207-Y215 AromaticContact CD1-CD1 4Å; Y207-Y215 HydrophobicContact CD1-CD1 4Å; Y207-Y215 HydrophobicContact CD1-CE1 4.09Å; Y207-Y215 HydrophobicContact CG-CD1 4.27Å; Y207-Y215 AromaticContact CG-CE1 4Å; Y207-Y215 HydrophobicContact CG-CE1 4Å; Y207-Y215 PolarHBondContact O-N 3.07Å; Y207-L216 WeakPolarHBondContact O-CB 3.36Å; Y207-L216 PolarHBondContact O-N 2.84Å
208	A	97.6	Very high	96.7	Very high	47 Å²	47	52.8 Å²	52.8	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-93.5	-14.1	171.7	0	0	0	0	0	113	I204 L216 A217	I204-A208 VanDerWaalsContact O-CB 3.24Å; I204-A208 WeakPolarHBondContact O-CB 3.25Å; I204-A208 PolarHBondContact O-N 3.03Å; A208-L216 HydrophobicContact CB-CB 4.48Å; A208-A217 WeakPolarHBondContact O-CA 3.23Å; A208-A217 VanDerWaalsContact O-CB 3.32Å; A208-A217 WeakPolarHBondContact O-CB 3.36Å
209	N	97.7	Very high	96.7	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	30%	0.299	S	S	.	.			trans	-74.4	137.4	178.6	-169.1	1.8	0	0	0	111.4	P205 E211 S212 G214	P205-N209 WeakPolarHBondContact O-CB 3.44Å; P205-N209 PolarHBondContact O-N 2.91Å; P205-N209 VanDerWaalsContact O-N 3.14Å; N209-E211 PolarHBondContact ND2-OE2 3.45Å; N209-E211 PolarHBondContact OD1-N 2.96Å; N209-E211 VanDerWaalsContact OD1-N 3.1Å; N209-S212 PolarHBondContact O-OG 3.48Å; N209-G214 PolarHBondContact O-N 3.25Å; N209-G214 VanDerWaalsContact O-N 3.12Å
210	A	98	Very high	96.7	Very high	12 Å²	12	58.6 Å²	58.6	10%	0.099	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-25.5	176.3	0	0	0	0	0	112.9	R213 A217 A221 V222 S225	A210-R213 PolarHBondContact O-N 3.32Å; A210-A217 HydrophobicContact CB-CB 4.37Å; A210-A221 HydrophobicContact CB-CB 3.75Å; A210-V222 HydrophobicContact CB-CG2 3.93Å; A210-S225 PolarHBondContact O-OG 2.97Å
211	E	97.4	Very high	96.9	Very high	98 Å²	98	57.7 Å²	57.7	46%	0.458	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-42.2	177.9	-63.9	174.2	156.2	0	0	111.3	N209 R213	N209-E211 PolarHBondContact ND2-OE2 3.45Å; N209-E211 PolarHBondContact OD1-N 2.96Å; N209-E211 VanDerWaalsContact OD1-N 3.1Å; E211-R213 VanDerWaalsContact O-CD 3.23Å; E211-R213 WeakPolarHBondContact O-CD 3.19Å; E211-R213 PolarHBondContact O-N 3.14Å; E211-R213 PolarHBondContact O-NH1 3.46Å
212	S	96.4	Very high	96.9	Very high	8 Å²	8	51.9 Å²	51.9	6%	0.056	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.7	175.3	57.7	0	0	0	0	113.4	N169 F206 N209 G214	N169-S212 WeakPolarHBondContact CB-O 3.47Å; N169-S212 VanDerWaalsContact CG-O 3.24Å; N169-S212 PolarHBondContact ND2-O 2.77Å; F206-S212 PolarHBondContact O-OG 2.93Å; N209-S212 PolarHBondContact O-OG 3.48Å; S212-G214 PolarHBondContact O-N 3.25Å
213	R	97.6	Very high	96.9	Very high	8 Å²	8	48.9 Å²	48.9	3%	0.03	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	40.5	-174	-77.6	59.7	173.2	170.7	-0	112	I157 E161 I167 N169 A210 E211 L229	I157-R213 HydrophobicContact CG2-CG 4.35Å; I157-R213 VanDerWaalsContact CG2-NE 3.27Å; E161-R213 IonicContact OE1-CZ 2.73Å; E161-R213 IonicContact OE1-NE 2.69Å; E161-R213 PolarHBondContact OE1-NE 3.4Å; E161-R213 IonicContact OE1-NH2 2.9Å; E161-R213 PolarHBondContact OE1-NH2 3.26Å; E161-R213 VanDerWaalsContact OE1-NH2 3.15Å; E161-R213 IonicContact OE2-CZ 3.77Å; E161-R213 IonicContact OE2-NE 3.15Å; E161-R213 IonicContact OE2-NH2 2.66Å; E161-R213 PolarHBondContact OE2-NH2 3.2Å; I167-R213 HydrophobicContact CG2-CB 4.49Å; I167-R213 HydrophobicContact CG2-CG 4.25Å; I167-R213 WeakPolarHBondContact O-CB 3.37Å; N169-R213 PolarHBondContact N-O 2.96Å; A210-R213 PolarHBondContact O-N 3.32Å; E211-R213 VanDerWaalsContact O-CD 3.23Å; E211-R213 WeakPolarHBondContact O-CD 3.19Å; E211-R213 PolarHBondContact O-N 3.14Å; E211-R213 PolarHBondContact O-NH1 3.46Å; R213-L229 VanDerWaalsContact NH1-CD1 3.31Å
214	G	97.5	Very high	97	Very high	6 Å²	6	53.9 Å²	53.9	6%	0.062	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-63.6	140	180	0	0	0	0	0	112.5	Y207 N209 S212 L216 A217	Y207-G214 CarbonylContact O-C 3.59Å; Y207-G214 WeakPolarHBondContact O-CA 3.07Å; N209-G214 PolarHBondContact O-N 3.25Å; N209-G214 VanDerWaalsContact O-N 3.12Å; S212-G214 PolarHBondContact O-N 3.25Å; G214-L216 PolarHBondContact O-N 3.14Å; G214-A217 VanDerWaalsContact O-CB 3.22Å; G214-A217 WeakPolarHBondContact O-CB 3.4Å; G214-A217 PolarHBondContact O-N 2.98Å
215	Y	97.2	Very high	97	Very high	28 Å²	28	51.3 Å²	51.3	11%	0.11	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.8	-178.9	80.4	-72.4	0	0	0	114.8	N169 R170 P199 Y207 P257	N169-Y215 WeakPolarHBondContact O-CD1 3.3Å; N169-Y215 PolarHBondContact O-N 3.08Å; R170-Y215 HydrophobicContact CB-CD1 4.25Å; R170-Y215 HydrophobicContact CB-CG 4.27Å; R170-Y215 HydrophobicContact CG-CD1 4.16Å; R170-Y215 HydrophobicContact CG-CD2 4.33Å; R170-Y215 HydrophobicContact CG-CE1 4.46Å; R170-Y215 HydrophobicContact CG-CG 4.09Å; P199-Y215 WeakPolarHBondContact CD-OH 3.47Å; Y207-Y215 AromaticContact CD1-CD1 4Å; Y207-Y215 HydrophobicContact CD1-CD1 4Å; Y207-Y215 HydrophobicContact CD1-CE1 4.09Å; Y207-Y215 HydrophobicContact CG-CD1 4.27Å; Y207-Y215 AromaticContact CG-CE1 4Å; Y207-Y215 HydrophobicContact CG-CE1 4Å; Y207-Y215 PolarHBondContact O-N 3.07Å; Y215-P257 HydrophobicContact CD2-CB 4.23Å; Y215-P257 HydrophobicContact CD2-CG 4.48Å; Y215-P257 HydrophobicContact CE2-CB 3.76Å; Y215-P257 HydrophobicContact CE2-CG 4.44Å
216	L	97.2	Very high	96.9	Very high	61 Å²	61	48.6 Å²	48.6	32%	0.319	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.6	175	-58.8	172.9	0	0	0	112.5	P199 Y207 A208 G214 P257	P199-L216 HydrophobicContact CG-CD1 4.21Å; Y207-L216 WeakPolarHBondContact O-CB 3.36Å; Y207-L216 PolarHBondContact O-N 2.84Å; A208-L216 HydrophobicContact CB-CB 4.48Å; G214-L216 PolarHBondContact O-N 3.14Å; L216-P257 HydrophobicContact CD2-CB 4.12Å; L216-P257 HydrophobicContact CD2-CG 4.22Å
