A0A3Q0KP97_SCHMA Loading...

Putative ankyrin repeat-containing

AlphaFold DB , UniProt , Accession A0A3Q0KP97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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	29.8	Very low	31.6	Very low	231 Å²	231	155.3 Å²	155.3	100%	1.138	81%	0.811	S	S	*	*				0	110.2	0	-76.5	172.6	174.9	0	0	106.4	N3	M1-N3 PolarHBondContact O-N 3.42Å
2	N	27.6	Very low	32.3	Very low	157 Å²	157	156 Å²	156	84%	0.84	81%	0.808	S	S	*	*			trans	-68.7	111.6	172	-75.8	-1.5	0	0	0	107.1	T4	N2-T4 VanDerWaalsContact C-N 3.31Å; N2-T4 PolarHBondContact O-N 3.2Å
3	N	30.5	Very low	33.2	Very low	129 Å²	129	149.6 Å²	149.6	69%	0.69	80%	0.803	S	S	*	*			trans	-74.4	91.9	169.2	-86.2	-7.7	0	0	0	107.7	M1 Y5	M1-N3 PolarHBondContact O-N 3.42Å; N3-Y5 WeakPolarHBondContact O-CD2 3.42Å; N3-Y5 PolarHBondContact O-N 3.36Å
4	T	27.6	Very low	34.5	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	80%	0.799	S	S	*	*			trans	-66.6	113	164.6	46.8	0	0	0	0	107.9	N2 S6	N2-T4 VanDerWaalsContact C-N 3.31Å; N2-T4 PolarHBondContact O-N 3.2Å; T4-S6 PolarHBondContact O-N 3.01Å
5	Y	37	Very low	35.6	Very low	140 Å²	140	143.1 Å²	143.1	55%	0.549	76%	0.759	S	S	.	*			trans	-71.8	108.8	-178.1	-74.3	-85	0	0	0	110.3	N3 K7 W103	N3-Y5 WeakPolarHBondContact O-CD2 3.42Å; N3-Y5 PolarHBondContact O-N 3.36Å; Y5-K7 PolarHBondContact O-N 3.29Å; Y5-W103 AromaticContact CE1-NE1 3.93Å
6	S	31	Very low	37.1	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	73%	0.731	S	S	*	*			trans	-58.6	125.2	167.8	-128.1	0	0	0	0	109.6	T4 D8	T4-S6 PolarHBondContact O-N 3.01Å; S6-D8 PolarHBondContact O-N 3.24Å
7	K	33.5	Very low	38.5	Very low	188 Å²	188	133.4 Å²	133.4	82%	0.817	72%	0.717	S	S	*	*			trans	-64.8	118.9	150.5	-73.9	179.4	176.8	178.4	0	105.3	Y5	Y5-K7 PolarHBondContact O-N 3.29Å
8	D	30.3	Very low	40.2	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	68%	0.682	S	S	*	*			trans	168.1	111	150.4	-78.1	-23.3	0	0	0	107.5	S6	S6-D8 PolarHBondContact O-N 3.24Å
9	D	33.5	Very low	41.9	Very low	171 Å²	171	125.1 Å²	125.1	91%	0.914	67%	0.673	S	S	*	*				-176.3	120.4	128.6	-100.7	-20.8	0	0	0	111.1
10	E	31.4	Very low	43.3	Very low	173 Å²	173	122.8 Å²	122.8	81%	0.808	66%	0.66	S	S	*	*			trans	-78.8	154.6	176.5	-63.4	-177.5	137.2	0	0	111.5
11	T	36	Very low	44.3	Very low	133 Å²	133	120.5 Å²	120.5	82%	0.816	65%	0.65	S	S	*	*			trans	66.3	69.5	155.3	62.2	0	0	0	0	119.2
12	Q	39.2	Very low	46	Very low	164 Å²	164	111.4 Å²	111.4	77%	0.766	61%	0.609	S	S	*	*	S	Bend	trans	-143.8	144.9	138.1	-75.6	-143.7	8	0	0	109.6	K14	Q12-K14 PolarHBondContact O-N 3.27Å; Q12-K14 VanDerWaalsContact O-N 3.09Å
13	G	44.9	Very low	47.4	Very low	73 Å²	73	105.5 Å²	105.5	75%	0.753	58%	0.579	S	S	*	*			trans	-34.4	111.8	-166.5	0	0	0	0	0	113.4
14	K	50.1	Low	48.7	Very low	171 Å²	171	102 Å²	102	74%	0.743	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-54.4	131.7	-171.9	-72	-174.5	177.7	-176.6	0	110	Q12	Q12-K14 PolarHBondContact O-N 3.27Å; Q12-K14 VanDerWaalsContact O-N 3.09Å
15	P	52.1	Low	50.2	Low	31 Å²	31	101.3 Å²	101.3	20%	0.201	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-48.5	146.8	165.3	-26.8	36.5	0	0	0	110.4	Y35	P15-Y35 HydrophobicContact CB-CD2 3.65Å; P15-Y35 HydrophobicContact CB-CE2 3.55Å; P15-Y35 HydrophobicContact CG-CD2 4.25Å; P15-Y35 HydrophobicContact CG-CE2 3.64Å
16	S	58.8	Low	51.6	Low	44 Å²	44	95.3 Å²	95.3	31%	0.308	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-79.1	143.6	167.1	-59.6	0	0	0	0	107.9	K38	S16-K38 PolarHBondContact OG-NZ 2.74Å
17	P	61.9	Low	53.4	Low	76 Å²	76	92.5 Å²	92.5	49%	0.494	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-57.8	144.4	167.4	22.8	-30.3	0	0	0	110	V107	P17-V107 HydrophobicContact CB-CG2 4.09Å
18	P	68.6	Low	55.6	Low	14 Å²	14	83.5 Å²	83.5	9%	0.091	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-56.5	160.8	170.5	25.6	-38.8	0	0	0	112.6	D31 W32 V107	P18-D31 WeakPolarHBondContact CA-O 3.39Å; P18-D31 WeakPolarHBondContact CB-O 3.36Å; P18-W32 HydrophobicContact CB-CB 4.46Å; P18-W32 HydrophobicContact CB-CD2 4Å; P18-W32 HydrophobicContact CB-CG 3.68Å; P18-W32 HydrophobicContact CG-CD2 4.33Å; P18-W32 HydrophobicContact CG-CG 4.24Å; P18-W32 HydrophobicContact CG-CZ2 4.3Å; P18-V107 HydrophobicContact CG-CB 4.18Å; P18-V107 HydrophobicContact CG-CG1 4.49Å; P18-V107 HydrophobicContact CG-CG2 3.21Å
19	N	72.5	Confident	57.8	Low	96 Å²	96	80.5 Å²	80.5	51%	0.513	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.2	165.8	-68.6	-44.2	0	0	0	109.1	T21 D31	N19-T21 PolarHBondContact O-N 3.49Å; N19-D31 PolarHBondContact N-O 3.16Å; N19-D31 PolarHBondContact O-N 2.85Å
20	I	70.4	Confident	60.2	Low	79 Å²	79	72.4 Å²	72.4	41%	0.405	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.1	166.8	-59	170.1	0	0	0	106.1	V23 L30 V107 V109	I20-V23 HydrophobicContact CG2-CG2 3.5Å; I20-L30 HydrophobicContact CG1-CD2 4.39Å; I20-V107 HydrophobicContact CD1-CG1 4.23Å; I20-V107 HydrophobicContact CG1-CG1 4.28Å; I20-V109 HydrophobicContact CD1-CG2 3.85Å; I20-V109 HydrophobicContact CG1-CG2 4.19Å
21	T	63.1	Low	62.7	Low	75 Å²	75	65.2 Å²	65.2	46%	0.46	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-37.4	-178.4	48.4	0	0	0	0	111.7	N19 E29 D31	N19-T21 PolarHBondContact O-N 3.49Å; T21-E29 PolarHBondContact N-O 2.75Å; T21-E29 WeakPolarHBondContact OG1-CB 3.31Å; T21-E29 PolarHBondContact OG1-O 3.15Å; T21-D31 HydrophobicContact CG2-CB 3.73Å
22	S	65.3	Low	65.2	Low	39 Å²	39	58.9 Å²	58.9	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	147.1	171.6	67.2	0	0	0	0	111.1	E29	S22-E29 PolarHBondContact O-N 3.29Å; S22-E29 WeakPolarHBondContact OG-CB 3.44Å; S22-E29 VanDerWaalsContact OG-CG 3.3Å; S22-E29 WeakPolarHBondContact OG-CG 3.49Å; S22-E29 PolarHBondContact OG-OE2 3.21Å
23	V	57.4	Low	67.4	Low	33 Å²	33	56.1 Å²	56.1	20%	0.2	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.7	166.5	-176.7	0	0	0	0	106	I20 V28 V109 Q110 D112	I20-V23 HydrophobicContact CG2-CG2 3.5Å; V23-V28 HydrophobicContact CG1-CG2 4.32Å; V23-V109 HydrophobicContact CG1-CG1 4.19Å; V23-V109 HydrophobicContact CG2-CG1 3.52Å; V23-Q110 WeakPolarHBondContact CG1-O 3.47Å; V23-D112 VanDerWaalsContact C-OD2 3.32Å
24	T	59.2	Low	69.2	Low	56 Å²	56	56.3 Å²	56.3	34%	0.344	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	172.7	173.7	59.1	0	0	0	0	109.2	G26 N27	T24-G26 PolarHBondContact O-N 3.09Å; T24-G26 VanDerWaalsContact O-N 3.13Å; T24-N27 PolarHBondContact N-O 3.24Å; T24-N27 PolarHBondContact O-N 2.82Å; T24-N27 VanDerWaalsContact O-O 3.08Å; T24-N27 WeakPolarHBondContact OG1-CB 3.41Å; T24-N27 PolarHBondContact OG1-O 2.9Å
25	Y	59	Low	70.7	Confident	116 Å²	116	49 Å²	49	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	118.8	170.4	79.5	-90.4	0	0	0	110.4	N27 L114 P115	Y25-N27 PolarHBondContact O-N 2.93Å; Y25-N27 VanDerWaalsContact O-N 3.09Å; Y25-L114 HydrophobicContact CD2-CD2 3.64Å; Y25-L114 HydrophobicContact CE2-CD2 4.43Å; Y25-L114 HydrophobicContact CG-CD2 4.12Å; Y25-P115 HydrophobicContact CD1-CG 3.86Å; Y25-P115 HydrophobicContact CE1-CG 4.38Å
26	G	66.4	Low	72.1	Confident	13 Å²	13	48.4 Å²	48.4	13%	0.134	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-9.3	176.9	0	0	0	0	0	116.6	T24 K80 N81 L82	T24-G26 PolarHBondContact O-N 3.09Å; T24-G26 VanDerWaalsContact O-N 3.13Å; G26-K80 CarbonylContact O-C 3.42Å; G26-K80 VanDerWaalsContact O-CA 3.24Å; G26-K80 WeakPolarHBondContact O-CA 3.13Å; G26-N81 PolarHBondContact O-N 3.07Å; G26-L82 WeakPolarHBondContact CA-O 3.49Å; G26-L82 PolarHBondContact O-N 2.93Å; G26-L82 VanDerWaalsContact O-N 3.15Å
27	N	68.6	Low	73.3	Confident	54 Å²	54	49.3 Å²	49.3	29%	0.289	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.5	175.2	-50	-63.5	0	0	0	112.7	T24 Y25 T78 C79 K80	T24-N27 PolarHBondContact N-O 3.24Å; T24-N27 PolarHBondContact O-N 2.82Å; T24-N27 VanDerWaalsContact O-O 3.08Å; T24-N27 WeakPolarHBondContact OG1-CB 3.41Å; T24-N27 PolarHBondContact OG1-O 2.9Å; Y25-N27 PolarHBondContact O-N 2.93Å; Y25-N27 VanDerWaalsContact O-N 3.09Å; N27-T78 HydrophobicContact CB-CG2 3.99Å; N27-C79 VanDerWaalsContact CA-O 3.24Å; N27-C79 WeakPolarHBondContact CA-O 3.45Å; N27-K80 VanDerWaalsContact OD1-CA 3.29Å; N27-K80 WeakPolarHBondContact OD1-CA 3.39Å; N27-K80 VanDerWaalsContact OD1-CB 3.27Å; N27-K80 WeakPolarHBondContact OD1-CB 3.24Å; N27-K80 WeakPolarHBondContact OD1-CG 3.42Å
28	V	78	Confident	74	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.3	169.4	176.1	0	0	0	0	108.6	V23 L30 T78 C79 L82 F90 V109 T111	V23-V28 HydrophobicContact CG1-CG2 4.32Å; V28-L30 HydrophobicContact CG1-CD1 4.36Å; V28-L30 HydrophobicContact CG1-CD2 3.85Å; V28-L30 HydrophobicContact CG1-CG 3.88Å; V28-T78 WeakPolarHBondContact O-CA 3.22Å; V28-C79 PolarHBondContact N-O 2.69Å; V28-C79 VanDerWaalsContact N-O 3.08Å; V28-C79 PolarHBondContact O-N 2.78Å; V28-L82 HydrophobicContact CB-CD1 4.05Å; V28-L82 HydrophobicContact CG2-CD1 3.6Å; V28-F90 HydrophobicContact CB-CZ 4.3Å; V28-F90 HydrophobicContact CG1-CE2 4.34Å; V28-F90 HydrophobicContact CG1-CZ 4.46Å; V28-F90 HydrophobicContact CG2-CZ 4.45Å; V28-V109 HydrophobicContact CG1-CB 4.34Å; V28-V109 HydrophobicContact CG1-CG1 3.87Å; V28-V109 HydrophobicContact CG1-CG2 4.18Å; V28-V109 HydrophobicContact CG2-CG1 3.83Å; V28-T111 HydrophobicContact CG2-CG2 4.35Å
29	E	77.5	Confident	74.4	Confident	80 Å²	80	50.2 Å²	50.2	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.2	171.3	-63.6	-175.5	157.5	0	0	110.7	T21 S22 C77 T78	T21-E29 PolarHBondContact N-O 2.75Å; T21-E29 WeakPolarHBondContact OG1-CB 3.31Å; T21-E29 PolarHBondContact OG1-O 3.15Å; S22-E29 PolarHBondContact O-N 3.29Å; S22-E29 WeakPolarHBondContact OG-CB 3.44Å; S22-E29 VanDerWaalsContact OG-CG 3.3Å; S22-E29 WeakPolarHBondContact OG-CG 3.49Å; S22-E29 PolarHBondContact OG-OE2 3.21Å; E29-C77 WeakPolarHBondContact CA-O 3.5Å; E29-T78 HydrophobicContact CG-CG2 4.2Å
30	L	83.5	Confident	74.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.3	-177.9	-62.3	167.4	0	0	0	109.4	I20 V28 W32 R76 C77 F90 V109	I20-L30 HydrophobicContact CG1-CD2 4.39Å; V28-L30 HydrophobicContact CG1-CD1 4.36Å; V28-L30 HydrophobicContact CG1-CD2 3.85Å; V28-L30 HydrophobicContact CG1-CG 3.88Å; L30-W32 HydrophobicContact CB-CE3 4.02Å; L30-W32 HydrophobicContact CB-CH2 3.47Å; L30-W32 VanDerWaalsContact CB-CH2 3.47Å; L30-W32 HydrophobicContact CB-CZ2 4.03Å; L30-W32 HydrophobicContact CB-CZ3 3.48Å; L30-W32 VanDerWaalsContact CB-CZ3 3.48Å; L30-W32 HydrophobicContact CD1-CH2 3.31Å; L30-W32 HydrophobicContact CD1-CZ2 3.76Å; L30-W32 HydrophobicContact CD1-CZ3 4.17Å; L30-W32 HydrophobicContact CG-CH2 3.98Å; L30-W32 HydrophobicContact CG-CZ2 4.4Å; L30-W32 HydrophobicContact CG-CZ3 4.45Å; L30-R76 VanDerWaalsContact O-CA 3.29Å; L30-R76 WeakPolarHBondContact O-CA 3.36Å; L30-C77 PolarHBondContact N-O 2.78Å; L30-C77 PolarHBondContact O-N 2.93Å; L30-C77 VanDerWaalsContact O-N 3.07Å; L30-F90 HydrophobicContact CD1-CB 3.7Å; L30-F90 HydrophobicContact CD1-CD1 3.49Å; L30-F90 VanDerWaalsContact CD1-CD1 3.49Å; L30-F90 HydrophobicContact CD1-CD2 3.96Å; L30-F90 HydrophobicContact CD1-CE1 4.09Å; L30-F90 HydrophobicContact CD1-CE2 4.47Å; L30-F90 HydrophobicContact CD1-CG 3.43Å; L30-F90 VanDerWaalsContact CD1-CG 3.43Å; L30-V109 HydrophobicContact CD2-CG2 4.21Å
31	D	84.9	Confident	74.8	Confident	21 Å²	21	51.5 Å²	51.5	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.3	174.8	-167.3	-26.3	0	0	0	110.6	P18 N19 T21 K33 H75 R76	P18-D31 WeakPolarHBondContact CA-O 3.39Å; P18-D31 WeakPolarHBondContact CB-O 3.36Å; N19-D31 PolarHBondContact N-O 3.16Å; N19-D31 PolarHBondContact O-N 2.85Å; T21-D31 HydrophobicContact CG2-CB 3.73Å; D31-K33 VanDerWaalsContact OD1-CB 3.22Å; D31-K33 WeakPolarHBondContact OD1-CB 3.34Å; D31-K33 PolarHBondContact OD1-N 2.93Å; D31-H75 IonicContact OD1-CD2 3.94Å; D31-R76 HydrophobicContact CB-CG 4.05Å; D31-R76 IonicContact OD2-NE 3.08Å; D31-R76 PolarHBondContact OD2-NE 3.35Å; D31-R76 VanDerWaalsContact OD2-NE 3.08Å
32	W	86.9	Confident	75.2	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	27%	0.266	C	S	.	.			trans	-104	28.4	178.3	-73	-87.6	0	0	0	113.3	P18 L30 D34 Y35 L36 V56 H75 C77 F90 M92	P18-W32 HydrophobicContact CB-CB 4.46Å; P18-W32 HydrophobicContact CB-CD2 4Å; P18-W32 HydrophobicContact CB-CG 3.68Å; P18-W32 HydrophobicContact CG-CD2 4.33Å; P18-W32 HydrophobicContact CG-CG 4.24Å; P18-W32 HydrophobicContact CG-CZ2 4.3Å; L30-W32 HydrophobicContact CB-CE3 4.02Å; L30-W32 HydrophobicContact CB-CH2 3.47Å; L30-W32 VanDerWaalsContact CB-CH2 3.47Å; L30-W32 HydrophobicContact CB-CZ2 4.03Å; L30-W32 HydrophobicContact CB-CZ3 3.48Å; L30-W32 VanDerWaalsContact CB-CZ3 3.48Å; L30-W32 HydrophobicContact CD1-CH2 3.31Å; L30-W32 HydrophobicContact CD1-CZ2 3.76Å; L30-W32 HydrophobicContact CD1-CZ3 4.17Å; L30-W32 HydrophobicContact CG-CH2 3.98Å; L30-W32 HydrophobicContact CG-CZ2 4.4Å; L30-W32 HydrophobicContact CG-CZ3 4.45Å; W32-D34 VanDerWaalsContact C-N 3.33Å; W32-D34 PolarHBondContact O-N 3.4Å; W32-Y35 WeakPolarHBondContact O-CB 3.38Å; W32-Y35 PolarHBondContact O-N 3.21Å; W32-L36 PolarHBondContact O-N 3.14Å; W32-V56 HydrophobicContact CE3-CG2 4.27Å; W32-V56 HydrophobicContact CH2-CB 4.16Å; W32-V56 HydrophobicContact CH2-CG1 3.52Å; W32-V56 HydrophobicContact CH2-CG2 3.49Å; W32-V56 VanDerWaalsContact CH2-CG2 3.49Å; W32-V56 HydrophobicContact CZ2-CG1 4.28Å; W32-V56 HydrophobicContact CZ2-CG2 4.42Å; W32-V56 HydrophobicContact CZ3-CB 4.47Å; W32-V56 HydrophobicContact CZ3-CG1 4.24Å; W32-V56 HydrophobicContact CZ3-CG2 3.38Å; W32-H75 PolarHBondContact N-O 3.33Å; W32-C77 HydrophobicContact CZ3-CB 4.36Å; W32-C77 WeakPolarHBondContact CZ3-SG 3.45Å; W32-F90 HydrophobicContact CZ2-CB 4.38Å; W32-M92 HydrophobicContact CB-CE 3.12Å; W32-M92 HydrophobicContact CB-SD 4.03Å; W32-M92 HydrophobicContact CD2-CB 3.88Å; W32-M92 HydrophobicContact CD2-CE 3.61Å; W32-M92 HydrophobicContact CD2-CG 4.31Å; W32-M92 HydrophobicContact CD2-SD 3.52Å; W32-M92 VanDerWaalsContact CD2-SD 3.52Å; W32-M92 HydrophobicContact CE3-CB 4.31Å; W32-M92 HydrophobicContact CE3-CE 3.96Å; W32-M92 HydrophobicContact CE3-CG 4.35Å; W32-M92 HydrophobicContact CE3-SD 3.3Å; W32-M92 HydrophobicContact CG-CB 4.31Å; W32-M92 HydrophobicContact CG-CE 3.25Å; W32-M92 HydrophobicContact CG-SD 3.87Å; W32-M92 HydrophobicContact CH2-CB 4.26Å; W32-M92 HydrophobicContact CZ2-CB 3.84Å; W32-M92 HydrophobicContact CZ3-CB 4.46Å; W32-M92 HydrophobicContact CZ3-SD 3.85Å