217	A	97.3	Very high	96.9	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-74	150.7	179.9	0	0	0	0	0	111.8	A208 A210 G214 P219 V222	A208-A217 WeakPolarHBondContact O-CA 3.23Å; A208-A217 VanDerWaalsContact O-CB 3.32Å; A208-A217 WeakPolarHBondContact O-CB 3.36Å; A210-A217 HydrophobicContact CB-CB 4.37Å; G214-A217 VanDerWaalsContact O-CB 3.22Å; G214-A217 WeakPolarHBondContact O-CB 3.4Å; G214-A217 PolarHBondContact O-N 2.98Å; A217-P219 WeakPolarHBondContact O-CD 3.07Å; A217-V222 HydrophobicContact CB-CG2 3.78Å
218	D	97	Very high	96.9	Very high	94 Å²	94	55.8 Å²	55.8	50%	0.503	30%	0.299	S	S	.	.			trans	-62.9	123.5	173.9	-177.8	0.3	0	0	0	110.4	E220 A221 V222	D218-E220 PolarHBondContact O-N 3.44Å; D218-E220 PolarHBondContact OD1-N 3.45Å; D218-A221 HydrophobicContact CB-CB 4.05Å; D218-A221 WeakPolarHBondContact O-CB 3.03Å; D218-A221 PolarHBondContact O-N 3.08Å; D218-V222 WeakPolarHBondContact O-CG2 3.47Å; D218-V222 PolarHBondContact O-N 3.17Å
219	P	95.4	Very high	96.8	Very high	79 Å²	79	53.7 Å²	53.7	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-52.9	-35.7	178.8	-27.6	34.7	0	0	0	114.4	A217 V222 A223	A217-P219 WeakPolarHBondContact O-CD 3.07Å; P219-V222 PolarHBondContact O-N 3.39Å; P219-A223 PolarHBondContact O-N 2.88Å; P219-A223 VanDerWaalsContact O-N 3.08Å
220	E	96.2	Very high	96.8	Very high	133 Å²	133	50.6 Å²	50.6	62%	0.621	27%	0.265	S	S	*	.	H	α-helix	trans	-69.6	-38.9	178.8	-66.1	-170	-178.8	0	0	111.9	D218 V222 A223 K224	D218-E220 PolarHBondContact O-N 3.44Å; D218-E220 PolarHBondContact OD1-N 3.45Å; E220-V222 VanDerWaalsContact C-N 3.34Å; E220-A223 PolarHBondContact O-N 2.8Å; E220-K224 PolarHBondContact O-N 2.85Å
221	A	97.5	Very high	96.8	Very high	36 Å²	36	56.8 Å²	56.8	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-37.7	175.5	0	0	0	0	0	111.4	A210 D218 A223 K224 S225	A210-A221 HydrophobicContact CB-CB 3.75Å; D218-A221 HydrophobicContact CB-CB 4.05Å; D218-A221 WeakPolarHBondContact O-CB 3.03Å; D218-A221 PolarHBondContact O-N 3.08Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-K224 PolarHBondContact O-N 3.23Å; A221-S225 PolarHBondContact O-N 2.88Å
222	V	96.5	Very high	96.8	Very high	19 Å²	19	57 Å²	57	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-38.7	174.7	175.9	0	0	0	0	111.5	A210 A217 D218 P219 E220 K224 S225 R226	A210-V222 HydrophobicContact CB-CG2 3.93Å; A217-V222 HydrophobicContact CB-CG2 3.78Å; D218-V222 WeakPolarHBondContact O-CG2 3.47Å; D218-V222 PolarHBondContact O-N 3.17Å; P219-V222 PolarHBondContact O-N 3.39Å; E220-V222 VanDerWaalsContact C-N 3.34Å; V222-K224 VanDerWaalsContact C-N 3.34Å; V222-K224 PolarHBondContact O-N 3.46Å; V222-S225 WeakPolarHBondContact CA-OG 3.46Å; V222-S225 PolarHBondContact O-N 2.95Å; V222-S225 PolarHBondContact O-OG 2.82Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 3.36Å
223	A	94.4	Very high	96.8	Very high	56 Å²	56	60.7 Å²	60.7	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-41.2	175.2	0	0	0	0	0	111.9	P219 E220 A221 I227	P219-A223 PolarHBondContact O-N 2.88Å; P219-A223 VanDerWaalsContact O-N 3.08Å; E220-A223 PolarHBondContact O-N 2.8Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A223-I227 PolarHBondContact O-N 3.39Å
224	K	96.7	Very high	96.7	Very high	144 Å²	144	63.5 Å²	63.5	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-66.3	-43.9	175	-67.6	171.5	-175.2	166.8	0	112	E220 A221 V222 R226 I227 W228	E220-K224 PolarHBondContact O-N 2.85Å; A221-K224 PolarHBondContact O-N 3.23Å; V222-K224 VanDerWaalsContact C-N 3.34Å; V222-K224 PolarHBondContact O-N 3.46Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.4Å; K224-I227 PolarHBondContact O-N 3.16Å; K224-W228 PolarHBondContact O-N 3.22Å
225	S	96.9	Very high	96.6	Very high	13 Å²	13	65 Å²	65	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-32.5	179.5	74.4	0	0	0	0	112.2	A210 A221 V222 W228 L229	A210-S225 PolarHBondContact O-OG 2.97Å; A221-S225 PolarHBondContact O-N 2.88Å; V222-S225 WeakPolarHBondContact CA-OG 3.46Å; V222-S225 PolarHBondContact O-N 2.95Å; V222-S225 PolarHBondContact O-OG 2.82Å; S225-W228 PolarHBondContact O-N 3.19Å; S225-L229 VanDerWaalsContact O-CB 3.27Å; S225-L229 WeakPolarHBondContact O-CB 3.22Å; S225-L229 PolarHBondContact O-N 3.03Å
226	R	96.1	Very high	96.5	Very high	31 Å²	31	74.4 Å²	74.4	12%	0.117	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-45	172.4	-179.9	166.2	179.6	153.1	-1.9	113	E161 V222 K224 W228 L229 A230 F240	E161-R226 WeakPolarHBondContact OE2-CG 3.37Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 3.36Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.4Å; R226-W228 VanDerWaalsContact C-N 3.34Å; R226-L229 PolarHBondContact O-N 3.24Å; R226-A230 VanDerWaalsContact O-CB 3.32Å; R226-A230 WeakPolarHBondContact O-CB 3.44Å; R226-A230 PolarHBondContact O-N 2.67Å; R226-F240 VanDerWaalsContact NH1-CZ 3.32Å
227	I	96.3	Very high	96.2	Very high	92 Å²	92	74 Å²	74	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.8	-63.3	166.8	0	0	0	110.2	A223 K224 A230 Q231	A223-I227 PolarHBondContact O-N 3.39Å; K224-I227 PolarHBondContact O-N 3.16Å; I227-A230 PolarHBondContact O-N 3.35Å; I227-Q231 WeakPolarHBondContact O-CG 3.4Å; I227-Q231 PolarHBondContact O-N 2.93Å
228	W	97	Very high	95.9	Very high	130 Å²	130	76.7 Å²	76.7	49%	0.492	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-44.3	178.5	-177.7	87	0	0	0	112.5	K224 S225 R226 A230 Q231 K232	K224-W228 PolarHBondContact O-N 3.22Å; S225-W228 PolarHBondContact O-N 3.19Å; R226-W228 VanDerWaalsContact C-N 3.34Å; W228-A230 VanDerWaalsContact C-N 3.32Å; W228-A230 PolarHBondContact O-N 3.14Å; W228-Q231 WeakPolarHBondContact O-CB 3.47Å; W228-Q231 PolarHBondContact O-N 3.22Å; W228-Q231 VanDerWaalsContact O-N 3.17Å; W228-K232 HydrophobicContact CE3-CD 4.48Å; W228-K232 HydrophobicContact CH2-CD 3.64Å; W228-K232 HydrophobicContact CZ2-CD 4.46Å; W228-K232 HydrophobicContact CZ3-CD 3.64Å; W228-K232 PolarHBondContact O-N 3.48Å
229	L	97.3	Very high	95.4	Very high	2 Å²	2	77.6 Å²	77.6	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-66.7	-36.7	179.6	-162.7	146.4	0	0	0	111.3	D154 I157 A158 R213 S225 R226 Q231 K232 Y233 Y235	D154-L229 HydrophobicContact CB-CD1 4.47Å; I157-L229 HydrophobicContact CG2-CD1 4.1Å; A158-L229 VanDerWaalsContact CA-CD2 3.44Å; A158-L229 HydrophobicContact CB-CD2 3.43Å; A158-L229 VanDerWaalsContact CB-CD2 3.43Å; R213-L229 VanDerWaalsContact NH1-CD1 3.31Å; S225-L229 VanDerWaalsContact O-CB 3.27Å; S225-L229 WeakPolarHBondContact O-CB 3.22Å; S225-L229 PolarHBondContact O-N 3.03Å; R226-L229 PolarHBondContact O-N 3.24Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; L229-Q231 PolarHBondContact O-N 3.25Å; L229-K232 PolarHBondContact O-N 3.29Å; L229-Y233 HydrophobicContact CD2-CD2 3.67Å; L229-Y233 HydrophobicContact CD2-CE2 4.01Å; L229-Y233 HydrophobicContact CG-CD2 3.94Å; L229-Y233 HydrophobicContact CG-CE2 4Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.16Å; L229-Y235 HydrophobicContact CD2-CE1 3.99Å; L229-Y235 WeakPolarHBondContact CD2-OH 3.26Å
230	A	96.8	Very high	94.9	Very high	2 Å²	2	76 Å²	76	2%	0.017	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-41	171.7	0	0	0	0	0	112.5	R226 I227 W228 G234 Y235 P237	R226-A230 VanDerWaalsContact O-CB 3.32Å; R226-A230 WeakPolarHBondContact O-CB 3.44Å; R226-A230 PolarHBondContact O-N 2.67Å; I227-A230 PolarHBondContact O-N 3.35Å; W228-A230 VanDerWaalsContact C-N 3.32Å; W228-A230 PolarHBondContact O-N 3.14Å; A230-G234 WeakPolarHBondContact O-CA 3.42Å; A230-G234 PolarHBondContact O-N 3.05Å; A230-Y235 CarbonylContact C-O 3.59Å; A230-Y235 HydrophobicContact CB-CD2 3.98Å; A230-Y235 HydrophobicContact CB-CE1 4.26Å; A230-Y235 HydrophobicContact CB-CE2 3.64Å; A230-Y235 HydrophobicContact CB-CG 4.42Å; A230-Y235 WeakPolarHBondContact CB-O 3.22Å; A230-Y235 PolarHBondContact O-N 3.16Å; A230-P237 HydrophobicContact CB-CB 4.2Å; A230-P237 HydrophobicContact CB-CG 4.16Å
231	Q	97.1	Very high	94.4	Very high	141 Å²	141	73.9 Å²	73.9	66%	0.659	38%	0.378	S	S	*	.	H	α-helix	trans	-65.8	-42.4	172.9	-69.7	173.2	-3.4	0	0	112.3	I227 W228 L229 Y233 G234	I227-Q231 WeakPolarHBondContact O-CG 3.4Å; I227-Q231 PolarHBondContact O-N 2.93Å; W228-Q231 WeakPolarHBondContact O-CB 3.47Å; W228-Q231 PolarHBondContact O-N 3.22Å; W228-Q231 VanDerWaalsContact O-N 3.17Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; L229-Q231 PolarHBondContact O-N 3.25Å; Q231-Y233 PolarHBondContact O-N 2.89Å; Q231-G234 PolarHBondContact O-N 3.17Å
232	K	97.7	Very high	93.8	Very high	102 Å²	102	77.1 Å²	77.1	44%	0.443	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-46.5	179.5	179.8	-176.7	177.1	-174	0	112.4	D154 W228 L229	D154-K232 IonicContact OD2-NZ 2.87Å; D154-K232 PolarHBondContact OD2-NZ 3.34Å; W228-K232 HydrophobicContact CE3-CD 4.48Å; W228-K232 HydrophobicContact CH2-CD 3.64Å; W228-K232 HydrophobicContact CZ2-CD 4.46Å; W228-K232 HydrophobicContact CZ3-CD 3.64Å; W228-K232 PolarHBondContact O-N 3.48Å; L229-K232 PolarHBondContact O-N 3.29Å
233	Y	97	Very high	93.3	Very high	86 Å²	86	77.7 Å²	77.7	34%	0.337	40%	0.403	S	S	.	.	H	α-helix	trans	-96	-0.5	-177.5	-69.4	-79.8	0	0	0	114	D154 E155 A158 L229 Q231	D154-Y233 HydrophobicContact CB-CE2 4.32Å; D154-Y233 WeakPolarHBondContact CB-OH 3.39Å; E155-Y233 HydrophobicContact CG-CE1 3.87Å; E155-Y233 WeakPolarHBondContact CG-OH 3.3Å; A158-Y233 HydrophobicContact CB-CD1 4.45Å; A158-Y233 HydrophobicContact CB-CD2 3.58Å; A158-Y233 HydrophobicContact CB-CE2 3.98Å; A158-Y233 HydrophobicContact CB-CG 3.85Å; L229-Y233 HydrophobicContact CD2-CD2 3.67Å; L229-Y233 HydrophobicContact CD2-CE2 4.01Å; L229-Y233 HydrophobicContact CG-CD2 3.94Å; L229-Y233 HydrophobicContact CG-CE2 4Å; L229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L229-Y233 PolarHBondContact O-N 3.16Å; Q231-Y233 PolarHBondContact O-N 2.89Å
234	G	96	Very high	93.1	Very high	68 Å²	68	78 Å²	78	70%	0.701	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	30.9	172.2	0	0	0	0	0	115.5	A230 Q231	A230-G234 WeakPolarHBondContact O-CA 3.42Å; A230-G234 PolarHBondContact O-N 3.05Å; Q231-G234 PolarHBondContact O-N 3.17Å
235	Y	95.9	Very high	92.8	Very high	37 Å²	37	77.4 Å²	77.4	15%	0.145	40%	0.402	C	S	.	.			trans	-111.4	159.6	172.8	67.4	-89.2	0	0	0	111.7	A158 E161 R162 L229 A230	A158-Y235 HydrophobicContact CB-CE1 3.87Å; E161-Y235 HydrophobicContact CB-CE2 4.23Å; E161-Y235 PolarHBondContact OE2-OH 3.13Å; R162-Y235 HydrophobicContact CB-CD1 4.19Å; R162-Y235 HydrophobicContact CB-CD2 3.73Å; R162-Y235 HydrophobicContact CB-CE2 4.16Å; R162-Y235 HydrophobicContact CB-CG 3.75Å; L229-Y235 HydrophobicContact CD2-CE1 3.99Å; L229-Y235 WeakPolarHBondContact CD2-OH 3.26Å; A230-Y235 CarbonylContact C-O 3.59Å; A230-Y235 HydrophobicContact CB-CD2 3.98Å; A230-Y235 HydrophobicContact CB-CE1 4.26Å; A230-Y235 HydrophobicContact CB-CE2 3.64Å; A230-Y235 HydrophobicContact CB-CG 4.42Å; A230-Y235 WeakPolarHBondContact CB-O 3.22Å; A230-Y235 PolarHBondContact O-N 3.16Å
236	R	93.7	Very high	92.5	Very high	226 Å²	226	80.7 Å²	80.7	85%	0.853	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-89.2	125	174.7	-70.5	-176.2	179.4	177.9	0	109.5	I238	R236-I238 PolarHBondContact O-N 3.25Å
237	P	90.6	Very high	92.3	Very high	52 Å²	52	81 Å²	81	34%	0.338	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-65.7	136.2	175.6	27.2	-30.7	0	0	0	109.9	A230	A230-P237 HydrophobicContact CB-CB 4.2Å; A230-P237 HydrophobicContact CB-CG 4.16Å