33	K	85.8	Confident	75.4	Confident	105 Å²	105	54.4 Å²	54.4	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-50.6	-49	178.8	-176	172.1	180	-173	0	113.8	D31 Y35 L36 D37 H75	D31-K33 VanDerWaalsContact OD1-CB 3.22Å; D31-K33 WeakPolarHBondContact OD1-CB 3.34Å; D31-K33 PolarHBondContact OD1-N 2.93Å; K33-Y35 PolarHBondContact O-N 3.26Å; K33-L36 WeakPolarHBondContact O-CB 3.37Å; K33-L36 PolarHBondContact O-N 2.83Å; K33-L36 VanDerWaalsContact O-N 3.09Å; K33-D37 PolarHBondContact O-N 3.26Å; K33-H75 VanDerWaalsContact CB-CD2 3.45Å; K33-H75 WeakPolarHBondContact CB-CD2 3.31Å
34	D	82.9	Confident	75.9	Confident	77 Å²	77	57 Å²	57	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-31.2	-179.9	-64.3	-13.2	0	0	0	112.4	W32 K38	W32-D34 VanDerWaalsContact C-N 3.33Å; W32-D34 PolarHBondContact O-N 3.4Å; D34-K38 WeakPolarHBondContact O-CG 3.3Å; D34-K38 PolarHBondContact O-N 2.88Å
35	Y	81.9	Confident	76	Confident	17 Å²	17	58.5 Å²	58.5	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-74.5	-40.5	176	-176.8	-130.2	0	0	0	111.6	P15 W32 K33 I39 M92 F94 N102	P15-Y35 HydrophobicContact CB-CD2 3.65Å; P15-Y35 HydrophobicContact CB-CE2 3.55Å; P15-Y35 HydrophobicContact CG-CD2 4.25Å; P15-Y35 HydrophobicContact CG-CE2 3.64Å; W32-Y35 WeakPolarHBondContact O-CB 3.38Å; W32-Y35 PolarHBondContact O-N 3.21Å; K33-Y35 PolarHBondContact O-N 3.26Å; Y35-I39 HydrophobicContact CD1-CD1 4.18Å; Y35-I39 HydrophobicContact CD2-CD1 4.14Å; Y35-I39 HydrophobicContact CE1-CD1 3.76Å; Y35-I39 HydrophobicContact CE2-CD1 3.71Å; Y35-I39 HydrophobicContact CE2-CG1 4.34Å; Y35-I39 HydrophobicContact CG-CD1 4.36Å; Y35-I39 WeakPolarHBondContact O-CG1 3.37Å; Y35-I39 PolarHBondContact O-N 2.92Å; Y35-M92 HydrophobicContact CD1-CE 3.7Å; Y35-M92 HydrophobicContact CE1-CE 4.29Å; Y35-F94 AromaticContact CD1-CD2 3.95Å; Y35-F94 HydrophobicContact CD1-CD2 3.95Å; Y35-F94 AromaticContact CD1-CE2 3.5Å; Y35-F94 HydrophobicContact CD1-CE2 3.5Å; Y35-F94 VanDerWaalsContact CD1-CE2 3.5Å; Y35-F94 AromaticContact CE1-CD2 3.8Å; Y35-F94 HydrophobicContact CE1-CD2 3.8Å; Y35-F94 AromaticContact CE1-CE2 3.86Å; Y35-F94 HydrophobicContact CE1-CE2 3.86Å; Y35-F94 HydrophobicContact CG-CE2 4.3Å; Y35-N102 PolarHBondContact OH-O 2.88Å
36	L	82.5	Confident	76.3	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-46.4	173.3	179.3	57.4	0	0	0	111.3	W32 K33 K38 I39 Q40 P52 H75 F94	W32-L36 PolarHBondContact O-N 3.14Å; K33-L36 WeakPolarHBondContact O-CB 3.37Å; K33-L36 PolarHBondContact O-N 2.83Å; K33-L36 VanDerWaalsContact O-N 3.09Å; L36-K38 PolarHBondContact O-N 3.04Å; L36-I39 PolarHBondContact O-N 2.97Å; L36-Q40 HydrophobicContact CD1-CG 3.93Å; L36-Q40 HydrophobicContact CG-CG 4.19Å; L36-Q40 WeakPolarHBondContact O-CG 3.2Å; L36-Q40 PolarHBondContact O-N 3.45Å; L36-P52 HydrophobicContact CD1-CG 3.48Å; L36-P52 VanDerWaalsContact CD1-CG 3.48Å; L36-H75 HydrophobicContact CD2-CB 4.01Å; L36-F94 HydrophobicContact CB-CE1 4.44Å; L36-F94 HydrophobicContact CB-CE2 4.1Å; L36-F94 HydrophobicContact CB-CZ 3.66Å; L36-F94 HydrophobicContact CD1-CD1 4.14Å; L36-F94 HydrophobicContact CD1-CE1 3.68Å; L36-F94 HydrophobicContact CD1-CE2 4.21Å; L36-F94 HydrophobicContact CD1-CZ 3.69Å; L36-F94 HydrophobicContact CG-CE1 4.47Å; L36-F94 HydrophobicContact CG-CZ 4.15Å
37	D	82.9	Confident	75.8	Confident	64 Å²	64	64.9 Å²	64.9	34%	0.342	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-45.3	-177.8	-71.8	-15	0	0	0	111.1	K33 I39 Q40 E41	K33-D37 PolarHBondContact O-N 3.26Å; D37-I39 VanDerWaalsContact C-N 3.28Å; D37-I39 PolarHBondContact O-N 3.06Å; D37-Q40 PolarHBondContact O-N 2.79Å; D37-E41 WeakPolarHBondContact O-CG 3.31Å; D37-E41 PolarHBondContact O-N 3.08Å
38	K	77.7	Confident	75.4	Confident	80 Å²	80	67.4 Å²	67.4	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-59.6	-35.3	174.4	-74.2	175.9	176.4	-177.6	0	113.3	S16 D34 L36	S16-K38 PolarHBondContact OG-NZ 2.74Å; D34-K38 WeakPolarHBondContact O-CG 3.3Å; D34-K38 PolarHBondContact O-N 2.88Å; L36-K38 PolarHBondContact O-N 3.04Å
39	I	75.2	Confident	74.7	Confident	28 Å²	28	76.8 Å²	76.8	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-76.1	-40.9	178.2	-72.5	170.1	0	0	0	110.6	Y35 L36 D37 K42 M43 F94	Y35-I39 HydrophobicContact CD1-CD1 4.18Å; Y35-I39 HydrophobicContact CD2-CD1 4.14Å; Y35-I39 HydrophobicContact CE1-CD1 3.76Å; Y35-I39 HydrophobicContact CE2-CD1 3.71Å; Y35-I39 HydrophobicContact CE2-CG1 4.34Å; Y35-I39 HydrophobicContact CG-CD1 4.36Å; Y35-I39 WeakPolarHBondContact O-CG1 3.37Å; Y35-I39 PolarHBondContact O-N 2.92Å; L36-I39 PolarHBondContact O-N 2.97Å; D37-I39 VanDerWaalsContact C-N 3.28Å; D37-I39 PolarHBondContact O-N 3.06Å; I39-K42 WeakPolarHBondContact O-CB 3.27Å; I39-K42 PolarHBondContact O-N 3.48Å; I39-M43 HydrophobicContact CG2-CE 3.49Å; I39-M43 VanDerWaalsContact CG2-CE 3.49Å; I39-M43 HydrophobicContact CG2-CG 4.32Å; I39-M43 HydrophobicContact CG2-SD 4Å; I39-M43 WeakPolarHBondContact O-CG 3.26Å; I39-M43 PolarHBondContact O-N 2.62Å; I39-F94 HydrophobicContact CD1-CB 4.3Å; I39-F94 HydrophobicContact CD1-CD2 3.32Å; I39-F94 HydrophobicContact CD1-CE2 3.94Å; I39-F94 HydrophobicContact CD1-CG 4.21Å
40	Q	75.8	Confident	74.2	Confident	56 Å²	56	77.3 Å²	77.3	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-38.1	176.1	-73.3	-175.7	-0.9	0	0	112.2	L36 D37 K42 M43 N44	L36-Q40 HydrophobicContact CD1-CG 3.93Å; L36-Q40 HydrophobicContact CG-CG 4.19Å; L36-Q40 WeakPolarHBondContact O-CG 3.2Å; L36-Q40 PolarHBondContact O-N 3.45Å; D37-Q40 PolarHBondContact O-N 2.79Å; Q40-K42 VanDerWaalsContact C-N 3.29Å; Q40-K42 PolarHBondContact O-N 2.98Å; Q40-M43 PolarHBondContact O-N 2.81Å; Q40-M43 VanDerWaalsContact O-N 3.16Å; Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.27Å; Q40-N44 VanDerWaalsContact O-CG 3.27Å; Q40-N44 PolarHBondContact O-N 2.92Å; Q40-N44 PolarHBondContact O-ND2 2.82Å
41	E	76.2	Confident	73.8	Confident	146 Å²	146	82.4 Å²	82.4	68%	0.682	42%	0.422	S	S	*	.	H	α-helix	trans	-55.1	-45.7	171.6	-77.4	-178.8	169.6	0	0	111.5	D37	D37-E41 WeakPolarHBondContact O-CG 3.31Å; D37-E41 PolarHBondContact O-N 3.08Å
42	K	71.4	Confident	73.6	Confident	134 Å²	134	81.8 Å²	81.8	58%	0.583	42%	0.418	S	S	*	.	H	α-helix	trans	-66.4	-37.4	175.7	-67.5	-179.1	-178.5	-175.8	0	112.7	I39 Q40	I39-K42 WeakPolarHBondContact O-CB 3.27Å; I39-K42 PolarHBondContact O-N 3.48Å; Q40-K42 VanDerWaalsContact C-N 3.29Å; Q40-K42 PolarHBondContact O-N 2.98Å
43	M	69.1	Low	73.5	Confident	41 Å²	41	83.7 Å²	83.7	20%	0.202	43%	0.428	C	S	.	.	H	α-helix	trans	-76.6	-36.5	-178.9	-71.7	-175.7	179.4	0	0	113.6	I39 Q40 A45 Q46 N96	I39-M43 HydrophobicContact CG2-CE 3.49Å; I39-M43 VanDerWaalsContact CG2-CE 3.49Å; I39-M43 HydrophobicContact CG2-CG 4.32Å; I39-M43 HydrophobicContact CG2-SD 4Å; I39-M43 WeakPolarHBondContact O-CG 3.26Å; I39-M43 PolarHBondContact O-N 2.62Å; Q40-M43 PolarHBondContact O-N 2.81Å; Q40-M43 VanDerWaalsContact O-N 3.16Å; M43-A45 PolarHBondContact O-N 2.96Å; M43-Q46 WeakPolarHBondContact O-CA 3.27Å; M43-Q46 WeakPolarHBondContact O-CB 3.5Å; M43-Q46 PolarHBondContact O-N 3.28Å; M43-N96 HydrophobicContact CE-CB 3.65Å
44	N	68.1	Low	73.6	Confident	88 Å²	88	78.7 Å²	78.7	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-29.2	178.1	-78.1	-31.4	0	0	0	111.5	Q40 Q46 S47	Q40-N44 VanDerWaalsContact O-CB 3.31Å; Q40-N44 WeakPolarHBondContact O-CB 3.27Å; Q40-N44 VanDerWaalsContact O-CG 3.27Å; Q40-N44 PolarHBondContact O-N 2.92Å; Q40-N44 PolarHBondContact O-ND2 2.82Å; N44-Q46 PolarHBondContact O-N 3.45Å; N44-Q46 VanDerWaalsContact O-N 3.15Å; N44-S47 PolarHBondContact O-N 3.23Å
45	A	62.6	Low	74	Confident	87 Å²	87	76.4 Å²	76.4	72%	0.719	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.4	169.5	0	0	0	0	0	113.6	M43	M43-A45 PolarHBondContact O-N 2.96Å
46	Q	63.9	Low	74.3	Confident	158 Å²	158	75.6 Å²	75.6	74%	0.738	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	13	-178.5	-61.2	-172.8	-12.4	0	0	114.1	M43 N44 N48	M43-Q46 WeakPolarHBondContact O-CA 3.27Å; M43-Q46 WeakPolarHBondContact O-CB 3.5Å; M43-Q46 PolarHBondContact O-N 3.28Å; N44-Q46 PolarHBondContact O-N 3.45Å; N44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-N48 PolarHBondContact O-N 2.98Å
47	S	56.3	Low	74.8	Confident	105 Å²	105	75.2 Å²	75.2	73%	0.734	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	34.5	166.4	-69.9	0	0	0	0	118.7	N44	N44-S47 PolarHBondContact O-N 3.23Å
48	N	59.6	Low	75.2	Confident	107 Å²	107	73.3 Å²	73.3	57%	0.572	38%	0.377	S	S	*	.			trans	-137.7	114.6	165.7	-87.1	-31.7	0	0	0	112.5	Q46 I50	Q46-N48 PolarHBondContact O-N 2.98Å; N48-I50 PolarHBondContact O-N 3.3Å; N48-I50 VanDerWaalsContact O-N 3.14Å
49	K	63.2	Low	75.8	Confident	197 Å²	197	71.6 Å²	71.6	86%	0.857	37%	0.37	S	S	*	.			trans	-82.3	77.4	176	-70.9	-175.8	178.4	-178	0	111
50	I	68.2	Low	76.4	Confident	91 Å²	91	73 Å²	73	47%	0.467	38%	0.375	S	S	.	.			trans	-112.1	133.1	171	-61	174.5	0	0	0	108	N48 P52 L97	N48-I50 PolarHBondContact O-N 3.3Å; N48-I50 VanDerWaalsContact O-N 3.14Å; I50-P52 WeakPolarHBondContact O-CD 3.43Å; I50-L97 HydrophobicContact CD1-CD1 3.63Å; I50-L97 HydrophobicContact CD1-CD2 3.81Å; I50-L97 HydrophobicContact CD1-CG 3.75Å
51	N	74.3	Confident	76.8	Confident	109 Å²	109	74.5 Å²	74.5	58%	0.583	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-67	118.2	171.6	-78	-1.7	0	0	0	108.9
52	P	80.8	Confident	76.9	Confident	7 Å²	7	73 Å²	73	5%	0.045	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.3	148.7	-178.8	28.7	-33.8	0	0	0	110.9	L36 I50 A54 F94 K95	L36-P52 HydrophobicContact CD1-CG 3.48Å; L36-P52 VanDerWaalsContact CD1-CG 3.48Å; I50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-A54 PolarHBondContact O-N 3.42Å; P52-F94 HydrophobicContact CB-CB 3.92Å; P52-F94 HydrophobicContact CB-CD1 3.93Å; P52-F94 HydrophobicContact CB-CG 4.29Å; P52-F94 HydrophobicContact CG-CB 4.32Å; P52-F94 HydrophobicContact CG-CD1 3.69Å; P52-F94 HydrophobicContact CG-CE1 4.3Å; P52-F94 HydrophobicContact CG-CG 4.21Å; P52-K95 VanDerWaalsContact CA-O 3.31Å; P52-K95 WeakPolarHBondContact CA-O 3.42Å; P52-K95 WeakPolarHBondContact CB-O 3.43Å
53	L	85.8	Confident	77.5	Confident	41 Å²	41	68.1 Å²	68.1	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.8	174.2	-178.1	77	0	0	0	108.9	I71 G72 Y73 F94 K95	L53-I71 HydrophobicContact CD1-CG2 4.11Å; L53-I71 HydrophobicContact CD2-CG2 4.09Å; L53-I71 HydrophobicContact CG-CG2 4.21Å; L53-G72 CarbonylContact C-O 3.51Å; L53-G72 WeakPolarHBondContact CD1-O 3.07Å; L53-Y73 HydrophobicContact CB-CE1 4.33Å; L53-Y73 HydrophobicContact CD1-CD1 4.33Å; L53-Y73 HydrophobicContact CD1-CE1 4.03Å; L53-Y73 HydrophobicContact CD1-CE2 4.27Å; L53-F94 CarbonylContact O-C 3.54Å; L53-F94 WeakPolarHBondContact O-CA 3.38Å; L53-K95 HydrophobicContact CB-CB 3.89Å; L53-K95 HydrophobicContact CD2-CB 4.45Å; L53-K95 HydrophobicContact CD2-CD 4.16Å; L53-K95 PolarHBondContact N-O 3.23Å; L53-K95 PolarHBondContact O-N 3.24Å
54	A	88.1	Confident	78.2	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	138	172.9	0	0	0	0	0	111.1	P52 Y70 I71 G72 M92 F94	P52-A54 PolarHBondContact O-N 3.42Å; A54-Y70 HydrophobicContact CB-CE1 4.29Å; A54-I71 WeakPolarHBondContact O-CA 3.27Å; A54-G72 WeakPolarHBondContact CA-O 3.29Å; A54-G72 WeakPolarHBondContact CB-O 3.36Å; A54-G72 PolarHBondContact N-O 2.87Å; A54-G72 PolarHBondContact O-N 2.98Å; A54-M92 HydrophobicContact CB-SD 3.95Å; A54-F94 HydrophobicContact CB-CD1 3.97Å; A54-F94 HydrophobicContact CB-CE1 3.74Å
55	E	90.1	Very high	79.2	Confident	29 Å²	29	76.6 Å²	76.6	14%	0.136	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.5	168.3	178	-178.4	-162.1	0	0	108.6	I57 Y70 I71 M92 R93 F100 W103	E55-I57 HydrophobicContact CG-CG2 4.44Å; E55-Y70 CarbonylContact C-O 3.59Å; E55-Y70 WeakPolarHBondContact CA-O 3.15Å; E55-I71 HydrophobicContact CG-CG1 4.19Å; E55-M92 VanDerWaalsContact O-CA 3.3Å; E55-M92 WeakPolarHBondContact O-CA 3.48Å; E55-M92 VanDerWaalsContact O-CG 3.28Å; E55-M92 WeakPolarHBondContact O-CG 3.39Å; E55-R93 HydrophobicContact CB-CG 4.28Å; E55-R93 PolarHBondContact N-O 2.84Å; E55-R93 PolarHBondContact O-N 2.89Å; E55-R93 IonicContact OE1-NH2 3.59Å; E55-R93 IonicContact OE2-CZ 3.13Å; E55-R93 IonicContact OE2-NE 2.75Å; E55-R93 PolarHBondContact OE2-NE 3.08Å; E55-R93 IonicContact OE2-NH2 2.69Å; E55-R93 PolarHBondContact OE2-NH2 3.02Å; E55-F100 HydrophobicContact CB-CE1 3.88Å; E55-F100 HydrophobicContact CB-CZ 4.35Å; E55-F100 VanDerWaalsContact OE2-CE1 3.31Å; E55-F100 WeakPolarHBondContact OE2-CE1 3.21Å; E55-F100 WeakPolarHBondContact OE2-CZ 3.27Å; E55-W103 HydrophobicContact CG-CH2 4.46Å