238	I	91.2	Very high	92.1	Very high	68 Å²	68	80.9 Å²	80.9	35%	0.349	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-84.7	129.6	178.9	-67.9	158.2	0	0	0	110.3	R162 V163 G164 R236	R162-I238 WeakPolarHBondContact O-CD1 3.43Å; V163-I238 VanDerWaalsContact C-CD1 3.44Å; V163-I238 WeakPolarHBondContact O-CD1 3.07Å; G164-I238 VanDerWaalsContact CA-CD1 3.46Å; G164-I238 VanDerWaalsContact N-CD1 3.34Å; R236-I238 PolarHBondContact O-N 3.25Å
239	D	87.6	Confident	91.9	Very high	113 Å²	113	81.3 Å²	81.3	60%	0.604	43%	0.429	S	S	*	.			trans	-85.4	111.9	175.1	-75.2	-24	0	0	0	111.7	S241 S242	D239-S241 PolarHBondContact O-N 2.92Å; D239-S242 PolarHBondContact O-N 3.46Å; D239-S242 PolarHBondContact O-OG 3.29Å
240	F	85.4	Confident	91.7	Very high	46 Å²	46	81.7 Å²	81.7	20%	0.202	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.1	177.9	-57.2	-66.6	0	0	0	114.7	G164 I166 R226 S242 S243 R248 M251	G164-F240 WeakPolarHBondContact O-CE1 3.3Å; I166-F240 HydrophobicContact CD1-CE2 3.75Å; I166-F240 HydrophobicContact CD1-CZ 3.73Å; I166-F240 HydrophobicContact CG1-CE1 4.39Å; I166-F240 HydrophobicContact CG1-CE2 3.94Å; I166-F240 HydrophobicContact CG1-CZ 3.52Å; R226-F240 VanDerWaalsContact NH1-CZ 3.32Å; F240-S242 VanDerWaalsContact C-N 3.26Å; F240-S242 PolarHBondContact O-N 3.3Å; F240-S243 PolarHBondContact O-N 3.29Å; F240-S243 PolarHBondContact O-OG 3.31Å; F240-R248 PolarHBondContact O-NE 3.31Å; F240-M251 HydrophobicContact CD1-CB 4.26Å; F240-M251 HydrophobicContact CD1-CG 3.94Å; F240-M251 HydrophobicContact CE1-CB 4.29Å; F240-M251 HydrophobicContact CE1-CG 3.74Å; F240-M251 HydrophobicContact CE1-SD 4.2Å; F240-M251 HydrophobicContact CZ-CG 4.38Å
241	S	84.2	Confident	91.5	Very high	88 Å²	88	82.2 Å²	82.2	62%	0.615	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.2	175.3	56.6	0	0	0	0	111.6	D239 R248	D239-S241 PolarHBondContact O-N 2.92Å; S241-R248 PolarHBondContact O-NH2 3.16Å
242	S	84.5	Confident	91.3	Very high	103 Å²	103	79.5 Å²	79.5	72%	0.72	43%	0.43	S	S	*	.	S	Bend	trans	-86	-13.9	-179	67	0	0	0	0	114.2	D239 F240	D239-S242 PolarHBondContact O-N 3.46Å; D239-S242 PolarHBondContact O-OG 3.29Å; F240-S242 VanDerWaalsContact C-N 3.26Å; F240-S242 PolarHBondContact O-N 3.3Å
243	S	86.8	Confident	91.1	Very high	31 Å²	31	77.9 Å²	77.9	22%	0.217	43%	0.425	C	S	.	.	S	Bend	trans	-76.3	165.2	-178.3	75.3	0	0	0	0	111.7	F240 T247 R248	F240-S243 PolarHBondContact O-N 3.29Å; F240-S243 PolarHBondContact O-OG 3.31Å; S243-T247 WeakPolarHBondContact CB-OG1 3.48Å; S243-T247 PolarHBondContact OG-OG1 2.96Å; S243-R248 PolarHBondContact O-NH2 3.29Å
244	S	89.7	Confident	90.9	Very high	62 Å²	62	80.8 Å²	80.8	43%	0.434	44%	0.435	S	S	.	.			trans	-56.2	151.8	178.7	64	0	0	0	0	112.2	S246 T247 R248	S244-S246 PolarHBondContact O-N 2.92Å; S244-S246 PolarHBondContact OG-OG 3.44Å; S244-T247 PolarHBondContact N-OG1 3.41Å; S244-T247 PolarHBondContact O-N 3.28Å; S244-T247 VanDerWaalsContact O-N 3.1Å; S244-T247 PolarHBondContact O-OG1 2.9Å; S244-T247 VanDerWaalsContact OG-CG2 3.27Å; S244-T247 WeakPolarHBondContact OG-CG2 3.41Å; S244-T247 PolarHBondContact OG-N 3.11Å; S244-T247 PolarHBondContact OG-OG1 3.46Å; S244-R248 PolarHBondContact O-N 3.11Å
245	E	91.5	Very high	90.8	Very high	132 Å²	132	78 Å²	78	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-57	-37.8	-178.9	-166.3	63.1	-155.6	0	0	112.6	R248 K249	E245-R248 PolarHBondContact O-N 3.41Å; E245-R248 IonicContact OE1-NH1 2.86Å; E245-R248 IonicContact OE2-CZ 3.99Å; E245-R248 IonicContact OE2-NH1 3.94Å; E245-R248 PolarHBondContact OE2-NH1 3.45Å; E245-R248 IonicContact OE2-NH2 3.03Å; E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.27Å
246	S	90.8	Very high	90.7	Very high	82 Å²	82	81.5 Å²	81.5	57%	0.573	43%	0.425	S	S	*	.	H	α-helix	trans	-63.8	-43.8	177.3	55.2	0	0	0	0	112.5	S244 K249 L250	S244-S246 PolarHBondContact O-N 2.92Å; S244-S246 PolarHBondContact OG-OG 3.44Å; S246-K249 PolarHBondContact O-N 3.18Å; S246-L250 WeakPolarHBondContact O-CB 3.18Å; S246-L250 PolarHBondContact O-N 3.37Å
247	T	90.5	Very high	90.7	Very high	38 Å²	38	73.1 Å²	73.1	23%	0.233	40%	0.4	C	S	.	.	H	α-helix	trans	-67.5	-40.7	177.2	55.4	0	0	0	0	111	S243 S244 K249 L250 M251	S243-T247 WeakPolarHBondContact CB-OG1 3.48Å; S243-T247 PolarHBondContact OG-OG1 2.96Å; S244-T247 PolarHBondContact N-OG1 3.41Å; S244-T247 PolarHBondContact O-N 3.28Å; S244-T247 VanDerWaalsContact O-N 3.1Å; S244-T247 PolarHBondContact O-OG1 2.9Å; S244-T247 VanDerWaalsContact OG-CG2 3.27Å; S244-T247 WeakPolarHBondContact OG-CG2 3.41Å; S244-T247 PolarHBondContact OG-N 3.11Å; S244-T247 PolarHBondContact OG-OG1 3.46Å; T247-K249 VanDerWaalsContact C-N 3.33Å; T247-K249 PolarHBondContact O-N 3.28Å; T247-L250 PolarHBondContact O-N 2.93Å; T247-M251 WeakPolarHBondContact O-CB 3.3Å; T247-M251 WeakPolarHBondContact O-CG 3.29Å; T247-M251 PolarHBondContact O-N 2.82Å
248	R	92.2	Very high	90.9	Very high	90 Å²	90	74.1 Å²	74.1	34%	0.34	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.7	-160.9	-175.8	-53.3	133.5	10.6	111.7	F240 S241 S243 S244 E245 M251 S252	F240-R248 PolarHBondContact O-NE 3.31Å; S241-R248 PolarHBondContact O-NH2 3.16Å; S243-R248 PolarHBondContact O-NH2 3.29Å; S244-R248 PolarHBondContact O-N 3.11Å; E245-R248 PolarHBondContact O-N 3.41Å; E245-R248 IonicContact OE1-NH1 2.86Å; E245-R248 IonicContact OE2-CZ 3.99Å; E245-R248 IonicContact OE2-NH1 3.94Å; E245-R248 PolarHBondContact OE2-NH1 3.45Å; E245-R248 IonicContact OE2-NH2 3.03Å; R248-M251 PolarHBondContact O-N 2.79Å; R248-S252 WeakPolarHBondContact O-CB 3.38Å; R248-S252 PolarHBondContact O-N 3.16Å; R248-S252 PolarHBondContact O-OG 2.74Å
249	K	93.3	Very high	91.1	Very high	139 Å²	139	72 Å²	72	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-63.2	-43.6	174.7	-174.7	178.3	-179.7	179.6	0	111.9	E245 S246 T247 S252 M253	E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.27Å; S246-K249 PolarHBondContact O-N 3.18Å; T247-K249 VanDerWaalsContact C-N 3.33Å; T247-K249 PolarHBondContact O-N 3.28Å; K249-S252 PolarHBondContact O-N 3.26Å; K249-S252 PolarHBondContact O-OG 2.94Å; K249-M253 HydrophobicContact CG-CE 4.12Å; K249-M253 VanDerWaalsContact O-CG 3.26Å; K249-M253 WeakPolarHBondContact O-CG 3.4Å; K249-M253 PolarHBondContact O-N 3.47Å