56	V	89.7	Confident	80.5	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.4	175.6	179.9	0	0	0	0	108.2	W32 G69 Y70 C77 F90 M92	W32-V56 HydrophobicContact CE3-CG2 4.27Å; W32-V56 HydrophobicContact CH2-CB 4.16Å; W32-V56 HydrophobicContact CH2-CG1 3.52Å; W32-V56 HydrophobicContact CH2-CG2 3.49Å; W32-V56 VanDerWaalsContact CH2-CG2 3.49Å; W32-V56 HydrophobicContact CZ2-CG1 4.28Å; W32-V56 HydrophobicContact CZ2-CG2 4.42Å; W32-V56 HydrophobicContact CZ3-CB 4.47Å; W32-V56 HydrophobicContact CZ3-CG1 4.24Å; W32-V56 HydrophobicContact CZ3-CG2 3.38Å; V56-G69 PolarHBondContact O-N 3.34Å; V56-Y70 HydrophobicContact CG2-CD1 4.14Å; V56-Y70 PolarHBondContact N-O 2.85Å; V56-Y70 PolarHBondContact O-N 2.89Å; V56-Y70 VanDerWaalsContact O-N 3.13Å; V56-C77 HydrophobicContact CG2-CB 4.37Å; V56-F90 HydrophobicContact CG1-CD1 4.32Å; V56-M92 HydrophobicContact CG2-CB 4.11Å; V56-M92 HydrophobicContact CG2-CG 3.66Å; V56-M92 HydrophobicContact CG2-SD 3.88Å
57	I	91.8	Very high	81.7	Confident	12 Å²	12	73.5 Å²	73.5	6%	0.062	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.7	169.7	59.6	176.6	0	0	0	109.8	E55 W66 E67 R91 W103	E55-I57 HydrophobicContact CG-CG2 4.44Å; I57-W66 HydrophobicContact CB-CB 4.33Å; I57-W66 HydrophobicContact CB-CE3 4.14Å; I57-W66 HydrophobicContact CD1-CB 3.79Å; I57-W66 HydrophobicContact CD1-CD2 3.83Å; I57-W66 HydrophobicContact CD1-CE3 3.82Å; I57-W66 HydrophobicContact CD1-CG 3.84Å; I57-W66 HydrophobicContact CG1-CB 4.39Å; I57-W66 HydrophobicContact CG1-CD2 4.16Å; I57-W66 HydrophobicContact CG1-CE3 3.6Å; I57-W66 HydrophobicContact CG1-CZ3 4.24Å; I57-E67 CarbonylContact C-O 3.52Å; I57-E67 WeakPolarHBondContact CA-O 3.44Å; I57-E67 VanDerWaalsContact CB-O 3.27Å; I57-E67 WeakPolarHBondContact CB-O 3.48Å; I57-R91 HydrophobicContact CD1-CG 3.95Å; I57-R91 VanDerWaalsContact CD1-NH2 3.34Å; I57-R91 HydrophobicContact CG1-CG 3.61Å; I57-R91 PolarHBondContact N-O 3.4Å; I57-R91 VanDerWaalsContact N-O 3.08Å; I57-R91 PolarHBondContact O-N 3.09Å; I57-R91 VanDerWaalsContact O-N 3.11Å; I57-W103 HydrophobicContact CB-CH2 4.28Å; I57-W103 HydrophobicContact CD1-CD2 4.35Å; I57-W103 HydrophobicContact CD1-CE3 4.27Å; I57-W103 HydrophobicContact CD1-CH2 3.25Å; I57-W103 HydrophobicContact CD1-CZ2 3.3Å; I57-W103 HydrophobicContact CD1-CZ3 3.75Å; I57-W103 HydrophobicContact CG1-CE3 4.29Å; I57-W103 HydrophobicContact CG1-CH2 3.46Å; I57-W103 VanDerWaalsContact CG1-CH2 3.46Å; I57-W103 HydrophobicContact CG1-CZ2 4.07Å; I57-W103 HydrophobicContact CG1-CZ3 3.58Å; I57-W103 HydrophobicContact CG2-CH2 3.88Å
58	F	91.2	Very high	83.1	Confident	23 Å²	23	72.2 Å²	72.2	10%	0.101	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161	178.4	72.6	-81.6	0	0	0	111.2	E67 L82 Y88 Y89 F90	F58-E67 HydrophobicContact CD1-CB 4.47Å; F58-E67 HydrophobicContact CE1-CB 4.01Å; F58-E67 HydrophobicContact CZ-CB 4.02Å; F58-E67 PolarHBondContact N-O 2.87Å; F58-E67 PolarHBondContact O-N 3.11Å; F58-L82 HydrophobicContact CD2-CD2 4.14Å; F58-L82 HydrophobicContact CE2-CD2 3.92Å; F58-Y88 AromaticContact CD2-CD1 3.79Å; F58-Y88 HydrophobicContact CD2-CD1 3.79Å; F58-Y88 HydrophobicContact CD2-CE1 4.04Å; F58-Y88 HydrophobicContact CE2-CD1 4.35Å; F58-Y88 HydrophobicContact CE2-CE1 4.13Å; F58-Y89 CarbonylContact C-O 3.55Å; F58-Y89 WeakPolarHBondContact CA-O 3.37Å; F58-F90 HydrophobicContact CB-CD1 3.43Å; F58-F90 VanDerWaalsContact CB-CD1 3.43Å; F58-F90 HydrophobicContact CB-CE1 3.39Å; F58-F90 HydrophobicContact CB-CG 4.25Å; F58-F90 HydrophobicContact CB-CZ 4.18Å; F58-F90 HydrophobicContact CG-CE1 4.06Å
59	K	90.7	Very high	84.1	Confident	45 Å²	45	68.4 Å²	68.4	20%	0.196	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154	168.9	67.9	173.9	-161.4	137.5	0	110.8	S63 D65 W66 Y88 Y89	K59-S63 WeakPolarHBondContact CD-O 3.38Å; K59-S63 PolarHBondContact NZ-O 2.86Å; K59-D65 VanDerWaalsContact CB-O 3.27Å; K59-D65 WeakPolarHBondContact CB-O 3.48Å; K59-W66 HydrophobicContact CB-CD2 4.21Å; K59-W66 HydrophobicContact CB-CE3 4.14Å; K59-W66 HydrophobicContact CD-CD2 3.88Å; K59-W66 HydrophobicContact CD-CE3 4.35Å; K59-W66 HydrophobicContact CD-CG 4.31Å; K59-W66 HydrophobicContact CD-CH2 4.3Å; K59-W66 HydrophobicContact CD-CZ2 3.81Å; K59-W66 HydrophobicContact CG-CD2 4Å; K59-W66 HydrophobicContact CG-CE3 3.97Å; K59-W66 HydrophobicContact CG-CH2 4.1Å; K59-W66 HydrophobicContact CG-CZ2 4.12Å; K59-W66 HydrophobicContact CG-CZ3 4.02Å; K59-Y88 WeakPolarHBondContact O-CA 3.43Å; K59-Y89 HydrophobicContact CG-CD2 4.45Å; K59-Y89 PolarHBondContact N-O 2.92Å; K59-Y89 PolarHBondContact O-N 3.07Å
60	K	87.9	Confident	85.2	Confident	56 Å²	56	61.9 Å²	61.9	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	152	168	-62.3	176.1	-173.3	-175.1	0	109.8	S62 S63 E83 T86 Y88	K60-S62 PolarHBondContact O-N 2.93Å; K60-S63 WeakPolarHBondContact O-CB 3.46Å; K60-S63 PolarHBondContact O-N 3.22Å; K60-E83 WeakPolarHBondContact CE-OE2 3.28Å; K60-E83 IonicContact NZ-OE1 2.69Å; K60-E83 PolarHBondContact NZ-OE1 3.03Å; K60-E83 IonicContact NZ-OE2 2.78Å; K60-E83 PolarHBondContact NZ-OE2 3.46Å; K60-T86 HydrophobicContact CB-CG2 4.39Å; K60-T86 HydrophobicContact CD-CG2 4.42Å; K60-T86 HydrophobicContact CG-CG2 4.13Å; K60-Y88 HydrophobicContact CB-CE1 4.4Å; K60-Y88 HydrophobicContact CD-CE1 4.25Å; K60-Y88 VanDerWaalsContact CE-OH 3.3Å; K60-Y88 WeakPolarHBondContact CE-OH 3.37Å; K60-Y88 HydrophobicContact CG-CD1 3.98Å; K60-Y88 HydrophobicContact CG-CE1 3.31Å
61	D	83	Confident	86.1	Confident	88 Å²	88	62.4 Å²	62.4	47%	0.471	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39	177	-170.2	56.9	0	0	0	113.5	S63 P87 Y89	D61-S63 VanDerWaalsContact C-N 3.29Å; D61-S63 PolarHBondContact O-N 2.71Å; D61-P87 HydrophobicContact CB-CB 3.97Å; D61-P87 HydrophobicContact CB-CG 3.62Å; D61-P87 PolarHBondContact N-O 3.03Å; D61-Y89 HydrophobicContact CB-CE2 3.72Å; D61-Y89 WeakPolarHBondContact OD1-CE2 3.46Å; D61-Y89 VanDerWaalsContact OD1-CZ 3.24Å; D61-Y89 PolarHBondContact OD1-OH 2.85Å
62	S	78.9	Confident	86.8	Confident	114 Å²	114	57.7 Å²	57.7	80%	0.797	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.5	175.7	54.5	0	0	0	0	114.4	K60	K60-S62 PolarHBondContact O-N 2.93Å
63	S	85	Confident	87	Confident	33 Å²	33	65.1 Å²	65.1	23%	0.231	34%	0.337	C	S	.	.			trans	-92.1	134.9	-178.7	-173.9	0	0	0	0	111.9	K59 K60 D61 D65	K59-S63 WeakPolarHBondContact CD-O 3.38Å; K59-S63 PolarHBondContact NZ-O 2.86Å; K60-S63 WeakPolarHBondContact O-CB 3.46Å; K60-S63 PolarHBondContact O-N 3.22Å; D61-S63 VanDerWaalsContact C-N 3.29Å; D61-S63 PolarHBondContact O-N 2.71Å; S63-D65 PolarHBondContact OG-N 3Å; S63-D65 PolarHBondContact OG-O 2.83Å
64	E	83.2	Confident	86.9	Confident	178 Å²	178	66.8 Å²	66.8	83%	0.832	35%	0.346	S	S	*	.	S	Bend	trans	-80.6	-33.5	167.5	-65.2	-167.2	166.6	0	0	111.7
65	D	88.9	Confident	86.6	Confident	128 Å²	128	68.5 Å²	68.5	68%	0.684	35%	0.354	S	S	*	.	S	Bend	trans	-85	140.1	-175.2	-70.1	-39.6	0	0	0	112.3	K59 S63	K59-D65 VanDerWaalsContact CB-O 3.27Å; K59-D65 WeakPolarHBondContact CB-O 3.48Å; S63-D65 PolarHBondContact OG-N 3Å; S63-D65 PolarHBondContact OG-O 2.83Å
66	W	91.2	Very high	86.2	Confident	72 Å²	72	74 Å²	74	27%	0.273	37%	0.373	S	S	.	.			trans	-94.8	134.1	173.3	-69.3	85	0	0	0	110.6	I57 K59 Y89 R91 V106	I57-W66 HydrophobicContact CB-CB 4.33Å; I57-W66 HydrophobicContact CB-CE3 4.14Å; I57-W66 HydrophobicContact CD1-CB 3.79Å; I57-W66 HydrophobicContact CD1-CD2 3.83Å; I57-W66 HydrophobicContact CD1-CE3 3.82Å; I57-W66 HydrophobicContact CD1-CG 3.84Å; I57-W66 HydrophobicContact CG1-CB 4.39Å; I57-W66 HydrophobicContact CG1-CD2 4.16Å; I57-W66 HydrophobicContact CG1-CE3 3.6Å; I57-W66 HydrophobicContact CG1-CZ3 4.24Å; K59-W66 HydrophobicContact CB-CD2 4.21Å; K59-W66 HydrophobicContact CB-CE3 4.14Å; K59-W66 HydrophobicContact CD-CD2 3.88Å; K59-W66 HydrophobicContact CD-CE3 4.35Å; K59-W66 HydrophobicContact CD-CG 4.31Å; K59-W66 HydrophobicContact CD-CH2 4.3Å; K59-W66 HydrophobicContact CD-CZ2 3.81Å; K59-W66 HydrophobicContact CG-CD2 4Å; K59-W66 HydrophobicContact CG-CE3 3.97Å; K59-W66 HydrophobicContact CG-CH2 4.1Å; K59-W66 HydrophobicContact CG-CZ2 4.12Å; K59-W66 HydrophobicContact CG-CZ3 4.02Å; W66-Y89 VanDerWaalsContact CZ3-O 3.26Å; W66-Y89 WeakPolarHBondContact CZ3-O 3.14Å; W66-R91 HydrophobicContact CE3-CG 4.17Å; W66-R91 HydrophobicContact CH2-CB 4.5Å; W66-R91 HydrophobicContact CH2-CG 3.79Å; W66-R91 HydrophobicContact CZ2-CG 4.39Å; W66-R91 HydrophobicContact CZ3-CG 3.66Å; W66-V106 HydrophobicContact CH2-CG1 4.22Å; W66-V106 HydrophobicContact CH2-CG2 4.31Å
67	E	87.9	Confident	85.7	Confident	109 Å²	109	74.3 Å²	74.3	51%	0.509	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150	179.5	-64	-177.5	-178.4	0	0	111.5	I57 F58 G69	I57-E67 CarbonylContact C-O 3.52Å; I57-E67 WeakPolarHBondContact CA-O 3.44Å; I57-E67 VanDerWaalsContact CB-O 3.27Å; I57-E67 WeakPolarHBondContact CB-O 3.48Å; F58-E67 HydrophobicContact CD1-CB 4.47Å; F58-E67 HydrophobicContact CE1-CB 4.01Å; F58-E67 HydrophobicContact CZ-CB 4.02Å; F58-E67 PolarHBondContact N-O 2.87Å; F58-E67 PolarHBondContact O-N 3.11Å; E67-G69 PolarHBondContact O-N 3.13Å
68	S	85.2	Confident	85.1	Confident	77 Å²	77	76.6 Å²	76.6	54%	0.538	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.9	176.5	177.4	0	0	0	0	110.7
69	G	82.4	Confident	84.5	Confident	27 Å²	27	75.7 Å²	75.7	28%	0.278	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-40.3	177.8	0	0	0	0	0	113.9	V56 E67	V56-G69 PolarHBondContact O-N 3.34Å; E67-G69 PolarHBondContact O-N 3.13Å
70	Y	86	Confident	83.8	Confident	61 Å²	61	80.2 Å²	80.2	24%	0.239	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	140.6	-178	171.9	-93.9	0	0	0	111.5	A54 E55 V56 G72 D74 C77	A54-Y70 HydrophobicContact CB-CE1 4.29Å; E55-Y70 CarbonylContact C-O 3.59Å; E55-Y70 WeakPolarHBondContact CA-O 3.15Å; V56-Y70 HydrophobicContact CG2-CD1 4.14Å; V56-Y70 PolarHBondContact N-O 2.85Å; V56-Y70 PolarHBondContact O-N 2.89Å; V56-Y70 VanDerWaalsContact O-N 3.13Å; Y70-G72 WeakPolarHBondContact OH-CA 3.44Å; Y70-D74 VanDerWaalsContact OH-CB 3.24Å; Y70-D74 WeakPolarHBondContact OH-CB 3.3Å; Y70-D74 PolarHBondContact OH-N 2.85Å; Y70-C77 HydrophobicContact CD1-CB 3.87Å; Y70-C77 HydrophobicContact CD2-CB 3.97Å; Y70-C77 HydrophobicContact CE1-CB 4.43Å; Y70-C77 HydrophobicContact CG-CB 3.62Å
71	I	87.3	Confident	83	Confident	101 Å²	101	85 Å²	85	52%	0.518	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119	169.5	-58.9	175.7	0	0	0	107.7	L53 A54 E55	L53-I71 HydrophobicContact CD1-CG2 4.11Å; L53-I71 HydrophobicContact CD2-CG2 4.09Å; L53-I71 HydrophobicContact CG-CG2 4.21Å; A54-I71 WeakPolarHBondContact O-CA 3.27Å; E55-I71 HydrophobicContact CG-CG1 4.19Å
72	G	88.6	Confident	82.8	Confident	11 Å²	11	81.3 Å²	81.3	11%	0.113	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-169.6	-177.9	0	0	0	0	0	113.2	L53 A54 Y70	L53-G72 CarbonylContact C-O 3.51Å; L53-G72 WeakPolarHBondContact CD1-O 3.07Å; A54-G72 WeakPolarHBondContact CA-O 3.29Å; A54-G72 WeakPolarHBondContact CB-O 3.36Å; A54-G72 PolarHBondContact N-O 2.87Å; A54-G72 PolarHBondContact O-N 2.98Å; Y70-G72 WeakPolarHBondContact OH-CA 3.44Å
73	Y	85.3	Confident	82.4	Confident	163 Å²	163	80.3 Å²	80.3	64%	0.639	40%	0.397	S	S	*	.	S	Bend	trans	-102.4	2.9	-176.8	-62.5	-81.1	0	0	0	113.4	L53	L53-Y73 HydrophobicContact CB-CE1 4.33Å; L53-Y73 HydrophobicContact CD1-CD1 4.33Å; L53-Y73 HydrophobicContact CD1-CE1 4.03Å; L53-Y73 HydrophobicContact CD1-CE2 4.27Å
74	D	82.9	Confident	81.6	Confident	75 Å²	75	81.3 Å²	81.3	40%	0.401	40%	0.403	S	S	.	.			trans	-93.5	141.1	-178.7	-156.2	-26	0	0	0	110.6	Y70 R76	Y70-D74 VanDerWaalsContact OH-CB 3.24Å; Y70-D74 WeakPolarHBondContact OH-CB 3.3Å; Y70-D74 PolarHBondContact OH-N 2.85Å; D74-R76 PolarHBondContact OD1-N 2.93Å
75	H	81.7	Confident	81.1	Confident	37 Å²	37	77 Å²	77	17%	0.171	39%	0.386	C	S	.	.	S	Bend	trans	-75.1	-11.4	168.2	60.2	-4.7	0	0	0	113.2	D31 W32 K33 L36	D31-H75 IonicContact OD1-CD2 3.94Å; W32-H75 PolarHBondContact N-O 3.33Å; K33-H75 VanDerWaalsContact CB-CD2 3.45Å; K33-H75 WeakPolarHBondContact CB-CD2 3.31Å; L36-H75 HydrophobicContact CD2-CB 4.01Å
76	R	81.7	Confident	80.6	Confident	144 Å²	144	72.1 Å²	72.1	54%	0.543	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.5	173.8	-70.2	-178.7	-155.8	158.1	12.7	110.2	L30 D31 D74	L30-R76 VanDerWaalsContact O-CA 3.29Å; L30-R76 WeakPolarHBondContact O-CA 3.36Å; D31-R76 HydrophobicContact CB-CG 4.05Å; D31-R76 IonicContact OD2-NE 3.08Å; D31-R76 PolarHBondContact OD2-NE 3.35Å; D31-R76 VanDerWaalsContact OD2-NE 3.08Å; D74-R76 PolarHBondContact OD1-N 2.93Å
77	C	80.3	Confident	80.4	Confident	6 Å²	6	70.3 Å²	70.3	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.5	170.1	84.3	0	0	0	0	111.5	E29 L30 W32 V56 Y70	E29-C77 WeakPolarHBondContact CA-O 3.5Å; L30-C77 PolarHBondContact N-O 2.78Å; L30-C77 PolarHBondContact O-N 2.93Å; L30-C77 VanDerWaalsContact O-N 3.07Å; W32-C77 HydrophobicContact CZ3-CB 4.36Å; W32-C77 WeakPolarHBondContact CZ3-SG 3.45Å; V56-C77 HydrophobicContact CG2-CB 4.37Å; Y70-C77 HydrophobicContact CD1-CB 3.87Å; Y70-C77 HydrophobicContact CD2-CB 3.97Å; Y70-C77 HydrophobicContact CE1-CB 4.43Å; Y70-C77 HydrophobicContact CG-CB 3.62Å