250	L	93.8	Very high	91.5	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-46.1	177.5	177.1	63.3	0	0	0	111.6	P104 L105 P107 N146 S246 T247 S252 M253	P104-L250 WeakPolarHBondContact O-CD2 3.28Å; L105-L250 WeakPolarHBondContact O-CD1 3.49Å; P107-L250 HydrophobicContact CB-CD1 4.45Å; N146-L250 HydrophobicContact CB-CD1 4.34Å; N146-L250 HydrophobicContact CB-CG 4.15Å; N146-L250 PolarHBondContact ND2-O 3.44Å; S246-L250 WeakPolarHBondContact O-CB 3.18Å; S246-L250 PolarHBondContact O-N 3.37Å; T247-L250 PolarHBondContact O-N 2.93Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 2.92Å; L250-M253 WeakPolarHBondContact O-CB 3.11Å; L250-M253 PolarHBondContact O-N 2.89Å
251	M	92.9	Very high	92	Very high	13 Å²	13	65.1 Å²	65.1	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-71.2	-25.2	-177.3	-67.8	-56.2	155.2	0	0	112.9	N146 I166 F240 T247 R248	N146-M251 HydrophobicContact CB-CE 4.42Å; N146-M251 HydrophobicContact CB-SD 4.06Å; I166-M251 HydrophobicContact CB-SD 4.01Å; I166-M251 HydrophobicContact CD1-CB 3.59Å; I166-M251 HydrophobicContact CD1-CG 4.16Å; I166-M251 VanDerWaalsContact CD1-O 3.26Å; I166-M251 WeakPolarHBondContact CD1-O 3.44Å; I166-M251 HydrophobicContact CD1-SD 3.9Å; I166-M251 HydrophobicContact CG1-CB 4.44Å; I166-M251 HydrophobicContact CG1-SD 3.71Å; F240-M251 HydrophobicContact CD1-CB 4.26Å; F240-M251 HydrophobicContact CD1-CG 3.94Å; F240-M251 HydrophobicContact CE1-CB 4.29Å; F240-M251 HydrophobicContact CE1-CG 3.74Å; F240-M251 HydrophobicContact CE1-SD 4.2Å; F240-M251 HydrophobicContact CZ-CG 4.38Å; T247-M251 WeakPolarHBondContact O-CB 3.3Å; T247-M251 WeakPolarHBondContact O-CG 3.29Å; T247-M251 PolarHBondContact O-N 2.82Å; R248-M251 PolarHBondContact O-N 2.79Å
252	S	92.3	Very high	92.4	Very high	84 Å²	84	64 Å²	64	59%	0.587	34%	0.335	S	S	*	.	H	α-helix	trans	-81.3	-14.2	173.9	68.4	0	0	0	0	113.8	R248 K249 L250 R254	R248-S252 WeakPolarHBondContact O-CB 3.38Å; R248-S252 PolarHBondContact O-N 3.16Å; R248-S252 PolarHBondContact O-OG 2.74Å; K249-S252 PolarHBondContact O-N 3.26Å; K249-S252 PolarHBondContact O-OG 2.94Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 2.92Å; S252-R254 PolarHBondContact O-N 2.82Å; S252-R254 VanDerWaalsContact O-N 3.13Å
253	M	93.7	Very high	92.8	Very high	68 Å²	68	62.1 Å²	62.1	34%	0.335	33%	0.332	S	S	.	.			trans	-64.3	117	178.9	-64.6	-167.9	-161.9	0	0	110.8	P107 N146 K249 L250	P107-M253 HydrophobicContact CG-SD 4.2Å; N146-M253 PolarHBondContact ND2-O 3.04Å; K249-M253 HydrophobicContact CG-CE 4.12Å; K249-M253 VanDerWaalsContact O-CG 3.26Å; K249-M253 WeakPolarHBondContact O-CG 3.4Å; K249-M253 PolarHBondContact O-N 3.47Å; L250-M253 WeakPolarHBondContact O-CB 3.11Å; L250-M253 PolarHBondContact O-N 2.89Å
254	R	91.7	Very high	93.2	Very high	147 Å²	147	62.4 Å²	62.4	56%	0.555	33%	0.331	S	S	*	.			trans	-134.4	139.8	170	-66.5	-176.5	173.7	-174.7	-3	108.4	S252	S252-R254 PolarHBondContact O-N 2.82Å; S252-R254 VanDerWaalsContact O-N 3.13Å
255	K	93.9	Very high	93.4	Very high	10 Å²	10	62.8 Å²	62.8	4%	0.043	33%	0.326	C	S	.	.			trans	-79.6	155.6	170.3	-70.6	164.6	-70.1	-168.6	0	109.8	D109 E148 R170 Y172 Q259 H262	D109-K255 IonicContact OD2-NZ 3.83Å; E148-K255 IonicContact OE1-NZ 3.54Å; E148-K255 PolarHBondContact OE1-NZ 2.95Å; E148-K255 WeakPolarHBondContact OE2-CE 3.5Å; E148-K255 IonicContact OE2-NZ 2.72Å; E148-K255 PolarHBondContact OE2-NZ 2.9Å; R170-K255 VanDerWaalsContact NH2-C 3.3Å; R170-K255 PolarHBondContact NH2-O 3.02Å; Y172-K255 PolarHBondContact OH-NZ 2.66Å; K255-Q259 HydrophobicContact CB-CB 4.3Å; K255-Q259 HydrophobicContact CB-CG 4.49Å; K255-H262 VanDerWaalsContact CE-NE2 3.32Å; K255-H262 WeakPolarHBondContact CE-NE2 3.46Å
256	D	93.9	Very high	93.7	Very high	109 Å²	109	57 Å²	57	58%	0.583	30%	0.3	S	S	*	.			trans	-65.1	151.9	166.7	-81.9	-40.8	0	0	0	111.8	R170 R258 Q259	R170-D256 PolarHBondContact NH2-O 3.18Å; D256-R258 PolarHBondContact O-N 3.42Å; D256-R258 VanDerWaalsContact O-N 3.08Å; D256-Q259 HydrophobicContact CB-CB 3.95Å; D256-Q259 WeakPolarHBondContact O-CB 3.37Å; D256-Q259 PolarHBondContact O-N 3.29Å
257	P	94.8	Very high	93.8	Very high	51 Å²	51	53.6 Å²	53.6	33%	0.331	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-33	178.7	-32.4	38.6	0	0	0	114.7	Y215 L216	Y215-P257 HydrophobicContact CD2-CB 4.23Å; Y215-P257 HydrophobicContact CD2-CG 4.48Å; Y215-P257 HydrophobicContact CE2-CB 3.76Å; Y215-P257 HydrophobicContact CE2-CG 4.44Å; L216-P257 HydrophobicContact CD2-CB 4.12Å; L216-P257 HydrophobicContact CD2-CG 4.22Å
258	R	94.7	Very high	94.1	Very high	73 Å²	73	53.2 Å²	53.2	28%	0.275	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.7	-179.5	-63.6	-65.9	-166.3	161.2	6.6	113.8	K195 A196 D256 T291	K195-R258 HydrophobicContact CB-CB 4.48Å; A196-R258 PolarHBondContact N-O 3.07Å; A196-R258 WeakPolarHBondContact O-CD 3.41Å; D256-R258 PolarHBondContact O-N 3.42Å; D256-R258 VanDerWaalsContact O-N 3.08Å; R258-T291 PolarHBondContact NE-O 3.17Å; R258-T291 PolarHBondContact NH2-O 3.23Å; R258-T291 VanDerWaalsContact NH2-O 3.17Å
259	Q	95	Very high	94.2	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.103	27%	0.268	C	S	.	.			trans	-93.5	134.7	-172.5	-175.3	178.9	30.9	0	0	111.7	K255 D256 F261 L264	K255-Q259 HydrophobicContact CB-CB 4.3Å; K255-Q259 HydrophobicContact CB-CG 4.49Å; D256-Q259 HydrophobicContact CB-CB 3.95Å; D256-Q259 WeakPolarHBondContact O-CB 3.37Å; D256-Q259 PolarHBondContact O-N 3.29Å; Q259-F261 WeakPolarHBondContact CG-O 3.2Å; Q259-F261 PolarHBondContact NE2-O 3.4Å; Q259-F261 VanDerWaalsContact NE2-O 3.11Å; Q259-L264 WeakPolarHBondContact CG-O 3.11Å; Q259-L264 PolarHBondContact NE2-O 3.03Å
260	I	95.9	Very high	94.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.247	C	C	.	.			trans	-90	-49.2	-178.3	-62.2	-179.4	0	0	0	111.7	Y172 S176 V179 K180 P194 A196	Y172-I260 PolarHBondContact OH-O 2.65Å; S176-I260 WeakPolarHBondContact OG-CD1 3.44Å; V179-I260 HydrophobicContact CG1-CG2 4.26Å; K180-I260 HydrophobicContact CD-CG2 3.94Å; K180-I260 HydrophobicContact CG-CG2 3.43Å; K180-I260 VanDerWaalsContact CG-CG2 3.43Å; K180-I260 PolarHBondContact NZ-O 2.98Å; P194-I260 HydrophobicContact CB-CD1 4.44Å; P194-I260 HydrophobicContact CG-CD1 3.68Å; P194-I260 WeakPolarHBondContact O-CD1 3.43Å; A196-I260 HydrophobicContact CB-CG1 4.1Å
261	F	96	Very high	94.5	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.066	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-109.4	152.1	-175.6	-62	-69	0	0	0	111.5	V179 K180 P183 F187 I193 Q259 G263 L264	V179-F261 HydrophobicContact CG1-CE2 3.57Å; V179-F261 HydrophobicContact CG1-CZ 3.52Å; K180-F261 HydrophobicContact CG-CE1 4.19Å; P183-F261 HydrophobicContact CB-CE1 3.91Å; P183-F261 HydrophobicContact CB-CZ 3.93Å; P183-F261 HydrophobicContact CG-CE1 3.87Å; P183-F261 HydrophobicContact CG-CZ 4.28Å; F187-F261 HydrophobicContact CE1-CE2 4.19Å; F187-F261 HydrophobicContact CZ-CD2 4.22Å; F187-F261 AromaticContact CZ-CE2 3.78Å; F187-F261 HydrophobicContact CZ-CE2 3.78Å; F187-F261 HydrophobicContact CZ-CZ 4.14Å; I193-F261 HydrophobicContact CD1-CD2 4.28Å; I193-F261 HydrophobicContact CG2-CD2 4.25Å; I193-F261 HydrophobicContact CG2-CE2 4.49Å; Q259-F261 WeakPolarHBondContact CG-O 3.2Å; Q259-F261 PolarHBondContact NE2-O 3.4Å; Q259-F261 VanDerWaalsContact NE2-O 3.11Å; F261-G263 PolarHBondContact O-N 3.2Å; F261-L264 HydrophobicContact CB-CB 4.14Å; F261-L264 HydrophobicContact CB-CD1 4.17Å; F261-L264 HydrophobicContact CD2-CD1 4.38Å; F261-L264 HydrophobicContact CG-CD1 4.45Å
262	H	93.4	Very high	94.5	Very high	65 Å²	65	49 Å²	49	30%	0.301	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	131	170.7	-74.4	-87.2	0	0	0	110.5	K255 L264	K255-H262 VanDerWaalsContact CE-NE2 3.32Å; K255-H262 WeakPolarHBondContact CE-NE2 3.46Å; H262-L264 PolarHBondContact O-N 3.2Å
263	G	92.8	Very high	94.6	Very high	63 Å²	63	50.1 Å²	50.1	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	0.6	174.8	0	0	0	0	0	116.2	F261 W268	F261-G263 PolarHBondContact O-N 3.2Å; G263-W268 WeakPolarHBondContact O-CZ3 3.32Å
264	L	95.1	Very high	94.7	Very high	37 Å²	37	52.4 Å²	52.4	19%	0.194	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-119.9	125.6	173.8	-59	172.2	0	0	0	109.7	F187 I193 Q259 F261 H262 W268 V270 V277	F187-L264 HydrophobicContact CZ-CD1 4.06Å; I193-L264 HydrophobicContact CD1-CB 3.73Å; I193-L264 HydrophobicContact CD1-CD1 4Å; I193-L264 HydrophobicContact CD1-CG 4.4Å; Q259-L264 WeakPolarHBondContact CG-O 3.11Å; Q259-L264 PolarHBondContact NE2-O 3.03Å; F261-L264 HydrophobicContact CB-CB 4.14Å; F261-L264 HydrophobicContact CB-CD1 4.17Å; F261-L264 HydrophobicContact CD2-CD1 4.38Å; F261-L264 HydrophobicContact CG-CD1 4.45Å; H262-L264 PolarHBondContact O-N 3.2Å; L264-W268 HydrophobicContact CB-CE3 4.43Å; L264-W268 HydrophobicContact CD2-CE3 3.96Å; L264-W268 HydrophobicContact CD2-CZ3 4.19Å; L264-V270 HydrophobicContact CD1-CG2 4.36Å; L264-V277 HydrophobicContact CD2-CG2 4.32Å
265	E	94.2	Very high	94.9	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	30%	0.296	S	S	.	.			trans	-87.2	153.7	178.9	-66.3	179.8	179.4	0	0	111.5	W268	E265-W268 HydrophobicContact CB-CD2 4.05Å; E265-W268 HydrophobicContact CB-CG 4.39Å; E265-W268 HydrophobicContact CB-CH2 4.47Å; E265-W268 HydrophobicContact CB-CZ2 3.87Å; E265-W268 HydrophobicContact CG-CH2 4.18Å; E265-W268 HydrophobicContact CG-CZ2 3.77Å; E265-W268 WeakPolarHBondContact O-CB 3.45Å; E265-W268 PolarHBondContact O-N 3.18Å
266	P	96	Very high	95	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.071	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	146.2	170.7	27	-35.3	0	0	0	111.2	I193 K195 W268 H289	I193-P266 CarbonylContact O-C 3.6Å; I193-P266 WeakPolarHBondContact O-CA 3.29Å; K195-P266 HydrophobicContact CB-CB 3.79Å; K195-P266 HydrophobicContact CB-CG 4.26Å; P266-W268 VanDerWaalsContact C-N 3.3Å; P266-W268 PolarHBondContact O-N 2.98Å; P266-H289 HydrophobicContact CB-CB 4.25Å; P266-H289 HydrophobicContact CG-CB 4.37Å; P266-H289 VanDerWaalsContact CG-O 3.23Å; P266-H289 WeakPolarHBondContact CG-O 3.41Å; P266-H289 WeakPolarHBondContact O-CB 3.33Å
267	G	94.4	Very high	95.2	Very high	9 Å²	9	55.1 Å²	55.1	9%	0.093	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-15.5	-177.9	0	0	0	0	0	114.8	I193 H289	I193-G267 PolarHBondContact O-N 2.56Å; G267-H289 VanDerWaalsContact CA-CD2 3.47Å; G267-H289 WeakPolarHBondContact CA-CD2 3.46Å; G267-H289 VanDerWaalsContact CA-CG 3.47Å
268	W	95.7	Very high	95.2	Very high	31 Å²	31	57.3 Å²	57.3	12%	0.117	31%	0.312	C	S	.	.			trans	-72.1	145.1	175.2	-66.5	10.2	0	0	0	110.9	P192 I193 G263 L264 E265 P266 V277 L278 K279	P192-W268 WeakPolarHBondContact CA-O 3.47Å; I193-W268 HydrophobicContact CD1-CB 4.46Å; I193-W268 WeakPolarHBondContact CG1-O 3.4Å; I193-W268 PolarHBondContact N-O 3.41Å; G263-W268 WeakPolarHBondContact O-CZ3 3.32Å; L264-W268 HydrophobicContact CB-CE3 4.43Å; L264-W268 HydrophobicContact CD2-CE3 3.96Å; L264-W268 HydrophobicContact CD2-CZ3 4.19Å; E265-W268 HydrophobicContact CB-CD2 4.05Å; E265-W268 HydrophobicContact CB-CG 4.39Å; E265-W268 HydrophobicContact CB-CH2 4.47Å; E265-W268 HydrophobicContact CB-CZ2 3.87Å; E265-W268 HydrophobicContact CG-CH2 4.18Å; E265-W268 HydrophobicContact CG-CZ2 3.77Å; E265-W268 WeakPolarHBondContact O-CB 3.45Å; E265-W268 PolarHBondContact O-N 3.18Å; P266-W268 VanDerWaalsContact C-N 3.3Å; P266-W268 PolarHBondContact O-N 2.98Å; W268-V277 HydrophobicContact CB-CG1 3.87Å; W268-V277 HydrophobicContact CD2-CG1 3.93Å; W268-V277 HydrophobicContact CE3-CG1 3.5Å; W268-V277 HydrophobicContact CG-CG1 4.13Å; W268-V277 HydrophobicContact CZ3-CG1 4.32Å; W268-L278 WeakPolarHBondContact CA-O 3.15Å; W268-K279 HydrophobicContact CD2-CG 4.33Å; W268-K279 HydrophobicContact CG-CG 4.4Å; W268-K279 HydrophobicContact CZ2-CD 4.18Å