78	T	78.5	Confident	80.5	Confident	61 Å²	61	65.2 Å²	65.2	37%	0.374	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.8	169.1	-48.9	0	0	0	0	108.3	N27 V28 E29 K80	N27-T78 HydrophobicContact CB-CG2 3.99Å; V28-T78 WeakPolarHBondContact O-CA 3.22Å; E29-T78 HydrophobicContact CG-CG2 4.2Å; T78-K80 HydrophobicContact CG2-CG 4.31Å
79	C	77.8	Confident	80.7	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	172.4	-67.5	0	0	0	0	108.8	N27 V28 L82 F90	N27-C79 VanDerWaalsContact CA-O 3.24Å; N27-C79 WeakPolarHBondContact CA-O 3.45Å; V28-C79 PolarHBondContact N-O 2.69Å; V28-C79 VanDerWaalsContact N-O 3.08Å; V28-C79 PolarHBondContact O-N 2.78Å; C79-L82 HydrophobicContact CB-CD1 4.23Å; C79-F90 HydrophobicContact CB-CE1 3.82Å; C79-F90 HydrophobicContact CB-CZ 4.39Å
80	K	77.1	Confident	81.2	Confident	139 Å²	139	63 Å²	63	60%	0.604	31%	0.306	S	S	*	.			trans	-106.8	168.7	-173.7	-50.6	-166.4	176.2	-179.4	0	112.3	G26 N27 T78 L82	G26-K80 CarbonylContact O-C 3.42Å; G26-K80 VanDerWaalsContact O-CA 3.24Å; G26-K80 WeakPolarHBondContact O-CA 3.13Å; N27-K80 VanDerWaalsContact OD1-CA 3.29Å; N27-K80 WeakPolarHBondContact OD1-CA 3.39Å; N27-K80 VanDerWaalsContact OD1-CB 3.27Å; N27-K80 WeakPolarHBondContact OD1-CB 3.24Å; N27-K80 WeakPolarHBondContact OD1-CG 3.42Å; T78-K80 HydrophobicContact CG2-CG 4.31Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 2.69Å
81	N	71.3	Confident	81.4	Confident	156 Å²	156	61.4 Å²	61.4	83%	0.834	30%	0.3	S	S	*	.	S	Bend	trans	61.1	31.2	175.5	-52.9	-32.9	0	0	0	114.1	G26	G26-N81 PolarHBondContact O-N 3.07Å
82	L	78.2	Confident	81.4	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-78.6	141.9	177	-57.1	175	0	0	0	110.7	G26 V28 F58 C79 K80 Y88 F90 T111	G26-L82 WeakPolarHBondContact CA-O 3.49Å; G26-L82 PolarHBondContact O-N 2.93Å; G26-L82 VanDerWaalsContact O-N 3.15Å; V28-L82 HydrophobicContact CB-CD1 4.05Å; V28-L82 HydrophobicContact CG2-CD1 3.6Å; F58-L82 HydrophobicContact CD2-CD2 4.14Å; F58-L82 HydrophobicContact CE2-CD2 3.92Å; C79-L82 HydrophobicContact CB-CD1 4.23Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 2.69Å; L82-Y88 HydrophobicContact CB-CD2 4.36Å; L82-Y88 HydrophobicContact CB-CE2 3.75Å; L82-Y88 HydrophobicContact CD1-CD2 4.47Å; L82-Y88 HydrophobicContact CD2-CD1 4.01Å; L82-Y88 HydrophobicContact CD2-CD2 4.46Å; L82-Y88 HydrophobicContact CD2-CE1 3.67Å; L82-Y88 HydrophobicContact CD2-CE2 4.21Å; L82-Y88 HydrophobicContact CD2-CG 4.39Å; L82-Y88 HydrophobicContact CG-CE2 4.41Å; L82-F90 HydrophobicContact CD1-CZ 4.01Å; L82-T111 HydrophobicContact CB-CG2 3.77Å; L82-T111 HydrophobicContact CD1-CG2 4.2Å
83	E	71.1	Confident	81.4	Confident	93 Å²	93	58.2 Å²	58.2	44%	0.435	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-68.4	142.6	175.2	-71.8	167.7	-177.8	0	0	111.6	K60 T86 Y88 T111	K60-E83 WeakPolarHBondContact CE-OE2 3.28Å; K60-E83 IonicContact NZ-OE1 2.69Å; K60-E83 PolarHBondContact NZ-OE1 3.03Å; K60-E83 IonicContact NZ-OE2 2.78Å; K60-E83 PolarHBondContact NZ-OE2 3.46Å; E83-T86 HydrophobicContact CB-CG2 4.44Å; E83-T86 VanDerWaalsContact CB-OG1 3.31Å; E83-T86 WeakPolarHBondContact CB-OG1 3.44Å; E83-T86 WeakPolarHBondContact O-CB 3.29Å; E83-Y88 WeakPolarHBondContact CB-OH 3.31Å; E83-Y88 PolarHBondContact N-OH 3.23Å; E83-T111 PolarHBondContact O-OG1 3.36Å
84	P	66.9	Low	81.4	Confident	54 Å²	54	50.8 Å²	50.8	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	155.2	177.8	31.7	-39.5	0	0	0	112.3	T86 L114	P84-T86 PolarHBondContact O-N 3.31Å; P84-T86 PolarHBondContact O-OG1 2.87Å; P84-L114 HydrophobicContact CB-CD1 3.58Å; P84-L114 HydrophobicContact CB-CG 3.86Å; P84-L114 HydrophobicContact CG-CD1 3.55Å; P84-L114 HydrophobicContact CG-CG 4.31Å
85	D	73.2	Confident	81.4	Confident	88 Å²	88	51.4 Å²	51.4	47%	0.471	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	21.1	179.3	-166.6	35	0	0	0	113.7	Q110 T111	D85-Q110 PolarHBondContact OD1-NE2 3.13Å; D85-T111 PolarHBondContact N-OG1 2.91Å
86	T	79.4	Confident	81.2	Confident	25 Å²	25	52.7 Å²	52.7	15%	0.153	26%	0.256	C	S	.	.			trans	-103.1	123.5	-173.4	-61.1	0	0	0	0	107.5	K60 E83 P84 Y88 T111	K60-T86 HydrophobicContact CB-CG2 4.39Å; K60-T86 HydrophobicContact CD-CG2 4.42Å; K60-T86 HydrophobicContact CG-CG2 4.13Å; E83-T86 HydrophobicContact CB-CG2 4.44Å; E83-T86 VanDerWaalsContact CB-OG1 3.31Å; E83-T86 WeakPolarHBondContact CB-OG1 3.44Å; E83-T86 WeakPolarHBondContact O-CB 3.29Å; P84-T86 PolarHBondContact O-N 3.31Å; P84-T86 PolarHBondContact O-OG1 2.87Å; T86-Y88 HydrophobicContact CG2-CD2 4.28Å; T86-Y88 HydrophobicContact CG2-CE2 3.64Å; T86-Y88 WeakPolarHBondContact O-CD2 3.08Å; T86-Y88 WeakPolarHBondContact O-CE2 3.41Å; T86-Y88 PolarHBondContact O-N 3.42Å; T86-T111 PolarHBondContact N-OG1 2.98Å
87	P	86.5	Confident	80.6	Confident	35 Å²	35	52.2 Å²	52.2	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.1	174.9	13.8	-12.8	0	0	0	110.2	D61 H108	D61-P87 HydrophobicContact CB-CB 3.97Å; D61-P87 HydrophobicContact CB-CG 3.62Å; D61-P87 PolarHBondContact N-O 3.03Å; P87-H108 WeakPolarHBondContact CB-CE1 3.3Å
88	Y	89.3	Confident	80.2	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.8	174.9	-72.2	-86.3	0	0	0	111.1	F58 K59 K60 L82 E83 T86 F90 H108 V109 T111	F58-Y88 AromaticContact CD2-CD1 3.79Å; F58-Y88 HydrophobicContact CD2-CD1 3.79Å; F58-Y88 HydrophobicContact CD2-CE1 4.04Å; F58-Y88 HydrophobicContact CE2-CD1 4.35Å; F58-Y88 HydrophobicContact CE2-CE1 4.13Å; K59-Y88 WeakPolarHBondContact O-CA 3.43Å; K60-Y88 HydrophobicContact CB-CE1 4.4Å; K60-Y88 HydrophobicContact CD-CE1 4.25Å; K60-Y88 VanDerWaalsContact CE-OH 3.3Å; K60-Y88 WeakPolarHBondContact CE-OH 3.37Å; K60-Y88 HydrophobicContact CG-CD1 3.98Å; K60-Y88 HydrophobicContact CG-CE1 3.31Å; L82-Y88 HydrophobicContact CB-CD2 4.36Å; L82-Y88 HydrophobicContact CB-CE2 3.75Å; L82-Y88 HydrophobicContact CD1-CD2 4.47Å; L82-Y88 HydrophobicContact CD2-CD1 4.01Å; L82-Y88 HydrophobicContact CD2-CD2 4.46Å; L82-Y88 HydrophobicContact CD2-CE1 3.67Å; L82-Y88 HydrophobicContact CD2-CE2 4.21Å; L82-Y88 HydrophobicContact CD2-CG 4.39Å; L82-Y88 HydrophobicContact CG-CE2 4.41Å; E83-Y88 WeakPolarHBondContact CB-OH 3.31Å; E83-Y88 PolarHBondContact N-OH 3.23Å; T86-Y88 HydrophobicContact CG2-CD2 4.28Å; T86-Y88 HydrophobicContact CG2-CE2 3.64Å; T86-Y88 WeakPolarHBondContact O-CD2 3.08Å; T86-Y88 WeakPolarHBondContact O-CE2 3.41Å; T86-Y88 PolarHBondContact O-N 3.42Å; Y88-F90 VanDerWaalsContact CB-CE2 3.46Å; Y88-F90 HydrophobicContact CG-CE2 4.48Å; Y88-F90 HydrophobicContact CG-CZ 4.41Å; Y88-H108 WeakPolarHBondContact O-CA 3.33Å; Y88-V109 PolarHBondContact N-O 2.87Å; Y88-V109 PolarHBondContact O-N 3.06Å; Y88-T111 HydrophobicContact CD2-CG2 3.87Å; Y88-T111 HydrophobicContact CE2-CG2 3.89Å
89	Y	90.5	Very high	80.1	Confident	56 Å²	56	64.6 Å²	64.6	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.8	173.7	-63.2	-88.7	0	0	0	109.1	F58 K59 D61 W66 V106 V107 H108	F58-Y89 CarbonylContact C-O 3.55Å; F58-Y89 WeakPolarHBondContact CA-O 3.37Å; K59-Y89 HydrophobicContact CG-CD2 4.45Å; K59-Y89 PolarHBondContact N-O 2.92Å; K59-Y89 PolarHBondContact O-N 3.07Å; D61-Y89 HydrophobicContact CB-CE2 3.72Å; D61-Y89 WeakPolarHBondContact OD1-CE2 3.46Å; D61-Y89 VanDerWaalsContact OD1-CZ 3.24Å; D61-Y89 PolarHBondContact OD1-OH 2.85Å; W66-Y89 VanDerWaalsContact CZ3-O 3.26Å; W66-Y89 WeakPolarHBondContact CZ3-O 3.14Å; Y89-V106 HydrophobicContact CD1-CG1 3.6Å; Y89-V106 HydrophobicContact CG-CG1 4.07Å; Y89-V107 CarbonylContact C-O 3.19Å; Y89-V107 VanDerWaalsContact CA-O 3.27Å; Y89-V107 WeakPolarHBondContact CA-O 3.24Å; Y89-H108 HydrophobicContact CD1-CB 4.18Å; Y89-H108 AromaticContact CD1-ND1 3.93Å; Y89-H108 HydrophobicContact CE1-CB 4.02Å; Y89-H108 AromaticContact CE1-ND1 3.27Å; Y89-H108 VanDerWaalsContact CE1-ND1 3.27Å; Y89-H108 WeakPolarHBondContact CE1-ND1 3.09Å; Y89-H108 AromaticContact CE2-ND1 3.93Å; Y89-H108 AromaticContact CZ-CE1 3.98Å; Y89-H108 AromaticContact CZ-ND1 3.31Å; Y89-H108 VanDerWaalsContact CZ-ND1 3.31Å; Y89-H108 PolarHBondContact OH-ND1 2.71Å
90	F	90.9	Very high	80.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.9	179	-61.3	-91.7	0	0	0	110.5	V28 L30 W32 V56 F58 C79 L82 Y88 V106 V107 V109	V28-F90 HydrophobicContact CB-CZ 4.3Å; V28-F90 HydrophobicContact CG1-CE2 4.34Å; V28-F90 HydrophobicContact CG1-CZ 4.46Å; V28-F90 HydrophobicContact CG2-CZ 4.45Å; L30-F90 HydrophobicContact CD1-CB 3.7Å; L30-F90 HydrophobicContact CD1-CD1 3.49Å; L30-F90 VanDerWaalsContact CD1-CD1 3.49Å; L30-F90 HydrophobicContact CD1-CD2 3.96Å; L30-F90 HydrophobicContact CD1-CE1 4.09Å; L30-F90 HydrophobicContact CD1-CE2 4.47Å; L30-F90 HydrophobicContact CD1-CG 3.43Å; L30-F90 VanDerWaalsContact CD1-CG 3.43Å; W32-F90 HydrophobicContact CZ2-CB 4.38Å; V56-F90 HydrophobicContact CG1-CD1 4.32Å; F58-F90 HydrophobicContact CB-CD1 3.43Å; F58-F90 VanDerWaalsContact CB-CD1 3.43Å; F58-F90 HydrophobicContact CB-CE1 3.39Å; F58-F90 HydrophobicContact CB-CG 4.25Å; F58-F90 HydrophobicContact CB-CZ 4.18Å; F58-F90 HydrophobicContact CG-CE1 4.06Å; C79-F90 HydrophobicContact CB-CE1 3.82Å; C79-F90 HydrophobicContact CB-CZ 4.39Å; L82-F90 HydrophobicContact CD1-CZ 4.01Å; Y88-F90 VanDerWaalsContact CB-CE2 3.46Å; Y88-F90 HydrophobicContact CG-CE2 4.48Å; Y88-F90 HydrophobicContact CG-CZ 4.41Å; F90-V106 CarbonylContact O-C 3.5Å; F90-V106 WeakPolarHBondContact O-CA 3.24Å; F90-V107 PolarHBondContact N-O 2.83Å; F90-V107 PolarHBondContact O-N 3.26Å; F90-V109 HydrophobicContact CD2-CB 4.31Å; F90-V109 HydrophobicContact CD2-CG2 3.95Å; F90-V109 HydrophobicContact CE2-CB 3.98Å; F90-V109 HydrophobicContact CE2-CG2 4.06Å
91	R	90.2	Very high	80.5	Confident	28 Å²	28	62.6 Å²	62.6	11%	0.106	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.6	167.1	58.7	-177.5	177.4	157.3	6	109.7	I57 W66 W103 V106	I57-R91 HydrophobicContact CD1-CG 3.95Å; I57-R91 VanDerWaalsContact CD1-NH2 3.34Å; I57-R91 HydrophobicContact CG1-CG 3.61Å; I57-R91 PolarHBondContact N-O 3.4Å; I57-R91 VanDerWaalsContact N-O 3.08Å; I57-R91 PolarHBondContact O-N 3.09Å; I57-R91 VanDerWaalsContact O-N 3.11Å; W66-R91 HydrophobicContact CE3-CG 4.17Å; W66-R91 HydrophobicContact CH2-CB 4.5Å; W66-R91 HydrophobicContact CH2-CG 3.79Å; W66-R91 HydrophobicContact CZ2-CG 4.39Å; W66-R91 HydrophobicContact CZ3-CG 3.66Å; R91-W103 HydrophobicContact CB-CE3 4.02Å; R91-W103 HydrophobicContact CG-CD2 3.95Å; R91-W103 HydrophobicContact CG-CE3 3.53Å; R91-W103 HydrophobicContact CG-CG 4.42Å; R91-W103 HydrophobicContact CG-CZ3 4.04Å; R91-V106 HydrophobicContact CB-CG2 4.5Å
92	M	88.2	Confident	81.1	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.6	-177.8	-168.6	-177.3	67	0	0	111.1	W32 Y35 A54 E55 V56 F94 S104	W32-M92 HydrophobicContact CB-CE 3.12Å; W32-M92 HydrophobicContact CB-SD 4.03Å; W32-M92 HydrophobicContact CD2-CB 3.88Å; W32-M92 HydrophobicContact CD2-CE 3.61Å; W32-M92 HydrophobicContact CD2-CG 4.31Å; W32-M92 HydrophobicContact CD2-SD 3.52Å; W32-M92 VanDerWaalsContact CD2-SD 3.52Å; W32-M92 HydrophobicContact CE3-CB 4.31Å; W32-M92 HydrophobicContact CE3-CE 3.96Å; W32-M92 HydrophobicContact CE3-CG 4.35Å; W32-M92 HydrophobicContact CE3-SD 3.3Å; W32-M92 HydrophobicContact CG-CB 4.31Å; W32-M92 HydrophobicContact CG-CE 3.25Å; W32-M92 HydrophobicContact CG-SD 3.87Å; W32-M92 HydrophobicContact CH2-CB 4.26Å; W32-M92 HydrophobicContact CZ2-CB 3.84Å; W32-M92 HydrophobicContact CZ3-CB 4.46Å; W32-M92 HydrophobicContact CZ3-SD 3.85Å; Y35-M92 HydrophobicContact CD1-CE 3.7Å; Y35-M92 HydrophobicContact CE1-CE 4.29Å; A54-M92 HydrophobicContact CB-SD 3.95Å; E55-M92 VanDerWaalsContact O-CA 3.3Å; E55-M92 WeakPolarHBondContact O-CA 3.48Å; E55-M92 VanDerWaalsContact O-CG 3.28Å; E55-M92 WeakPolarHBondContact O-CG 3.39Å; V56-M92 HydrophobicContact CG2-CB 4.11Å; V56-M92 HydrophobicContact CG2-CG 3.66Å; V56-M92 HydrophobicContact CG2-SD 3.88Å; M92-F94 HydrophobicContact CE-CD2 4Å; M92-F94 HydrophobicContact CE-CE1 3.95Å; M92-F94 HydrophobicContact CE-CE2 3.16Å; M92-F94 HydrophobicContact CE-CZ 3.11Å; M92-F94 HydrophobicContact SD-CE1 4.48Å; M92-F94 HydrophobicContact SD-CZ 4.14Å; M92-S104 PolarHBondContact N-OG 3.38Å; M92-S104 WeakPolarHBondContact O-CB 3.29Å; M92-S104 PolarHBondContact O-N 3.09Å; M92-S104 PolarHBondContact O-OG 3.15Å
93	R	88.2	Confident	81.5	Confident	45 Å²	45	63.5 Å²	63.5	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.5	169.3	65.2	-177	-174.4	-174.9	-8.1	110.4	E55 F100 W103	E55-R93 HydrophobicContact CB-CG 4.28Å; E55-R93 PolarHBondContact N-O 2.84Å; E55-R93 PolarHBondContact O-N 2.89Å; E55-R93 IonicContact OE1-NH2 3.59Å; E55-R93 IonicContact OE2-CZ 3.13Å; E55-R93 IonicContact OE2-NE 2.75Å; E55-R93 PolarHBondContact OE2-NE 3.08Å; E55-R93 IonicContact OE2-NH2 2.69Å; E55-R93 PolarHBondContact OE2-NH2 3.02Å; R93-F100 HydrophobicContact CG-CB 4.47Å; R93-F100 HydrophobicContact CG-CD1 3.67Å; R93-F100 HydrophobicContact CG-CE1 4.2Å; R93-F100 HydrophobicContact CG-CG 4.34Å; R93-W103 HydrophobicContact CB-CD2 4.28Å; R93-W103 HydrophobicContact CB-CE3 3.84Å; R93-W103 HydrophobicContact CB-CZ3 4.01Å; R93-W103 VanDerWaalsContact CD-CZ2 3.49Å; R93-W103 HydrophobicContact CG-CD2 4.33Å; R93-W103 HydrophobicContact CG-CE3 3.88Å; R93-W103 HydrophobicContact CG-CH2 3.72Å; R93-W103 HydrophobicContact CG-CZ2 4.2Å; R93-W103 HydrophobicContact CG-CZ3 3.56Å
94	F	85.5	Confident	82.1	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	179.7	-73.4	-76.6	0	0	0	110.2	Y35 L36 I39 P52 L53 A54 M92 G101	Y35-F94 AromaticContact CD1-CD2 3.95Å; Y35-F94 HydrophobicContact CD1-CD2 3.95Å; Y35-F94 AromaticContact CD1-CE2 3.5Å; Y35-F94 HydrophobicContact CD1-CE2 3.5Å; Y35-F94 VanDerWaalsContact CD1-CE2 3.5Å; Y35-F94 AromaticContact CE1-CD2 3.8Å; Y35-F94 HydrophobicContact CE1-CD2 3.8Å; Y35-F94 AromaticContact CE1-CE2 3.86Å; Y35-F94 HydrophobicContact CE1-CE2 3.86Å; Y35-F94 HydrophobicContact CG-CE2 4.3Å; L36-F94 HydrophobicContact CB-CE1 4.44Å; L36-F94 HydrophobicContact CB-CE2 4.1Å; L36-F94 HydrophobicContact CB-CZ 3.66Å; L36-F94 HydrophobicContact CD1-CD1 4.14Å; L36-F94 HydrophobicContact CD1-CE1 3.68Å; L36-F94 HydrophobicContact CD1-CE2 4.21Å; L36-F94 HydrophobicContact CD1-CZ 3.69Å; L36-F94 HydrophobicContact CG-CE1 4.47Å; L36-F94 HydrophobicContact CG-CZ 4.15Å; I39-F94 HydrophobicContact CD1-CB 4.3Å; I39-F94 HydrophobicContact CD1-CD2 3.32Å; I39-F94 HydrophobicContact CD1-CE2 3.94Å; I39-F94 HydrophobicContact CD1-CG 4.21Å; P52-F94 HydrophobicContact CB-CB 3.92Å; P52-F94 HydrophobicContact CB-CD1 3.93Å; P52-F94 HydrophobicContact CB-CG 4.29Å; P52-F94 HydrophobicContact CG-CB 4.32Å; P52-F94 HydrophobicContact CG-CD1 3.69Å; P52-F94 HydrophobicContact CG-CE1 4.3Å; P52-F94 HydrophobicContact CG-CG 4.21Å; L53-F94 CarbonylContact O-C 3.54Å; L53-F94 WeakPolarHBondContact O-CA 3.38Å; A54-F94 HydrophobicContact CB-CD1 3.97Å; A54-F94 HydrophobicContact CB-CE1 3.74Å; M92-F94 HydrophobicContact CE-CD2 4Å; M92-F94 HydrophobicContact CE-CE1 3.95Å; M92-F94 HydrophobicContact CE-CE2 3.16Å; M92-F94 HydrophobicContact CE-CZ 3.11Å; M92-F94 HydrophobicContact SD-CE1 4.48Å; M92-F94 HydrophobicContact SD-CZ 4.14Å; F94-G101 PolarHBondContact O-N 3.47Å
95	K	83.4	Confident	83	Confident	89 Å²	89	59.8 Å²	59.8	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132	171	-149.9	-174.1	172.3	176.2	0	110.1	P52 L53 F100	P52-K95 VanDerWaalsContact CA-O 3.31Å; P52-K95 WeakPolarHBondContact CA-O 3.42Å; P52-K95 WeakPolarHBondContact CB-O 3.43Å; L53-K95 HydrophobicContact CB-CB 3.89Å; L53-K95 HydrophobicContact CD2-CB 4.45Å; L53-K95 HydrophobicContact CD2-CD 4.16Å; L53-K95 PolarHBondContact N-O 3.23Å; L53-K95 PolarHBondContact O-N 3.24Å; K95-F100 HydrophobicContact CB-CD1 3.5Å; K95-F100 HydrophobicContact CB-CE1 3.42Å; K95-F100 VanDerWaalsContact CB-CE1 3.42Å; K95-F100 HydrophobicContact CB-CE2 4.42Å; K95-F100 HydrophobicContact CB-CG 4.1Å; K95-F100 HydrophobicContact CB-CZ 3.91Å; K95-F100 HydrophobicContact CD-CD2 4.23Å; K95-F100 HydrophobicContact CD-CE1 4.15Å; K95-F100 HydrophobicContact CD-CE2 3.76Å; K95-F100 HydrophobicContact CD-CZ 3.73Å; K95-F100 HydrophobicContact CG-CD1 3.8Å; K95-F100 HydrophobicContact CG-CD2 3.92Å; K95-F100 HydrophobicContact CG-CE1 3.83Å; K95-F100 HydrophobicContact CG-CE2 3.92Å; K95-F100 HydrophobicContact CG-CG 3.87Å; K95-F100 HydrophobicContact CG-CZ 3.89Å
96	N	76.3	Confident	83.6	Confident	64 Å²	64	59.1 Å²	59.1	34%	0.342	30%	0.296	S	S	.	.			trans	-104.7	-168	165.2	68.5	28.3	0	0	0	110.6	M43 K98 E99	M43-N96 HydrophobicContact CE-CB 3.65Å; N96-K98 PolarHBondContact O-N 2.92Å; N96-K98 WeakPolarHBondContact OD1-CA 3.38Å; N96-K98 PolarHBondContact OD1-N 3Å; N96-E99 PolarHBondContact N-O 2.96Å; N96-E99 PolarHBondContact OD1-N 3.08Å; N96-E99 PolarHBondContact OD1-O 2.93Å; N96-E99 VanDerWaalsContact OD1-O 3.07Å
97	L	69.2	Low	83.8	Confident	133 Å²	133	58.5 Å²	58.5	70%	0.696	29%	0.292	S	S	*	.	S	Bend	trans	-60.3	-26.2	179.3	-73.1	173.5	0	0	0	114.2	I50	I50-L97 HydrophobicContact CD1-CD1 3.63Å; I50-L97 HydrophobicContact CD1-CD2 3.81Å; I50-L97 HydrophobicContact CD1-CG 3.75Å
98	K	71.9	Confident	83.6	Confident	194 Å²	194	61.1 Å²	61.1	84%	0.843	30%	0.302	S	S	*	.	S	Bend	trans	-105.5	-41	-171.1	-65.5	-173.9	178.3	-179.5	0	112.6	N96	N96-K98 PolarHBondContact O-N 2.92Å; N96-K98 WeakPolarHBondContact OD1-CA 3.38Å; N96-K98 PolarHBondContact OD1-N 3Å
99	E	78.1	Confident	83.4	Confident	134 Å²	134	61.2 Å²	61.2	63%	0.626	30%	0.302	S	S	*	.			trans	-165.9	175.5	-174.5	61.7	-165.8	166.7	0	0	113	N96	N96-E99 PolarHBondContact N-O 2.96Å; N96-E99 PolarHBondContact OD1-N 3.08Å; N96-E99 PolarHBondContact OD1-O 2.93Å; N96-E99 VanDerWaalsContact OD1-O 3.07Å
100	F	81.9	Confident	82.9	Confident	63 Å²	63	63.4 Å²	63.4	28%	0.276	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-82.3	137.6	167	-79.8	-77.7	0	0	0	110.5	E55 R93 K95	E55-F100 HydrophobicContact CB-CE1 3.88Å; E55-F100 HydrophobicContact CB-CZ 4.35Å; E55-F100 VanDerWaalsContact OE2-CE1 3.31Å; E55-F100 WeakPolarHBondContact OE2-CE1 3.21Å; E55-F100 WeakPolarHBondContact OE2-CZ 3.27Å; R93-F100 HydrophobicContact CG-CB 4.47Å; R93-F100 HydrophobicContact CG-CD1 3.67Å; R93-F100 HydrophobicContact CG-CE1 4.2Å; R93-F100 HydrophobicContact CG-CG 4.34Å; K95-F100 HydrophobicContact CB-CD1 3.5Å; K95-F100 HydrophobicContact CB-CE1 3.42Å; K95-F100 VanDerWaalsContact CB-CE1 3.42Å; K95-F100 HydrophobicContact CB-CE2 4.42Å; K95-F100 HydrophobicContact CB-CG 4.1Å; K95-F100 HydrophobicContact CB-CZ 3.91Å; K95-F100 HydrophobicContact CD-CD2 4.23Å; K95-F100 HydrophobicContact CD-CE1 4.15Å; K95-F100 HydrophobicContact CD-CE2 3.76Å; K95-F100 HydrophobicContact CD-CZ 3.73Å; K95-F100 HydrophobicContact CG-CD1 3.8Å; K95-F100 HydrophobicContact CG-CD2 3.92Å; K95-F100 HydrophobicContact CG-CE1 3.83Å; K95-F100 HydrophobicContact CG-CE2 3.92Å; K95-F100 HydrophobicContact CG-CG 3.87Å; K95-F100 HydrophobicContact CG-CZ 3.89Å
101	G	79.5	Confident	81.9	Confident	37 Å²	37	63.5 Å²	63.5	38%	0.381	32%	0.315	S	S	.	.			trans	-70.5	-179.4	168.5	0	0	0	0	0	112.9	F94	F94-G101 PolarHBondContact O-N 3.47Å
102	N	83.9	Confident	80.5	Confident	142 Å²	142	66.3 Å²	66.3	76%	0.759	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-62	153.1	175.4	-68	-12.8	0	0	0	111.5	Y35	Y35-N102 PolarHBondContact OH-O 2.88Å
103	W	86.9	Confident	78.7	Confident	45 Å²	45	72.4 Å²	72.4	17%	0.17	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.1	141.1	168.9	-71.1	108.9	0	0	0	110.4	Y5 E55 I57 R91 R93	Y5-W103 AromaticContact CE1-NE1 3.93Å; E55-W103 HydrophobicContact CG-CH2 4.46Å; I57-W103 HydrophobicContact CB-CH2 4.28Å; I57-W103 HydrophobicContact CD1-CD2 4.35Å; I57-W103 HydrophobicContact CD1-CE3 4.27Å; I57-W103 HydrophobicContact CD1-CH2 3.25Å; I57-W103 HydrophobicContact CD1-CZ2 3.3Å; I57-W103 HydrophobicContact CD1-CZ3 3.75Å; I57-W103 HydrophobicContact CG1-CE3 4.29Å; I57-W103 HydrophobicContact CG1-CH2 3.46Å; I57-W103 VanDerWaalsContact CG1-CH2 3.46Å; I57-W103 HydrophobicContact CG1-CZ2 4.07Å; I57-W103 HydrophobicContact CG1-CZ3 3.58Å; I57-W103 HydrophobicContact CG2-CH2 3.88Å; R91-W103 HydrophobicContact CB-CE3 4.02Å; R91-W103 HydrophobicContact CG-CD2 3.95Å; R91-W103 HydrophobicContact CG-CE3 3.53Å; R91-W103 HydrophobicContact CG-CG 4.42Å; R91-W103 HydrophobicContact CG-CZ3 4.04Å; R93-W103 HydrophobicContact CB-CD2 4.28Å; R93-W103 HydrophobicContact CB-CE3 3.84Å; R93-W103 HydrophobicContact CB-CZ3 4.01Å; R93-W103 VanDerWaalsContact CD-CZ2 3.49Å; R93-W103 HydrophobicContact CG-CD2 4.33Å; R93-W103 HydrophobicContact CG-CE3 3.88Å; R93-W103 HydrophobicContact CG-CH2 3.72Å; R93-W103 HydrophobicContact CG-CZ2 4.2Å; R93-W103 HydrophobicContact CG-CZ3 3.56Å
104	S	85.3	Confident	76.8	Confident	6 Å²	6	72.3 Å²	72.3	4%	0.042	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-60.3	168.5	166.3	71.5	0	0	0	0	110.8	M92	M92-S104 PolarHBondContact N-OG 3.38Å; M92-S104 WeakPolarHBondContact O-CB 3.29Å; M92-S104 PolarHBondContact O-N 3.09Å; M92-S104 PolarHBondContact O-OG 3.15Å
105	D	84	Confident	75.1	Confident	62 Å²	62	74.7 Å²	74.7	33%	0.332	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-54.9	147.1	162.6	-75.2	-13.9	0	0	0	110
106	V	85.7	Confident	73.5	Confident	74 Å²	74	72.6 Å²	72.6	45%	0.448	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-77.3	131.2	179	179.8	0	0	0	0	108.8	W66 Y89 F90 R91	W66-V106 HydrophobicContact CH2-CG1 4.22Å; W66-V106 HydrophobicContact CH2-CG2 4.31Å; Y89-V106 HydrophobicContact CD1-CG1 3.6Å; Y89-V106 HydrophobicContact CG-CG1 4.07Å; F90-V106 CarbonylContact O-C 3.5Å; F90-V106 WeakPolarHBondContact O-CA 3.24Å; R91-V106 HydrophobicContact CB-CG2 4.5Å
107	V	83.7	Confident	72.7	Confident	12 Å²	12	69.6 Å²	69.6	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	172.5	-178.7	0	0	0	0	109.7	P17 P18 I20 Y89 F90 V109	P17-V107 HydrophobicContact CB-CG2 4.09Å; P18-V107 HydrophobicContact CG-CB 4.18Å; P18-V107 HydrophobicContact CG-CG1 4.49Å; P18-V107 HydrophobicContact CG-CG2 3.21Å; I20-V107 HydrophobicContact CD1-CG1 4.23Å; I20-V107 HydrophobicContact CG1-CG1 4.28Å; Y89-V107 CarbonylContact C-O 3.19Å; Y89-V107 VanDerWaalsContact CA-O 3.27Å; Y89-V107 WeakPolarHBondContact CA-O 3.24Å; F90-V107 PolarHBondContact N-O 2.83Å; F90-V107 PolarHBondContact O-N 3.26Å; V107-V109 HydrophobicContact CG1-CG2 3.78Å
108	H	84.1	Confident	72.8	Confident	91 Å²	91	63.4 Å²	63.4	42%	0.421	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.1	171.5	-179	85.1	0	0	0	108.8	P87 Y88 Y89	P87-H108 WeakPolarHBondContact CB-CE1 3.3Å; Y88-H108 WeakPolarHBondContact O-CA 3.33Å; Y89-H108 HydrophobicContact CD1-CB 4.18Å; Y89-H108 AromaticContact CD1-ND1 3.93Å; Y89-H108 HydrophobicContact CE1-CB 4.02Å; Y89-H108 AromaticContact CE1-ND1 3.27Å; Y89-H108 VanDerWaalsContact CE1-ND1 3.27Å; Y89-H108 WeakPolarHBondContact CE1-ND1 3.09Å; Y89-H108 AromaticContact CE2-ND1 3.93Å; Y89-H108 AromaticContact CZ-CE1 3.98Å; Y89-H108 AromaticContact CZ-ND1 3.31Å; Y89-H108 VanDerWaalsContact CZ-ND1 3.31Å; Y89-H108 PolarHBondContact OH-ND1 2.71Å
109	V	83.2	Confident	73.2	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.2	173.6	-172.5	0	0	0	0	107.5	I20 V23 V28 L30 Y88 F90 V107	I20-V109 HydrophobicContact CD1-CG2 3.85Å; I20-V109 HydrophobicContact CG1-CG2 4.19Å; V23-V109 HydrophobicContact CG1-CG1 4.19Å; V23-V109 HydrophobicContact CG2-CG1 3.52Å; V28-V109 HydrophobicContact CG1-CB 4.34Å; V28-V109 HydrophobicContact CG1-CG1 3.87Å; V28-V109 HydrophobicContact CG1-CG2 4.18Å; V28-V109 HydrophobicContact CG2-CG1 3.83Å; L30-V109 HydrophobicContact CD2-CG2 4.21Å; Y88-V109 PolarHBondContact N-O 2.87Å; Y88-V109 PolarHBondContact O-N 3.06Å; F90-V109 HydrophobicContact CD2-CB 4.31Å; F90-V109 HydrophobicContact CD2-CG2 3.95Å; F90-V109 HydrophobicContact CE2-CB 3.98Å; F90-V109 HydrophobicContact CE2-CG2 4.06Å; V107-V109 HydrophobicContact CG1-CG2 3.78Å
110	Q	80.8	Confident	73.5	Confident	102 Å²	102	56.4 Å²	56.4	48%	0.477	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.5	165.2	-172.3	170.2	3.2	0	0	106.4	V23 D85 D112	V23-Q110 WeakPolarHBondContact CG1-O 3.47Å; D85-Q110 PolarHBondContact OD1-NE2 3.13Å; Q110-D112 PolarHBondContact O-N 3.07Å
111	T	69.9	Low	73.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.8	138.6	168.4	53.1	0	0	0	0	108.1	V28 L82 E83 D85 T86 Y88	V28-T111 HydrophobicContact CG2-CG2 4.35Å; L82-T111 HydrophobicContact CB-CG2 3.77Å; L82-T111 HydrophobicContact CD1-CG2 4.2Å; E83-T111 PolarHBondContact O-OG1 3.36Å; D85-T111 PolarHBondContact N-OG1 2.91Å; T86-T111 PolarHBondContact N-OG1 2.98Å; Y88-T111 HydrophobicContact CD2-CG2 3.87Å; Y88-T111 HydrophobicContact CE2-CG2 3.89Å
112	D	61.4	Low	74.2	Confident	86 Å²	86	51.9 Å²	51.9	46%	0.46	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-53.1	148.4	168.4	-63.2	-36.7	0	0	0	109.4	V23 Q110 L114	V23-D112 VanDerWaalsContact C-OD2 3.32Å; Q110-D112 PolarHBondContact O-N 3.07Å; D112-L114 PolarHBondContact O-N 2.75Å
113	E	50.1	Low	74.3	Confident	129 Å²	129	47.4 Å²	47.4	60%	0.603	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-46.8	140.9	160.7	-73.3	-174.2	175.8	0	0	107.1
114	L	48.6	Very low	74.6	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.225	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-52.2	146.4	170.9	-65.3	124.1	0	0	0	107.4	Y25 P84 D112 V116	Y25-L114 HydrophobicContact CD2-CD2 3.64Å; Y25-L114 HydrophobicContact CE2-CD2 4.43Å; Y25-L114 HydrophobicContact CG-CD2 4.12Å; P84-L114 HydrophobicContact CB-CD1 3.58Å; P84-L114 HydrophobicContact CB-CG 3.86Å; P84-L114 HydrophobicContact CG-CD1 3.55Å; P84-L114 HydrophobicContact CG-CG 4.31Å; D112-L114 PolarHBondContact O-N 2.75Å; L114-V116 HydrophobicContact CB-CB 3.77Å; L114-V116 HydrophobicContact CB-CG1 4.34Å; L114-V116 HydrophobicContact CB-CG2 3.59Å; L114-V116 HydrophobicContact CD1-CB 4.15Å; L114-V116 HydrophobicContact CD1-CG1 3.77Å; L114-V116 HydrophobicContact CD1-CG2 4.08Å; L114-V116 HydrophobicContact CG-CG2 4.47Å; L114-V116 VanDerWaalsContact O-CG2 3.29Å; L114-V116 WeakPolarHBondContact O-CG2 3.29Å; L114-V116 PolarHBondContact O-N 2.73Å
115	P	49.5	Very low	75	Confident	57 Å²	57	45 Å²	45	37%	0.37	23%	0.234	S	C	.	.			trans	-59.1	73.9	132.5	-7.6	24.3	0	0	0	105.9	Y25 T117	Y25-P115 HydrophobicContact CD1-CG 3.86Å; Y25-P115 HydrophobicContact CE1-CG 4.38Å; P115-T117 PolarHBondContact O-N 2.85Å