269	L	95.7	Very high	95.2	Very high	52 Å²	52	60.5 Å²	60.5	27%	0.272	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.2	176	-170.1	145.5	0	0	0	109.4	G190 L278	G190-L269 WeakPolarHBondContact O-CD1 3.13Å; L269-L278 HydrophobicContact CB-CB 4.34Å; L269-L278 HydrophobicContact CD2-CD1 4.1Å; L269-L278 PolarHBondContact N-O 3.1Å; L269-L278 PolarHBondContact O-N 3.05Å
270	V	96.4	Very high	95.1	Very high	27 Å²	27	60.9 Å²	60.9	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.8	-177.5	-178.2	0	0	0	0	108.8	F187 I193 L264 V277	F187-V270 HydrophobicContact CD1-CB 3.76Å; F187-V270 HydrophobicContact CD1-CG1 4.48Å; F187-V270 HydrophobicContact CD1-CG2 3.98Å; F187-V270 HydrophobicContact CD2-CG1 4.49Å; F187-V270 HydrophobicContact CE1-CB 4.04Å; F187-V270 HydrophobicContact CE1-CG2 3.72Å; F187-V270 HydrophobicContact CG-CB 4.09Å; F187-V270 HydrophobicContact CG-CG1 4.35Å; F187-V270 HydrophobicContact CZ-CG2 4.15Å; I193-V270 HydrophobicContact CD1-CG2 4.17Å; L264-V270 HydrophobicContact CD1-CG2 4.36Å; V270-V277 HydrophobicContact CG2-CG2 4.44Å
271	S	95.7	Very high	94.9	Very high	18 Å²	18	70.6 Å²	70.6	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.1	169.5	-177.1	0	0	0	0	109.1	P273 D274 K275 V276	S271-P273 WeakPolarHBondContact OG-CD 3.32Å; S271-D274 PolarHBondContact OG-OD2 3.19Å; S271-K275 WeakPolarHBondContact O-CA 3.25Å; S271-K275 PolarHBondContact O-N 3.17Å; S271-V276 PolarHBondContact N-O 3.03Å; S271-V276 PolarHBondContact O-N 3.23Å
272	I	94.1	Very high	94.7	Very high	65 Å²	65	72.4 Å²	72.4	33%	0.333	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-48.9	173.3	-63.9	167.5	0	0	0	112.5	Q184 F187 M188 D274 K275	Q184-I272 HydrophobicContact CG-CD1 4.44Å; F187-I272 HydrophobicContact CB-CD1 3.68Å; F187-I272 HydrophobicContact CB-CG1 4.1Å; M188-I272 HydrophobicContact CG-CD1 3.82Å; M188-I272 HydrophobicContact SD-CD1 3.67Å; I272-D274 VanDerWaalsContact C-N 3.33Å; I272-D274 PolarHBondContact O-N 3.46Å; I272-K275 PolarHBondContact O-N 3.1Å
273	P	94.6	Very high	94.6	Very high	109 Å²	109	75.6 Å²	75.6	71%	0.708	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-39.6	-175.6	23.7	-33.2	0	0	0	112.2	S271	S271-P273 WeakPolarHBondContact OG-CD 3.32Å
274	D	95.5	Very high	94.7	Very high	116 Å²	116	79.6 Å²	79.6	62%	0.62	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.2	-178.1	-50.5	-46.9	0	0	0	112.5	S271 I272 V276	S271-D274 PolarHBondContact OG-OD2 3.19Å; I272-D274 VanDerWaalsContact C-N 3.33Å; I272-D274 PolarHBondContact O-N 3.46Å; D274-V276 HydrophobicContact CB-CB 4.37Å; D274-V276 HydrophobicContact CB-CG2 3.99Å; D274-V276 WeakPolarHBondContact O-CG2 3.28Å; D274-V276 PolarHBondContact O-N 2.97Å
275	K	95.7	Very high	94.4	Very high	194 Å²	194	82 Å²	82	84%	0.843	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.9	-170.9	-56	179.1	180	178.2	0	112.6	S271 I272	S271-K275 WeakPolarHBondContact O-CA 3.25Å; S271-K275 PolarHBondContact O-N 3.17Å; I272-K275 PolarHBondContact O-N 3.1Å
276	V	96.5	Very high	94.2	Very high	70 Å²	70	80.6 Å²	80.6	42%	0.424	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145	-179.2	-176.2	0	0	0	0	110.4	S271 D274 L278	S271-V276 PolarHBondContact N-O 3.03Å; S271-V276 PolarHBondContact O-N 3.23Å; D274-V276 HydrophobicContact CB-CB 4.37Å; D274-V276 HydrophobicContact CB-CG2 3.99Å; D274-V276 WeakPolarHBondContact O-CG2 3.28Å; D274-V276 PolarHBondContact O-N 2.97Å; V276-L278 HydrophobicContact CG1-CD2 3.98Å
277	V	96.2	Very high	94	Very high	59 Å²	59	83.5 Å²	83.5	36%	0.358	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.1	169.5	-177.1	0	0	0	0	108.8	L264 W268 V270	L264-V277 HydrophobicContact CD2-CG2 4.32Å; W268-V277 HydrophobicContact CB-CG1 3.87Å; W268-V277 HydrophobicContact CD2-CG1 3.93Å; W268-V277 HydrophobicContact CE3-CG1 3.5Å; W268-V277 HydrophobicContact CG-CG1 4.13Å; W268-V277 HydrophobicContact CZ3-CG1 4.32Å; V270-V277 HydrophobicContact CG2-CG2 4.44Å
278	L	95.3	Very high	93.9	Very high	97 Å²	97	89.9 Å²	89.9	51%	0.508	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	176.9	-56	179.6	0	0	0	109.4	W268 L269 V276	W268-L278 WeakPolarHBondContact CA-O 3.15Å; L269-L278 HydrophobicContact CB-CB 4.34Å; L269-L278 HydrophobicContact CD2-CD1 4.1Å; L269-L278 PolarHBondContact N-O 3.1Å; L269-L278 PolarHBondContact O-N 3.05Å; V276-L278 HydrophobicContact CG1-CD2 3.98Å
279	K	95	Very high	93.6	Very high	139 Å²	139	89.8 Å²	89.8	60%	0.604	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-100.5	147.1	178.4	-61.3	-174.7	-179.4	-174.9	0	110.2	W268 K281	W268-K279 HydrophobicContact CD2-CG 4.33Å; W268-K279 HydrophobicContact CG-CG 4.4Å; W268-K279 HydrophobicContact CZ2-CD 4.18Å; K279-K281 PolarHBondContact O-N 2.99Å
280	P	93.4	Very high	93.1	Very high	30 Å²	30	92.5 Å²	92.5	20%	0.195	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-60.1	133.6	174.6	24.8	-32.4	0	0	0	110.1	L285 D286	P280-L285 HydrophobicContact CB-CB 3.96Å; P280-D286 HydrophobicContact CG-CB 4.23Å
281	K	91.5	Very high	92.5	Very high	206 Å²	206	96.3 Å²	96.3	90%	0.896	50%	0.495	S	S	*	.			trans	-83.4	-29.1	179.6	-173.7	176.1	178.4	-179	0	112.8	K279	K279-K281 PolarHBondContact O-N 2.99Å