116	V	49	Very low	75.4	Confident	44 Å²	44	45.6 Å²	45.6	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.8	-163.4	-166.7	0	0	0	0	111.4	L114 G118 E120	L114-V116 HydrophobicContact CB-CB 3.77Å; L114-V116 HydrophobicContact CB-CG1 4.34Å; L114-V116 HydrophobicContact CB-CG2 3.59Å; L114-V116 HydrophobicContact CD1-CB 4.15Å; L114-V116 HydrophobicContact CD1-CG1 3.77Å; L114-V116 HydrophobicContact CD1-CG2 4.08Å; L114-V116 HydrophobicContact CG-CG2 4.47Å; L114-V116 VanDerWaalsContact O-CG2 3.29Å; L114-V116 WeakPolarHBondContact O-CG2 3.29Å; L114-V116 PolarHBondContact O-N 2.73Å; V116-G118 PolarHBondContact O-N 3.46Å; V116-E120 HydrophobicContact CG1-CG 3.99Å; V116-E120 WeakPolarHBondContact CG1-OE2 3.11Å; V116-E120 VanDerWaalsContact O-CG 3.28Å; V116-E120 WeakPolarHBondContact O-CG 3.48Å
117	T	60.1	Low	75.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-76.4	-29.4	-163.8	54.3	0	0	0	0	112.8	P115 E120 I121 K139 Q141 A142 S143	P115-T117 PolarHBondContact O-N 2.85Å; T117-E120 PolarHBondContact O-N 2.97Å; T117-I121 WeakPolarHBondContact O-CA 3.47Å; T117-I121 WeakPolarHBondContact O-CB 3.16Å; T117-I121 VanDerWaalsContact O-CD1 3.31Å; T117-I121 WeakPolarHBondContact O-CD1 3.39Å; T117-I121 WeakPolarHBondContact O-CG1 3.49Å; T117-I121 PolarHBondContact O-N 3.41Å; T117-K139 HydrophobicContact CG2-CB 4.23Å; T117-K139 HydrophobicContact CG2-CD 4.12Å; T117-Q141 PolarHBondContact OG1-O 2.9Å; T117-A142 HydrophobicContact CG2-CB 4.26Å; T117-A142 WeakPolarHBondContact OG1-CA 3.28Å; T117-S143 PolarHBondContact OG1-N 2.94Å
118	G	72.2	Confident	76.1	Confident	3 Å²	3	49.9 Å²	49.9	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-56.7	-62.3	-177.4	0	0	0	0	0	112.4	V116 E120 I121 H122	V116-G118 PolarHBondContact O-N 3.46Å; G118-E120 PolarHBondContact O-N 3.47Å; G118-I121 PolarHBondContact O-N 2.94Å; G118-H122 PolarHBondContact O-N 3.28Å; G118-H122 PolarHBondContact O-ND1 2.84Å
119	H	79.4	Confident	76.6	Confident	134 Å²	134	48.7 Å²	48.7	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-43	177.7	-177.1	84.3	0	0	0	112.2	I121 H122 V123	H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.96Å; H119-H122 WeakPolarHBondContact O-CB 3.44Å; H119-H122 PolarHBondContact O-N 3.18Å; H119-V123 WeakPolarHBondContact NE2-CG2 2.97Å; H119-V123 WeakPolarHBondContact O-CG2 3.28Å; H119-V123 PolarHBondContact O-N 2.64Å
120	E	83.7	Confident	77.1	Confident	47 Å²	47	50.9 Å²	50.9	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-37.5	179.9	-70.1	-169.2	121.1	0	0	112.6	V116 T117 G118 V123 A124 R132 L136 K139	V116-E120 HydrophobicContact CG1-CG 3.99Å; V116-E120 WeakPolarHBondContact CG1-OE2 3.11Å; V116-E120 VanDerWaalsContact O-CG 3.28Å; V116-E120 WeakPolarHBondContact O-CG 3.48Å; T117-E120 PolarHBondContact O-N 2.97Å; G118-E120 PolarHBondContact O-N 3.47Å; E120-V123 PolarHBondContact O-N 3.1Å; E120-A124 WeakPolarHBondContact O-CB 3.49Å; E120-A124 PolarHBondContact O-N 3.38Å; E120-R132 IonicContact OE1-CZ 2.97Å; E120-R132 IonicContact OE1-NH2 2.91Å; E120-R132 PolarHBondContact OE1-NH2 3.19Å; E120-R132 IonicContact OE2-NH2 2.61Å; E120-L136 HydrophobicContact CB-CD1 3.6Å; E120-L136 HydrophobicContact CB-CD2 3.75Å; E120-L136 HydrophobicContact CB-CG 4.32Å; E120-L136 HydrophobicContact CG-CD2 4.36Å; E120-L136 WeakPolarHBondContact O-CD1 3.12Å; E120-L136 WeakPolarHBondContact OE2-CD2 3.31Å; E120-K139 IonicContact OE2-NZ 3.08Å
121	I	89.1	Confident	77.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-46.5	174.7	-72.9	164.9	0	0	0	108.9	T117 G118 H119 V123 A124 V125 L133 L136 L137 I144 A154 L170	T117-I121 WeakPolarHBondContact O-CA 3.47Å; T117-I121 WeakPolarHBondContact O-CB 3.16Å; T117-I121 VanDerWaalsContact O-CD1 3.31Å; T117-I121 WeakPolarHBondContact O-CD1 3.39Å; T117-I121 WeakPolarHBondContact O-CG1 3.49Å; T117-I121 PolarHBondContact O-N 3.41Å; G118-I121 PolarHBondContact O-N 2.94Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.96Å; I121-V123 VanDerWaalsContact C-N 3.31Å; I121-V123 PolarHBondContact O-N 3.31Å; I121-A124 PolarHBondContact O-N 3.08Å; I121-V125 HydrophobicContact CG2-CG2 4.43Å; I121-V125 WeakPolarHBondContact O-CB 3.44Å; I121-V125 VanDerWaalsContact O-CG2 3.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.41Å; I121-L133 HydrophobicContact CB-CD1 4.41Å; I121-L133 HydrophobicContact CG1-CD1 4.23Å; I121-L133 HydrophobicContact CG2-CD1 3.84Å; I121-L136 HydrophobicContact CG1-CB 4.14Å; I121-L136 HydrophobicContact CG1-CD1 4.33Å; I121-L137 HydrophobicContact CD1-CD2 3.98Å; I121-I144 HydrophobicContact CD1-CG1 4.33Å; I121-A154 HydrophobicContact CG2-CB 3.55Å; I121-L170 HydrophobicContact CG2-CD2 4.06Å
122	H	87.8	Confident	78.8	Confident	5 Å²	5	55.6 Å²	55.6	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-43.9	174.9	-69.1	93.6	0	0	0	112	G118 H119 V125 K126 A146 F152 T153 A154 Y157	G118-H122 PolarHBondContact O-N 3.28Å; G118-H122 PolarHBondContact O-ND1 2.84Å; H119-H122 WeakPolarHBondContact O-CB 3.44Å; H119-H122 PolarHBondContact O-N 3.18Å; H122-V125 PolarHBondContact O-N 3.38Å; H122-K126 VanDerWaalsContact O-CB 3.25Å; H122-K126 WeakPolarHBondContact O-CB 3.4Å; H122-K126 WeakPolarHBondContact O-CG 3.36Å; H122-K126 PolarHBondContact O-N 3.05Å; H122-A146 PolarHBondContact CE1-O 3Å; H122-A146 PolarHBondContact NE2-O 3.02Å; H122-F152 PolarHBondContact NE2-O 3.48Å; H122-T153 VanDerWaalsContact NE2-C 3.35Å; H122-A154 PolarHBondContact NE2-N 3.21Å; H122-A154 VanDerWaalsContact NE2-N 3.16Å; H122-Y157 AromaticContact CD2-CD2 3.87Å; H122-Y157 AromaticContact CD2-CE2 3.84Å
123	V	86.8	Confident	80.4	Confident	48 Å²	48	51.5 Å²	51.5	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-47.7	178.4	172.3	0	0	0	0	110.5	H119 E120 I121 V125 K126 Q127	H119-V123 WeakPolarHBondContact NE2-CG2 2.97Å; H119-V123 WeakPolarHBondContact O-CG2 3.28Å; H119-V123 PolarHBondContact O-N 2.64Å; E120-V123 PolarHBondContact O-N 3.1Å; I121-V123 VanDerWaalsContact C-N 3.31Å; I121-V123 PolarHBondContact O-N 3.31Å; V123-V125 PolarHBondContact O-N 3.38Å; V123-K126 PolarHBondContact O-N 3.49Å; V123-Q127 HydrophobicContact CG1-CG 4.39Å; V123-Q127 WeakPolarHBondContact O-CB 3.41Å; V123-Q127 VanDerWaalsContact O-CG 3.29Å; V123-Q127 WeakPolarHBondContact O-CG 3.44Å; V123-Q127 PolarHBondContact O-N 2.84Å
124	A	92.3	Very high	82.4	Confident	2 Å²	2	51 Å²	51	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-45.6	178.5	0	0	0	0	0	111.5	E120 I121 Q127 G128 N129 R132 L133 L136	E120-A124 WeakPolarHBondContact O-CB 3.49Å; E120-A124 PolarHBondContact O-N 3.38Å; I121-A124 PolarHBondContact O-N 3.08Å; A124-Q127 PolarHBondContact O-N 3.18Å; A124-G128 PolarHBondContact O-N 3.3Å; A124-N129 PolarHBondContact O-N 2.93Å; A124-R132 HydrophobicContact CB-CB 4.36Å; A124-R132 HydrophobicContact CB-CG 4.18Å; A124-L133 HydrophobicContact CB-CB 4.11Å; A124-L136 HydrophobicContact CB-CD1 4.07Å
125	V	94.4	Very high	84.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-46.2	175.6	170.6	0	0	0	0	111.5	I121 H122 V123 Q127 G128 L133 A154 C158 L163 I166 L170	I121-V125 HydrophobicContact CG2-CG2 4.43Å; I121-V125 WeakPolarHBondContact O-CB 3.44Å; I121-V125 VanDerWaalsContact O-CG2 3.31Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.41Å; H122-V125 PolarHBondContact O-N 3.38Å; V123-V125 PolarHBondContact O-N 3.38Å; V125-Q127 PolarHBondContact O-N 3.39Å; V125-G128 PolarHBondContact O-N 2.72Å; V125-G128 VanDerWaalsContact O-N 3.08Å; V125-L133 HydrophobicContact CG2-CD1 4.35Å; V125-L133 HydrophobicContact CG2-CD2 4.18Å; V125-A154 HydrophobicContact CG2-CB 4.13Å; V125-C158 VanDerWaalsContact CG1-SG 3.5Å; V125-L163 HydrophobicContact CG1-CD1 4.38Å; V125-I166 HydrophobicContact CB-CG2 4.4Å; V125-I166 HydrophobicContact CG1-CG2 4.25Å; V125-I166 HydrophobicContact CG2-CG2 3.77Å; V125-L170 HydrophobicContact CG2-CD1 4.14Å
126	K	90.7	Very high	86.2	Confident	74 Å²	74	50.7 Å²	50.7	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-33.5	-179.3	-76.2	169.2	-177.6	175	0	111.9	H122 V123 D148 Y157 R161	H122-K126 VanDerWaalsContact O-CB 3.25Å; H122-K126 WeakPolarHBondContact O-CB 3.4Å; H122-K126 WeakPolarHBondContact O-CG 3.36Å; H122-K126 PolarHBondContact O-N 3.05Å; V123-K126 PolarHBondContact O-N 3.49Å; K126-D148 IonicContact NZ-OD2 2.68Å; K126-D148 PolarHBondContact NZ-OD2 2.96Å; K126-D148 VanDerWaalsContact NZ-OD2 3.1Å; K126-Y157 VanDerWaalsContact CE-CE1 3.46Å; K126-Y157 WeakPolarHBondContact CE-OH 3.36Å; K126-Y157 HydrophobicContact CG-CD1 4.45Å; K126-Y157 PolarHBondContact NZ-OH 3.47Å; K126-Y157 VanDerWaalsContact NZ-OH 3.11Å; K126-R161 VanDerWaalsContact CA-NH1 3.32Å; K126-R161 PolarHBondContact O-NH1 3.41Å; K126-R161 PolarHBondContact O-NH2 2.98Å
127	Q	92.3	Very high	88.1	Confident	139 Å²	139	50.2 Å²	50.2	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-86.1	-12.2	177.2	-68	175.3	-1.5	0	0	113.7	V123 A124 V125 N129	V123-Q127 HydrophobicContact CG1-CG 4.39Å; V123-Q127 WeakPolarHBondContact O-CB 3.41Å; V123-Q127 VanDerWaalsContact O-CG 3.29Å; V123-Q127 WeakPolarHBondContact O-CG 3.44Å; V123-Q127 PolarHBondContact O-N 2.84Å; A124-Q127 PolarHBondContact O-N 3.18Å; V125-Q127 PolarHBondContact O-N 3.39Å; Q127-N129 VanDerWaalsContact C-N 3.28Å; Q127-N129 HydrophobicContact CB-CB 4.45Å
128	G	93	Very high	89.4	Confident	36 Å²	36	58 Å²	58	37%	0.371	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	20.8	-173.3	0	0	0	0	0	114	A124 V125 V130	A124-G128 PolarHBondContact O-N 3.3Å; V125-G128 PolarHBondContact O-N 2.72Å; V125-G128 VanDerWaalsContact O-N 3.08Å; G128-V130 PolarHBondContact O-N 3.38Å; G128-V130 VanDerWaalsContact O-N 3.08Å
129	N	93.8	Very high	89.7	Confident	66 Å²	66	61.5 Å²	61.5	35%	0.353	30%	0.298	S	S	.	.			trans	-83.7	84.3	-176.6	-170.1	-16.4	0	0	0	111	A124 Q127 I131 R132 L133	A124-N129 PolarHBondContact O-N 2.93Å; Q127-N129 VanDerWaalsContact C-N 3.28Å; Q127-N129 HydrophobicContact CB-CB 4.45Å; N129-I131 VanDerWaalsContact C-N 3.34Å; N129-I131 PolarHBondContact O-N 2.99Å; N129-I131 PolarHBondContact OD1-N 3.48Å; N129-R132 HydrophobicContact CB-CB 4.05Å; N129-R132 WeakPolarHBondContact ND2-CB 3.2Å; N129-R132 PolarHBondContact O-N 3.21Å; N129-R132 WeakPolarHBondContact OD1-CB 3.13Å; N129-R132 PolarHBondContact OD1-N 3Å; N129-L133 PolarHBondContact O-N 3.1Å
130	V	95.2	Very high	89	Confident	50 Å²	50	64.1 Å²	64.1	30%	0.303	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-40.5	-179.2	170.4	0	0	0	0	112.8	G128 L133 R134 I166 I169	G128-V130 PolarHBondContact O-N 3.38Å; G128-V130 VanDerWaalsContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 3.16Å; V130-R134 WeakPolarHBondContact O-CG 3.4Å; V130-R134 PolarHBondContact O-N 2.73Å; V130-I166 HydrophobicContact CG2-CD1 4.41Å; V130-I166 HydrophobicContact CG2-CG1 3.99Å; V130-I169 HydrophobicContact CG1-CD1 3.55Å; V130-I169 HydrophobicContact CG2-CD1 4.39Å
131	I	94	Very high	88.1	Confident	121 Å²	121	66.8 Å²	66.8	62%	0.621	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-50.8	-179.3	-61.7	172.3	0	0	0	109.1	N129 L133 R134 E135	N129-I131 VanDerWaalsContact C-N 3.34Å; N129-I131 PolarHBondContact O-N 2.99Å; N129-I131 PolarHBondContact OD1-N 3.48Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 PolarHBondContact O-N 2.69Å; I131-R134 PolarHBondContact O-N 3.04Å; I131-E135 WeakPolarHBondContact O-CG 3.44Å; I131-E135 PolarHBondContact O-N 3.18Å; I131-E135 VanDerWaalsContact O-N 3.08Å
132	R	91.7	Very high	87.2	Confident	82 Å²	82	68.2 Å²	68.2	31%	0.309	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-40.2	177.1	-177.1	57.1	175.6	175.8	-0.8	111.8	E120 A124 N129 R134 E135 L136	E120-R132 IonicContact OE1-CZ 2.97Å; E120-R132 IonicContact OE1-NH2 2.91Å; E120-R132 PolarHBondContact OE1-NH2 3.19Å; E120-R132 IonicContact OE2-NH2 2.61Å; A124-R132 HydrophobicContact CB-CB 4.36Å; A124-R132 HydrophobicContact CB-CG 4.18Å; N129-R132 HydrophobicContact CB-CB 4.05Å; N129-R132 WeakPolarHBondContact ND2-CB 3.2Å; N129-R132 PolarHBondContact O-N 3.21Å; N129-R132 WeakPolarHBondContact OD1-CB 3.13Å; N129-R132 PolarHBondContact OD1-N 3Å; R132-R134 PolarHBondContact O-N 3.03Å; R132-E135 IonicContact NH1-OE2 3.54Å; R132-E135 PolarHBondContact NH1-OE2 3.15Å; R132-E135 PolarHBondContact O-N 2.52Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 HydrophobicContact CG-CG 4.35Å; R132-L136 WeakPolarHBondContact O-CD1 3.49Å; R132-L136 WeakPolarHBondContact O-CG 3.19Å; R132-L136 PolarHBondContact O-N 3.17Å
133	L	93.9	Very high	87	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.9	177.8	60.4	0	0	0	111.5	I121 A124 V125 N129 V130 I131 L136 L137 I166 I169 L170	I121-L133 HydrophobicContact CB-CD1 4.41Å; I121-L133 HydrophobicContact CG1-CD1 4.23Å; I121-L133 HydrophobicContact CG2-CD1 3.84Å; A124-L133 HydrophobicContact CB-CB 4.11Å; V125-L133 HydrophobicContact CG2-CD1 4.35Å; V125-L133 HydrophobicContact CG2-CD2 4.18Å; N129-L133 PolarHBondContact O-N 3.1Å; V130-L133 PolarHBondContact O-N 3.16Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 PolarHBondContact O-N 2.69Å; L133-L136 PolarHBondContact O-N 3.18Å; L133-L137 HydrophobicContact CD1-CD1 3.94Å; L133-L137 HydrophobicContact CD1-CD2 4.49Å; L133-L137 HydrophobicContact CD1-CG 4.06Å; L133-L137 HydrophobicContact CG-CD1 3.88Å; L133-L137 HydrophobicContact CG-CG 4.41Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-I166 HydrophobicContact CD2-CG2 3.62Å; L133-I169 HydrophobicContact CD2-CB 4.31Å; L133-I169 HydrophobicContact CD2-CG2 3.96Å; L133-I169 HydrophobicContact CG-CG2 4.23Å; L133-L170 HydrophobicContact CD1-CD2 3.94Å; L133-L170 HydrophobicContact CD2-CD2 4.22Å; L133-L170 HydrophobicContact CD2-CG 4.35Å