282	S	92.2	Very high	92.4	Very high	52 Å²	52	100.2 Å²	100.2	36%	0.364	51%	0.514	S	S	.	.	S	Bend	trans	-88.8	131.5	-178.1	61.8	0	0	0	0	111.2	L284 L285 D286	S282-L284 PolarHBondContact O-N 3.3Å; S282-L285 PolarHBondContact O-N 3.28Å; S282-L285 WeakPolarHBondContact OG-CB 3.44Å; S282-L285 WeakPolarHBondContact OG-CD1 3.47Å; S282-L285 WeakPolarHBondContact OG-CG 3.4Å; S282-L285 PolarHBondContact OG-N 3.19Å; S282-D286 PolarHBondContact O-N 2.83Å; S282-D286 VanDerWaalsContact O-N 3.08Å
283	D	91.8	Very high	92.3	Very high	133 Å²	133	102.1 Å²	102.1	71%	0.711	52%	0.523	S	S	*	.	H	α-helix	trans	-58.7	-31.9	177.1	-58.4	-17.3	0	0	0	111.8	D286 T287	D283-D286 PolarHBondContact O-N 3.48Å; D283-T287 WeakPolarHBondContact O-CB 3.37Å; D283-T287 VanDerWaalsContact O-CG2 3.31Å; D283-T287 WeakPolarHBondContact O-CG2 3.4Å; D283-T287 PolarHBondContact O-N 3.25Å; D283-T287 PolarHBondContact O-OG1 2.72Å
284	L	92.8	Very high	92.1	Very high	146 Å²	146	101.7 Å²	101.7	76%	0.764	51%	0.513	S	S	*	.	H	α-helix	trans	-64	-38.5	175.2	-68.9	175.6	0	0	0	113	S282 T287 Y288	S282-L284 PolarHBondContact O-N 3.3Å; L284-T287 WeakPolarHBondContact CA-OG1 3.29Å; L284-T287 PolarHBondContact O-OG1 2.95Å; L284-Y288 VanDerWaalsContact O-CB 3.32Å; L284-Y288 WeakPolarHBondContact O-CB 3.36Å; L284-Y288 PolarHBondContact O-N 3.1Å; L284-Y288 VanDerWaalsContact O-N 3.07Å
285	L	89.8	Confident	91.9	Very high	87 Å²	87	100.8 Å²	100.8	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-73.9	-42.5	176.3	-74.2	173	0	0	0	110.4	P280 S282 T287 Y288 H289	P280-L285 HydrophobicContact CB-CB 3.96Å; S282-L285 PolarHBondContact O-N 3.28Å; S282-L285 WeakPolarHBondContact OG-CB 3.44Å; S282-L285 WeakPolarHBondContact OG-CD1 3.47Å; S282-L285 WeakPolarHBondContact OG-CG 3.4Å; S282-L285 PolarHBondContact OG-N 3.19Å; L285-T287 VanDerWaalsContact C-N 3.34Å; L285-T287 PolarHBondContact O-N 3.31Å; L285-Y288 PolarHBondContact O-N 2.89Å; L285-H289 PolarHBondContact O-CD2 3.41Å; L285-H289 PolarHBondContact O-N 2.99Å
286	D	90.2	Very high	91.7	Very high	41 Å²	41	95 Å²	95	22%	0.219	49%	0.485	C	S	.	.	H	α-helix	trans	-60.7	-44.3	178.2	-167.4	44.9	0	0	0	111.5	P280 S282 D283 H289 K290	P280-D286 HydrophobicContact CG-CB 4.23Å; S282-D286 PolarHBondContact O-N 2.83Å; S282-D286 VanDerWaalsContact O-N 3.08Å; D283-D286 PolarHBondContact O-N 3.48Å; D286-H289 PolarHBondContact O-N 2.73Å; D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.22Å; D286-K290 PolarHBondContact O-N 3.47Å; D286-K290 VanDerWaalsContact OD1-CE 3.28Å; D286-K290 WeakPolarHBondContact OD1-CE 3.25Å; D286-K290 IonicContact OD1-NZ 2.76Å; D286-K290 PolarHBondContact OD1-NZ 3.47Å; D286-K290 WeakPolarHBondContact OD2-CE 3.39Å; D286-K290 IonicContact OD2-NZ 3.55Å; D286-K290 PolarHBondContact OD2-NZ 2.83Å
287	T	91.9	Very high	91.4	Very high	73 Å²	73	96.7 Å²	96.7	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-46	173.5	48	0	0	0	0	112	D283 L284 L285 H289 K290 T291	D283-T287 WeakPolarHBondContact O-CB 3.37Å; D283-T287 VanDerWaalsContact O-CG2 3.31Å; D283-T287 WeakPolarHBondContact O-CG2 3.4Å; D283-T287 PolarHBondContact O-N 3.25Å; D283-T287 PolarHBondContact O-OG1 2.72Å; L284-T287 WeakPolarHBondContact CA-OG1 3.29Å; L284-T287 PolarHBondContact O-OG1 2.95Å; L285-T287 VanDerWaalsContact C-N 3.34Å; L285-T287 PolarHBondContact O-N 3.31Å; T287-H289 VanDerWaalsContact C-N 3.25Å; T287-H289 PolarHBondContact O-N 2.91Å; T287-K290 PolarHBondContact O-N 3.43Å; T287-K290 VanDerWaalsContact O-N 3.15Å; T287-T291 WeakPolarHBondContact O-CG2 3.41Å; T287-T291 PolarHBondContact O-N 3.14Å; T287-T291 PolarHBondContact O-OG1 3.07Å
288	Y	93	Very high	91	Very high	142 Å²	142	99.4 Å²	99.4	56%	0.557	50%	0.499	S	S	*	.	H	α-helix	trans	-57.4	-36.6	177.3	175.4	-96.4	0	0	0	113.3	K195 L284 L285	K195-Y288 PolarHBondContact NZ-O 3.07Å; L284-Y288 VanDerWaalsContact O-CB 3.32Å; L284-Y288 WeakPolarHBondContact O-CB 3.36Å; L284-Y288 PolarHBondContact O-N 3.1Å; L284-Y288 VanDerWaalsContact O-N 3.07Å; L285-Y288 PolarHBondContact O-N 2.89Å
289	H	89	Confident	90.7	Very high	29 Å²	29	99.5 Å²	99.5	13%	0.134	50%	0.498	C	S	.	.	H	α-helix	trans	-79	-29.2	179.2	-73.9	-65.7	0	0	0	113.2	P266 G267 L285 D286 T287	P266-H289 HydrophobicContact CB-CB 4.25Å; P266-H289 HydrophobicContact CG-CB 4.37Å; P266-H289 VanDerWaalsContact CG-O 3.23Å; P266-H289 WeakPolarHBondContact CG-O 3.41Å; P266-H289 WeakPolarHBondContact O-CB 3.33Å; G267-H289 VanDerWaalsContact CA-CD2 3.47Å; G267-H289 WeakPolarHBondContact CA-CD2 3.46Å; G267-H289 VanDerWaalsContact CA-CG 3.47Å; L285-H289 PolarHBondContact O-CD2 3.41Å; L285-H289 PolarHBondContact O-N 2.99Å; D286-H289 PolarHBondContact O-N 2.73Å; T287-H289 VanDerWaalsContact C-N 3.25Å; T287-H289 PolarHBondContact O-N 2.91Å
290	K	85.3	Confident	90.4	Very high	110 Å²	110	96.3 Å²	96.3	48%	0.478	49%	0.489	S	S	.	.	H	α-helix	trans	-81.6	-31.5	178.4	-73.1	173.5	178.2	168	0	114.1	D286 T287	D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.22Å; D286-K290 PolarHBondContact O-N 3.47Å; D286-K290 VanDerWaalsContact OD1-CE 3.28Å; D286-K290 WeakPolarHBondContact OD1-CE 3.25Å; D286-K290 IonicContact OD1-NZ 2.76Å; D286-K290 PolarHBondContact OD1-NZ 3.47Å; D286-K290 WeakPolarHBondContact OD2-CE 3.39Å; D286-K290 IonicContact OD2-NZ 3.55Å; D286-K290 PolarHBondContact OD2-NZ 2.83Å; T287-K290 PolarHBondContact O-N 3.43Å; T287-K290 VanDerWaalsContact O-N 3.15Å
291	T	83.3	Confident	90.1	Very high	106 Å²	106	102.3 Å²	102.3	65%	0.65	52%	0.516	S	S	*	.			trans	-84	0	176.9	58.3	0	0	0	0	112.9	K195 R258 T287	K195-T291 PolarHBondContact NZ-OXT 3.38Å; R258-T291 PolarHBondContact NE-O 3.17Å; R258-T291 PolarHBondContact NH2-O 3.23Å; R258-T291 VanDerWaalsContact NH2-O 3.17Å; T287-T291 WeakPolarHBondContact O-CG2 3.41Å; T287-T291 PolarHBondContact O-N 3.14Å; T287-T291 PolarHBondContact O-OG1 3.07Å

Retrieved 291 of 291 residues in 670.5 ms (Link to these results)

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