134	R	93.3	Very high	86.9	Confident	118 Å²	118	69.1 Å²	69.1	45%	0.445	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-45.5	178.7	-69.8	-176.8	-174.5	-77.2	3.5	112	V130 I131 R132 L136 L137 E138 I169	V130-R134 WeakPolarHBondContact O-CG 3.4Å; V130-R134 PolarHBondContact O-N 2.73Å; I131-R134 PolarHBondContact O-N 3.04Å; R132-R134 PolarHBondContact O-N 3.03Å; R134-L136 PolarHBondContact O-N 3.26Å; R134-L137 PolarHBondContact O-N 3.03Å; R134-L137 VanDerWaalsContact O-N 3.17Å; R134-E138 WeakPolarHBondContact O-CG 3.44Å; R134-E138 PolarHBondContact O-N 3.11Å; R134-E138 VanDerWaalsContact O-N 3.15Å; R134-I169 HydrophobicContact CG-CG2 4.29Å
135	E	90.4	Very high	86.5	Confident	93 Å²	93	71.9 Å²	71.9	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-36.8	174.8	-69	173.2	-179.5	0	0	112.8	I131 R132	I131-E135 WeakPolarHBondContact O-CG 3.44Å; I131-E135 PolarHBondContact O-N 3.18Å; I131-E135 VanDerWaalsContact O-N 3.08Å; R132-E135 IonicContact NH1-OE2 3.54Å; R132-E135 PolarHBondContact NH1-OE2 3.15Å; R132-E135 PolarHBondContact O-N 2.52Å
136	L	88.4	Confident	86	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-73.2	-36.1	179.5	-69.2	168.9	0	0	0	112.6	E120 I121 A124 R132 L133 R134 E138 K139	E120-L136 HydrophobicContact CB-CD1 3.6Å; E120-L136 HydrophobicContact CB-CD2 3.75Å; E120-L136 HydrophobicContact CB-CG 4.32Å; E120-L136 HydrophobicContact CG-CD2 4.36Å; E120-L136 WeakPolarHBondContact O-CD1 3.12Å; E120-L136 WeakPolarHBondContact OE2-CD2 3.31Å; I121-L136 HydrophobicContact CG1-CB 4.14Å; I121-L136 HydrophobicContact CG1-CD1 4.33Å; A124-L136 HydrophobicContact CB-CD1 4.07Å; R132-L136 HydrophobicContact CG-CD1 3.96Å; R132-L136 HydrophobicContact CG-CG 4.35Å; R132-L136 WeakPolarHBondContact O-CD1 3.49Å; R132-L136 WeakPolarHBondContact O-CG 3.19Å; R132-L136 PolarHBondContact O-N 3.17Å; L133-L136 PolarHBondContact O-N 3.18Å; R134-L136 PolarHBondContact O-N 3.26Å; L136-E138 VanDerWaalsContact C-N 3.32Å; L136-K139 WeakPolarHBondContact O-CB 3Å; L136-K139 PolarHBondContact O-N 2.84Å
137	L	88.2	Confident	85.6	Confident	34 Å²	34	73.1 Å²	73.1	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-74.5	-21.7	179.9	-66.4	172.4	0	0	0	112.9	I121 L133 R134 K139 I144 I169 L170 A173	I121-L137 HydrophobicContact CD1-CD2 3.98Å; L133-L137 HydrophobicContact CD1-CD1 3.94Å; L133-L137 HydrophobicContact CD1-CD2 4.49Å; L133-L137 HydrophobicContact CD1-CG 4.06Å; L133-L137 HydrophobicContact CG-CD1 3.88Å; L133-L137 HydrophobicContact CG-CG 4.41Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.39Å; R134-L137 PolarHBondContact O-N 3.03Å; R134-L137 VanDerWaalsContact O-N 3.17Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.25Å; L137-I144 HydrophobicContact CD2-CD1 3.68Å; L137-I144 HydrophobicContact CD2-CG1 3.58Å; L137-I169 HydrophobicContact CD1-CG2 3.58Å; L137-L170 HydrophobicContact CD1-CD2 4.48Å; L137-A173 HydrophobicContact CD1-CB 4Å; L137-A173 HydrophobicContact CD2-CB 4.16Å
138	E	86.3	Confident	84.9	Confident	164 Å²	164	67.9 Å²	67.9	77%	0.766	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.8	173.4	-73.1	174.4	-174.4	0	0	113.3	R134 L136	R134-E138 WeakPolarHBondContact O-CG 3.44Å; R134-E138 PolarHBondContact O-N 3.11Å; R134-E138 VanDerWaalsContact O-N 3.15Å; L136-E138 VanDerWaalsContact C-N 3.32Å
139	K	80.3	Confident	84.1	Confident	78 Å²	78	75.8 Å²	75.8	34%	0.339	37%	0.37	S	S	.	.	S	Bend	trans	-77.5	133	177.7	-60.3	179.2	-179.6	-179.4	0	110.3	T117 E120 L136 L137 Q141 A142	T117-K139 HydrophobicContact CG2-CB 4.23Å; T117-K139 HydrophobicContact CG2-CD 4.12Å; E120-K139 IonicContact OE2-NZ 3.08Å; L136-K139 WeakPolarHBondContact O-CB 3Å; L136-K139 PolarHBondContact O-N 2.84Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.25Å; K139-Q141 PolarHBondContact O-N 3.44Å; K139-Q141 VanDerWaalsContact O-N 3.1Å; K139-A142 WeakPolarHBondContact O-CB 3.48Å; K139-A142 PolarHBondContact O-N 2.94Å
140	E	63.7	Low	83.2	Confident	188 Å²	188	78.1 Å²	78.1	88%	0.879	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30	178.8	-69.1	-175	167.1	0	0	113.1	A142	E140-A142 PolarHBondContact O-N 3.48Å
141	Q	65	Low	82.6	Confident	103 Å²	103	76.2 Å²	76.2	48%	0.481	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	18	179.3	-57.1	76.4	12.7	0	0	113	T117 K139 S143	T117-Q141 PolarHBondContact OG1-O 2.9Å; K139-Q141 PolarHBondContact O-N 3.44Å; K139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-S143 PolarHBondContact O-N 3.29Å
142	A	70.9	Confident	82.4	Confident	30 Å²	30	72.3 Å²	72.3	25%	0.248	35%	0.351	C	S	.	.			trans	-61.8	107.1	175.7	0	0	0	0	0	113.2	T117 K139 E140 I144	T117-A142 HydrophobicContact CG2-CB 4.26Å; T117-A142 WeakPolarHBondContact OG1-CA 3.28Å; K139-A142 WeakPolarHBondContact O-CB 3.48Å; K139-A142 PolarHBondContact O-N 2.94Å; E140-A142 PolarHBondContact O-N 3.48Å; A142-I144 HydrophobicContact CB-CG1 4.45Å; A142-I144 PolarHBondContact O-N 3.37Å
143	S	82.1	Confident	82.3	Confident	46 Å²	46	68.5 Å²	68.5	32%	0.322	34%	0.336	S	S	.	.			trans	-97.6	76.4	174.6	-170	0	0	0	0	108.8	T117 Q141 E145 A146	T117-S143 PolarHBondContact OG1-N 2.94Å; Q141-S143 PolarHBondContact O-N 3.29Å; S143-E145 PolarHBondContact O-N 3.3Å; S143-A146 WeakPolarHBondContact O-CB 3.47Å; S143-A146 PolarHBondContact O-N 3.08Å
144	I	84.3	Confident	82.3	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.138	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.2	179.9	-58.6	175.7	0	0	0	111.1	I121 L137 A142 A146 L170 A173 A175	I121-I144 HydrophobicContact CD1-CG1 4.33Å; L137-I144 HydrophobicContact CD2-CD1 3.68Å; L137-I144 HydrophobicContact CD2-CG1 3.58Å; A142-I144 HydrophobicContact CB-CG1 4.45Å; A142-I144 PolarHBondContact O-N 3.37Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.21Å; I144-L170 HydrophobicContact CG2-CD2 4.42Å; I144-A173 HydrophobicContact CD1-CB 3.69Å; I144-A173 WeakPolarHBondContact CD1-O 3.37Å; I144-A175 HydrophobicContact CG2-CB 3.56Å
145	E	85.1	Confident	82.5	Confident	60 Å²	60	63 Å²	63	28%	0.28	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	10.1	-179.2	-60	-49.9	127.9	0	0	114.6	S143 L147 A175 N176 T179	S143-E145 PolarHBondContact O-N 3.3Å; E145-L147 PolarHBondContact O-N 3.39Å; E145-A175 VanDerWaalsContact OE1-CA 3.28Å; E145-A175 WeakPolarHBondContact OE1-CA 3.17Å; E145-N176 HydrophobicContact CG-CB 4.42Å; E145-N176 PolarHBondContact OE1-N 3.41Å; E145-T179 VanDerWaalsContact OE2-CB 3.26Å; E145-T179 WeakPolarHBondContact OE2-CB 3.25Å; E145-T179 PolarHBondContact OE2-OG1 3.48Å
146	A	83.5	Confident	82.8	Confident	14 Å²	14	58.5 Å²	58.5	12%	0.116	30%	0.295	C	S	.	.			trans	-57	139.4	174.6	0	0	0	0	0	110.3	H122 S143 I144	H122-A146 PolarHBondContact CE1-O 3Å; H122-A146 PolarHBondContact NE2-O 3.02Å; S143-A146 WeakPolarHBondContact O-CB 3.47Å; S143-A146 PolarHBondContact O-N 3.08Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.21Å
147	L	82.6	Confident	83.2	Confident	86 Å²	86	59.6 Å²	59.6	45%	0.45	30%	0.299	S	S	.	.			trans	-97.9	136.2	171.1	-62.6	175.7	0	0	0	108.9	E145 F152 T153 T179	E145-L147 PolarHBondContact O-N 3.39Å; L147-F152 WeakPolarHBondContact CA-O 3.29Å; L147-T153 HydrophobicContact CD2-CG2 3.54Å; L147-T179 HydrophobicContact CD2-CG2 4.26Å
148	D	77.6	Confident	83.7	Confident	28 Å²	28	58 Å²	58	15%	0.15	29%	0.291	C	S	.	.			trans	-76.6	-179.9	169.6	78.2	0.2	0	0	0	112.5	K126 L150 G151 F152 Y157	K126-D148 IonicContact NZ-OD2 2.68Å; K126-D148 PolarHBondContact NZ-OD2 2.96Å; K126-D148 VanDerWaalsContact NZ-OD2 3.1Å; D148-L150 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact O-N 3.08Å; D148-L150 WeakPolarHBondContact OD1-CA 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.45Å; D148-L150 PolarHBondContact OD1-N 3.41Å; D148-G151 WeakPolarHBondContact O-CA 3.45Å; D148-G151 PolarHBondContact O-N 3.08Å; D148-G151 PolarHBondContact OD1-N 2.86Å; D148-F152 PolarHBondContact N-O 3.05Å; D148-F152 PolarHBondContact OD1-N 3.08Å; D148-Y157 WeakPolarHBondContact OD2-CE2 3.37Å; D148-Y157 VanDerWaalsContact OD2-CZ 3.24Å; D148-Y157 PolarHBondContact OD2-OH 3.29Å
149	E	76.4	Confident	84.3	Confident	202 Å²	202	50.2 Å²	50.2	94%	0.944	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.9	-179.4	-62.1	178	178	0	0	113.9	G151	E149-G151 VanDerWaalsContact C-N 3.34Å
150	L	75.2	Confident	85	Confident	115 Å²	115	49.8 Å²	49.8	60%	0.602	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.3	176.5	-58.6	177.2	0	0	0	111.8	D148 F152	D148-L150 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact O-N 3.08Å; D148-L150 WeakPolarHBondContact OD1-CA 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.45Å; D148-L150 PolarHBondContact OD1-N 3.41Å; L150-F152 HydrophobicContact CB-CD2 3.49Å; L150-F152 VanDerWaalsContact CB-CD2 3.49Å; L150-F152 HydrophobicContact CB-CE2 3.75Å; L150-F152 WeakPolarHBondContact O-CD2 3.3Å; L150-F152 WeakPolarHBondContact O-CE2 3.48Å
151	G	81.9	Confident	86.6	Confident	10 Å²	10	46.8 Å²	46.8	10%	0.103	23%	0.234	C	C	.	.	S	Bend	trans	79.1	33.5	-177.1	0	0	0	0	0	113.1	D148 E149 S181	D148-G151 WeakPolarHBondContact O-CA 3.45Å; D148-G151 PolarHBondContact O-N 3.08Å; D148-G151 PolarHBondContact OD1-N 2.86Å; E149-G151 VanDerWaalsContact C-N 3.34Å; G151-S181 WeakPolarHBondContact O-CA 3.46Å; G151-S181 VanDerWaalsContact O-CB 3.3Å; G151-S181 WeakPolarHBondContact O-CB 3.29Å
152	F	88.7	Confident	88.2	Confident	39 Å²	39	45 Å²	45	17%	0.171	23%	0.228	C	C	.	.			trans	-110	142	178.7	-71.3	-109.1	0	0	0	111	H122 L147 D148 L150 M156 Y157 F190	H122-F152 PolarHBondContact NE2-O 3.48Å; L147-F152 WeakPolarHBondContact CA-O 3.29Å; D148-F152 PolarHBondContact N-O 3.05Å; D148-F152 PolarHBondContact OD1-N 3.08Å; L150-F152 HydrophobicContact CB-CD2 3.49Å; L150-F152 VanDerWaalsContact CB-CD2 3.49Å; L150-F152 HydrophobicContact CB-CE2 3.75Å; L150-F152 WeakPolarHBondContact O-CD2 3.3Å; L150-F152 WeakPolarHBondContact O-CE2 3.48Å; F152-M156 HydrophobicContact CB-CB 4.48Å; F152-M156 HydrophobicContact CB-SD 4.29Å; F152-M156 HydrophobicContact CD1-CB 3.97Å; F152-M156 HydrophobicContact CD1-SD 4.21Å; F152-M156 HydrophobicContact CG-SD 4.46Å; F152-Y157 HydrophobicContact CB-CD2 4.16Å; F152-Y157 HydrophobicContact CB-CE2 3.57Å; F152-Y157 HydrophobicContact CG-CE2 4.38Å; F152-F190 HydrophobicContact CD1-CE1 4.29Å; F152-F190 HydrophobicContact CD1-CZ 4.08Å; F152-F190 HydrophobicContact CE1-CD1 4.03Å; F152-F190 AromaticContact CE1-CE1 3.32Å; F152-F190 HydrophobicContact CE1-CE1 3.32Å; F152-F190 HydrophobicContact CE1-CE2 4.24Å; F152-F190 AromaticContact CE1-CZ 3.43Å; F152-F190 HydrophobicContact CE1-CZ 3.43Å; F152-F190 VanDerWaalsContact CE1-CZ 3.43Å; F152-F190 AromaticContact CZ-CE1 3.86Å; F152-F190 HydrophobicContact CZ-CE1 3.86Å; F152-F190 AromaticContact CZ-CZ 4Å; F152-F190 HydrophobicContact CZ-CZ 4Å
153	T	91.4	Very high	89.5	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.226	C	C	.	.			trans	-84.6	164.1	165.2	65.9	0	0	0	0	111.1	H122 L147 L155 M156 Y157 T179	H122-T153 VanDerWaalsContact NE2-C 3.35Å; L147-T153 HydrophobicContact CD2-CG2 3.54Å; T153-L155 PolarHBondContact O-N 3.27Å; T153-L155 PolarHBondContact OG1-N 2.95Å; T153-M156 HydrophobicContact CG2-CE 4.12Å; T153-M156 PolarHBondContact N-SD 2.76Å; T153-M156 WeakPolarHBondContact O-CB 2.94Å; T153-M156 PolarHBondContact O-N 3.09Å; T153-M156 VanDerWaalsContact O-N 3.17Å; T153-M156 WeakPolarHBondContact OG1-CG 3.26Å; T153-M156 PolarHBondContact OG1-N 3.15Å; T153-Y157 WeakPolarHBondContact O-CD2 3.21Å; T153-Y157 PolarHBondContact O-N 3.43Å; T153-T179 HydrophobicContact CG2-CG2 3.47Å; T153-T179 VanDerWaalsContact CG2-CG2 3.47Å
154	A	93.7	Very high	90.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-55.2	-39.7	170.7	0	0	0	0	0	112.5	I121 H122 V125 M156 Y157 C158 L170	I121-A154 HydrophobicContact CG2-CB 3.55Å; H122-A154 PolarHBondContact NE2-N 3.21Å; H122-A154 VanDerWaalsContact NE2-N 3.16Å; V125-A154 HydrophobicContact CG2-CB 4.13Å; A154-M156 PolarHBondContact O-N 2.86Å; A154-Y157 WeakPolarHBondContact O-CB 3.08Å; A154-Y157 PolarHBondContact O-N 3.47Å; A154-C158 PolarHBondContact O-N 3.32Å; A154-C158 VanDerWaalsContact O-N 3.16Å; A154-C158 PolarHBondContact O-SG 2.76Å; A154-L170 HydrophobicContact CB-CD1 3.88Å; A154-L170 HydrophobicContact CB-CD2 4.42Å
155	L	96.7	Very high	90.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-39	178.1	-170.2	66.8	0	0	0	112.2	T153 Y157 C158 A159 M167 L170 L171 A175 T177 A187 L203	T153-L155 PolarHBondContact O-N 3.27Å; T153-L155 PolarHBondContact OG1-N 2.95Å; L155-Y157 VanDerWaalsContact C-N 3.33Å; L155-Y157 PolarHBondContact O-N 3.25Å; L155-C158 WeakPolarHBondContact O-CB 3.49Å; L155-C158 PolarHBondContact O-N 3.28Å; L155-A159 PolarHBondContact O-N 2.93Å; L155-M167 HydrophobicContact CD1-CE 4.12Å; L155-M167 HydrophobicContact CD1-CG 3.75Å; L155-L170 HydrophobicContact CD1-CB 4.3Å; L155-L170 HydrophobicContact CD1-CD1 4.48Å; L155-L171 HydrophobicContact CD1-CD2 3.89Å; L155-L171 HydrophobicContact CD1-CG 3.95Å; L155-L171 HydrophobicContact CD2-CD2 3.98Å; L155-A175 HydrophobicContact CD2-CB 4.25Å; L155-T177 HydrophobicContact CD2-CG2 4.49Å; L155-A187 HydrophobicContact CD2-CB 4.12Å; L155-A187 HydrophobicContact CG-CB 4.04Å; L155-L203 HydrophobicContact CD1-CD2 4.31Å; L155-L203 HydrophobicContact CD2-CD2 3.9Å; L155-L203 HydrophobicContact CG-CD2 4.15Å
156	M	97.2	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-36.5	175.2	-66	170.2	-168.2	0	0	112.3	F152 T153 A154 A159 Q160 T179 A187 F190	F152-M156 HydrophobicContact CB-CB 4.48Å; F152-M156 HydrophobicContact CB-SD 4.29Å; F152-M156 HydrophobicContact CD1-CB 3.97Å; F152-M156 HydrophobicContact CD1-SD 4.21Å; F152-M156 HydrophobicContact CG-SD 4.46Å; T153-M156 HydrophobicContact CG2-CE 4.12Å; T153-M156 PolarHBondContact N-SD 2.76Å; T153-M156 WeakPolarHBondContact O-CB 2.94Å; T153-M156 PolarHBondContact O-N 3.09Å; T153-M156 VanDerWaalsContact O-N 3.17Å; T153-M156 WeakPolarHBondContact OG1-CG 3.26Å; T153-M156 PolarHBondContact OG1-N 3.15Å; A154-M156 PolarHBondContact O-N 2.86Å; M156-A159 PolarHBondContact O-N 2.86Å; M156-Q160 WeakPolarHBondContact O-CB 3.44Å; M156-Q160 PolarHBondContact O-N 2.54Å; M156-T179 WeakPolarHBondContact CE-O 3.28Å; M156-A187 HydrophobicContact CG-CB 4.37Å; M156-F190 HydrophobicContact CB-CD2 4.05Å; M156-F190 HydrophobicContact CB-CE2 4.2Å; M156-F190 HydrophobicContact CG-CD2 3.94Å; M156-F190 HydrophobicContact CG-CE2 3.87Å; M156-F190 HydrophobicContact SD-CD2 4.44Å; M156-F190 HydrophobicContact SD-CE2 3.77Å; M156-F190 HydrophobicContact SD-CZ 4.48Å
157	Y	96.5	Very high	92.2	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.09	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42.3	173.6	-81.6	-71.2	0	0	0	112.1	H122 K126 D148 F152 T153 A154 L155 A159 Q160 R161	H122-Y157 AromaticContact CD2-CD2 3.87Å; H122-Y157 AromaticContact CD2-CE2 3.84Å; K126-Y157 VanDerWaalsContact CE-CE1 3.46Å; K126-Y157 WeakPolarHBondContact CE-OH 3.36Å; K126-Y157 HydrophobicContact CG-CD1 4.45Å; K126-Y157 PolarHBondContact NZ-OH 3.47Å; K126-Y157 VanDerWaalsContact NZ-OH 3.11Å; D148-Y157 WeakPolarHBondContact OD2-CE2 3.37Å; D148-Y157 VanDerWaalsContact OD2-CZ 3.24Å; D148-Y157 PolarHBondContact OD2-OH 3.29Å; F152-Y157 HydrophobicContact CB-CD2 4.16Å; F152-Y157 HydrophobicContact CB-CE2 3.57Å; F152-Y157 HydrophobicContact CG-CE2 4.38Å; T153-Y157 WeakPolarHBondContact O-CD2 3.21Å; T153-Y157 PolarHBondContact O-N 3.43Å; A154-Y157 WeakPolarHBondContact O-CB 3.08Å; A154-Y157 PolarHBondContact O-N 3.47Å; L155-Y157 VanDerWaalsContact C-N 3.33Å; L155-Y157 PolarHBondContact O-N 3.25Å; Y157-A159 VanDerWaalsContact C-N 3.33Å; Y157-Q160 PolarHBondContact O-N 3.17Å; Y157-R161 VanDerWaalsContact O-CB 3.3Å; Y157-R161 WeakPolarHBondContact O-CB 3.39Å; Y157-R161 WeakPolarHBondContact O-CG 3.49Å; Y157-R161 PolarHBondContact O-N 3.46Å
158	C	98	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-46.4	174.2	-62.7	0	0	0	0	111.3	V125 A154 L155 Q160 R161 N162 L163 I166 M167	V125-C158 VanDerWaalsContact CG1-SG 3.5Å; A154-C158 PolarHBondContact O-N 3.32Å; A154-C158 VanDerWaalsContact O-N 3.16Å; A154-C158 PolarHBondContact O-SG 2.76Å; L155-C158 WeakPolarHBondContact O-CB 3.49Å; L155-C158 PolarHBondContact O-N 3.28Å; C158-Q160 PolarHBondContact O-N 3.16Å; C158-R161 PolarHBondContact O-N 3.24Å; C158-N162 PolarHBondContact O-N 3.2Å; C158-L163 HydrophobicContact CB-CB 4.14Å; C158-L163 PolarHBondContact O-N 3.45Å; C158-L163 VanDerWaalsContact O-N 3.08Å; C158-I166 VanDerWaalsContact SG-CG2 3.6Å; C158-M167 HydrophobicContact CB-CB 3.88Å; C158-M167 HydrophobicContact CB-CE 3.79Å
159	A	98.4	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-43.1	178.8	0	0	0	0	0	112.6	L155 M156 Y157 M167 A187 F190 A191 N196 L203	L155-A159 PolarHBondContact O-N 2.93Å; M156-A159 PolarHBondContact O-N 2.86Å; Y157-A159 VanDerWaalsContact C-N 3.33Å; A159-M167 HydrophobicContact CB-CE 3.73Å; A159-A187 HydrophobicContact CB-CB 4.17Å; A159-A187 WeakPolarHBondContact CB-O 3.47Å; A159-F190 HydrophobicContact CB-CB 4.29Å; A159-A191 HydrophobicContact CB-CB 4Å; A159-A191 WeakPolarHBondContact O-CA 3.4Å; A159-N196 PolarHBondContact O-ND2 3.36Å; A159-L203 HydrophobicContact CB-CD1 4.34Å
160	Q	96.9	Very high	94.8	Very high	70 Å²	70	33 Å²	33	33%	0.327	17%	0.167	S	C	.	.	H	α-helix	trans	-73.1	-35.4	-179.9	-170	-177.9	15.9	0	0	112.9	M156 Y157 C158 F190 K194 N196	M156-Q160 WeakPolarHBondContact O-CB 3.44Å; M156-Q160 PolarHBondContact O-N 2.54Å; Y157-Q160 PolarHBondContact O-N 3.17Å; C158-Q160 PolarHBondContact O-N 3.16Å; Q160-F190 HydrophobicContact CB-CB 4.27Å; Q160-K194 HydrophobicContact CG-CG 4.36Å; Q160-N196 PolarHBondContact O-ND2 2.95Å
161	R	97	Very high	95.8	Very high	124 Å²	124	27.7 Å²	27.7	47%	0.468	14%	0.139	S	C	.	.	H	α-helix	trans	-97.3	2.2	-172.7	-67.6	178.7	58.9	177.4	-8.8	114.7	K126 Y157 C158 L163	K126-R161 VanDerWaalsContact CA-NH1 3.32Å; K126-R161 PolarHBondContact O-NH1 3.41Å; K126-R161 PolarHBondContact O-NH2 2.98Å; Y157-R161 VanDerWaalsContact O-CB 3.3Å; Y157-R161 WeakPolarHBondContact O-CB 3.39Å; Y157-R161 WeakPolarHBondContact O-CG 3.49Å; Y157-R161 PolarHBondContact O-N 3.46Å; C158-R161 PolarHBondContact O-N 3.24Å; R161-L163 HydrophobicContact CB-CD1 3.98Å; R161-L163 HydrophobicContact CB-CG 3.97Å
162	N	97.9	Very high	96.5	Very high	65 Å²	65	32.8 Å²	32.8	35%	0.348	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	61.1	-176.5	-161.3	46.5	0	0	0	112.8	C158 P164 N196	C158-N162 PolarHBondContact O-N 3.2Å; N162-P164 WeakPolarHBondContact O-CD 3.3Å; N162-N196 HydrophobicContact CB-CB 4.21Å; N162-N196 PolarHBondContact N-ND2 2.95Å; N162-N196 WeakPolarHBondContact OD1-CB 3.33Å
163	L	98	Very high	96.6	Very high	38 Å²	38	32.3 Å²	32.3	20%	0.199	16%	0.163	C	C	.	.			trans	-114.8	67.8	-179.8	-55.4	172.4	0	0	0	110.8	V125 C158 R161 D165 I166 M167	V125-L163 HydrophobicContact CG1-CD1 4.38Å; C158-L163 HydrophobicContact CB-CB 4.14Å; C158-L163 PolarHBondContact O-N 3.45Å; C158-L163 VanDerWaalsContact O-N 3.08Å; R161-L163 HydrophobicContact CB-CD1 3.98Å; R161-L163 HydrophobicContact CB-CG 3.97Å; L163-D165 PolarHBondContact O-N 3.4Å; L163-I166 HydrophobicContact CB-CB 4.15Å; L163-I166 HydrophobicContact CB-CD1 4.38Å; L163-I166 HydrophobicContact CB-CG1 4.46Å; L163-I166 HydrophobicContact CD1-CD1 4.26Å; L163-I166 PolarHBondContact O-N 3.29Å; L163-M167 WeakPolarHBondContact O-CB 3.47Å; L163-M167 PolarHBondContact O-N 3.4Å
164	P	97.8	Very high	96.6	Very high	23 Å²	23	39 Å²	39	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-42.1	-175	25.2	-34.4	0	0	0	112.6	N162 I166 M167 S168 E198 L202	N162-P164 WeakPolarHBondContact O-CD 3.3Å; P164-I166 VanDerWaalsContact C-N 3.28Å; P164-I166 PolarHBondContact O-N 3.48Å; P164-M167 WeakPolarHBondContact O-CB 3.45Å; P164-M167 PolarHBondContact O-N 2.83Å; P164-M167 VanDerWaalsContact O-N 3.16Å; P164-S168 PolarHBondContact O-N 3.14Å; P164-S168 PolarHBondContact O-OG 3.07Å; P164-S168 VanDerWaalsContact O-OG 3.13Å; P164-E198 HydrophobicContact CB-CB 4.29Å; P164-E198 HydrophobicContact CG-CB 4.49Å; P164-L202 HydrophobicContact CB-CD1 3.75Å
165	D	97.3	Very high	96.5	Very high	133 Å²	133	39.4 Å²	39.4	71%	0.711	20%	0.202	S	C	*	.	H	α-helix	trans	-60.4	-38.8	179.6	-60.3	-30.4	0	0	0	112.6	L163 I169	L163-D165 PolarHBondContact O-N 3.4Å; D165-I169 WeakPolarHBondContact O-CG1 3.39Å; D165-I169 PolarHBondContact O-N 3.04Å
166	I	98	Very high	96.2	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-76.9	-38.1	178.4	-60.1	-177.6	0	0	0	110.3	V125 V130 L133 C158 L163 P164 S168 I169 L170	V125-I166 HydrophobicContact CB-CG2 4.4Å; V125-I166 HydrophobicContact CG1-CG2 4.25Å; V125-I166 HydrophobicContact CG2-CG2 3.77Å; V130-I166 HydrophobicContact CG2-CD1 4.41Å; V130-I166 HydrophobicContact CG2-CG1 3.99Å; L133-I166 HydrophobicContact CD2-CG2 3.62Å; C158-I166 VanDerWaalsContact SG-CG2 3.6Å; L163-I166 HydrophobicContact CB-CB 4.15Å; L163-I166 HydrophobicContact CB-CD1 4.38Å; L163-I166 HydrophobicContact CB-CG1 4.46Å; L163-I166 HydrophobicContact CD1-CD1 4.26Å; L163-I166 PolarHBondContact O-N 3.29Å; P164-I166 VanDerWaalsContact C-N 3.28Å; P164-I166 PolarHBondContact O-N 3.48Å; I166-S168 VanDerWaalsContact C-N 3.34Å; I166-I169 PolarHBondContact O-N 2.97Å; I166-L170 PolarHBondContact O-N 3.4Å; I166-L170 VanDerWaalsContact O-N 3.15Å
167	M	98.4	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-46.5	173.4	176.2	168.9	-73.1	0	0	111.3	L155 C158 A159 L163 P164 I169 L170 L171 C199 L202 L203	L155-M167 HydrophobicContact CD1-CE 4.12Å; L155-M167 HydrophobicContact CD1-CG 3.75Å; C158-M167 HydrophobicContact CB-CB 3.88Å; C158-M167 HydrophobicContact CB-CE 3.79Å; A159-M167 HydrophobicContact CB-CE 3.73Å; L163-M167 WeakPolarHBondContact O-CB 3.47Å; L163-M167 PolarHBondContact O-N 3.4Å; P164-M167 WeakPolarHBondContact O-CB 3.45Å; P164-M167 PolarHBondContact O-N 2.83Å; P164-M167 VanDerWaalsContact O-N 3.16Å; M167-I169 VanDerWaalsContact C-N 3.28Å; M167-I169 PolarHBondContact O-N 3Å; M167-L170 PolarHBondContact O-N 3.33Å; M167-L170 VanDerWaalsContact O-N 3.12Å; M167-L171 HydrophobicContact CG-CD1 3.54Å; M167-L171 HydrophobicContact CG-CG 4.08Å; M167-L171 WeakPolarHBondContact O-CB 3.47Å; M167-L171 VanDerWaalsContact O-CG 3.3Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 2.91Å; M167-L171 HydrophobicContact SD-CD1 4.31Å; M167-C199 HydrophobicContact CE-CB 3.87Å; M167-C199 HydrophobicContact SD-CB 3.81Å; M167-L202 HydrophobicContact CB-CD1 4.39Å; M167-L202 HydrophobicContact CG-CB 4.47Å; M167-L202 HydrophobicContact CG-CD1 4.24Å; M167-L202 HydrophobicContact SD-CB 4.03Å; M167-L202 HydrophobicContact SD-CD1 4.26Å; M167-L203 HydrophobicContact CE-CD1 4.06Å; M167-L203 HydrophobicContact CE-CD2 4.26Å; M167-L203 HydrophobicContact CE-CG 4.12Å; M167-L203 HydrophobicContact SD-CD1 4.3Å; M167-L203 HydrophobicContact SD-CD2 4.18Å; M167-L203 HydrophobicContact SD-CG 3.82Å
168	S	98.1	Very high	96.1	Very high	28 Å²	28	44.7 Å²	44.7	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-42.6	177.3	-60.9	0	0	0	0	111.7	P164 I166 L170 L171 E172 L202	P164-S168 PolarHBondContact O-N 3.14Å; P164-S168 PolarHBondContact O-OG 3.07Å; P164-S168 VanDerWaalsContact O-OG 3.13Å; I166-S168 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact O-N 3.32Å; S168-L171 PolarHBondContact O-N 2.92Å; S168-E172 VanDerWaalsContact O-CB 3.29Å; S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 WeakPolarHBondContact O-CG 3.47Å; S168-E172 PolarHBondContact O-N 3.41Å; S168-L202 WeakPolarHBondContact OG-CD1 3.03Å
169	I	97.2	Very high	95.7	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-43.6	177.2	-63.4	170	0	0	0	111.6	V130 L133 R134 L137 D165 I166 M167 A173	V130-I169 HydrophobicContact CG1-CD1 3.55Å; V130-I169 HydrophobicContact CG2-CD1 4.39Å; L133-I169 HydrophobicContact CD2-CB 4.31Å; L133-I169 HydrophobicContact CD2-CG2 3.96Å; L133-I169 HydrophobicContact CG-CG2 4.23Å; R134-I169 HydrophobicContact CG-CG2 4.29Å; L137-I169 HydrophobicContact CD1-CG2 3.58Å; D165-I169 WeakPolarHBondContact O-CG1 3.39Å; D165-I169 PolarHBondContact O-N 3.04Å; I166-I169 PolarHBondContact O-N 2.97Å; M167-I169 VanDerWaalsContact C-N 3.28Å; M167-I169 PolarHBondContact O-N 3Å; I169-A173 WeakPolarHBondContact O-CB 3.21Å; I169-A173 PolarHBondContact O-N 3.38Å; I169-A173 VanDerWaalsContact O-N 3.13Å
170	L	96.4	Very high	95.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-43.9	178	-68.3	174.6	0	0	0	111.3	I121 V125 L133 L137 I144 A154 L155 I166 M167 S168 A173 N174 A175	I121-L170 HydrophobicContact CG2-CD2 4.06Å; V125-L170 HydrophobicContact CG2-CD1 4.14Å; L133-L170 HydrophobicContact CD1-CD2 3.94Å; L133-L170 HydrophobicContact CD2-CD2 4.22Å; L133-L170 HydrophobicContact CD2-CG 4.35Å; L137-L170 HydrophobicContact CD1-CD2 4.48Å; I144-L170 HydrophobicContact CG2-CD2 4.42Å; A154-L170 HydrophobicContact CB-CD1 3.88Å; A154-L170 HydrophobicContact CB-CD2 4.42Å; L155-L170 HydrophobicContact CD1-CB 4.3Å; L155-L170 HydrophobicContact CD1-CD1 4.48Å; I166-L170 PolarHBondContact O-N 3.4Å; I166-L170 VanDerWaalsContact O-N 3.15Å; M167-L170 PolarHBondContact O-N 3.33Å; M167-L170 VanDerWaalsContact O-N 3.12Å; S168-L170 PolarHBondContact O-N 3.32Å; L170-A173 CarbonylContact O-C 3.56Å; L170-A173 WeakPolarHBondContact O-CA 3.34Å; L170-A173 WeakPolarHBondContact O-CB 3.12Å; L170-A173 PolarHBondContact O-N 3.24Å; L170-A173 VanDerWaalsContact O-N 3.15Å; L170-N174 PolarHBondContact O-N 3.11Å; L170-A175 HydrophobicContact CB-CB 3.91Å; L170-A175 WeakPolarHBondContact O-CB 3.46Å; L170-A175 PolarHBondContact O-N 3.31Å
171	L	96.3	Very high	94.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-41.4	179.8	-70.3	173.5	0	0	0	112.1	L155 M167 S168 A173 N174 T177 L202 L203 Y206	L155-L171 HydrophobicContact CD1-CD2 3.89Å; L155-L171 HydrophobicContact CD1-CG 3.95Å; L155-L171 HydrophobicContact CD2-CD2 3.98Å; M167-L171 HydrophobicContact CG-CD1 3.54Å; M167-L171 HydrophobicContact CG-CG 4.08Å; M167-L171 WeakPolarHBondContact O-CB 3.47Å; M167-L171 VanDerWaalsContact O-CG 3.3Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 2.91Å; M167-L171 HydrophobicContact SD-CD1 4.31Å; S168-L171 PolarHBondContact O-N 2.92Å; L171-A173 PolarHBondContact O-N 3.19Å; L171-N174 WeakPolarHBondContact O-CA 3.42Å; L171-N174 PolarHBondContact O-N 3.16Å; L171-T177 HydrophobicContact CD2-CG2 3.66Å; L171-L202 HydrophobicContact CD1-CB 4.06Å; L171-L203 HydrophobicContact CD2-CD2 4.46Å; L171-Y206 HydrophobicContact CB-CD1 3.69Å; L171-Y206 HydrophobicContact CB-CD2 4.06Å; L171-Y206 HydrophobicContact CB-CE1 3.68Å; L171-Y206 HydrophobicContact CB-CE2 4.05Å; L171-Y206 HydrophobicContact CB-CG 3.87Å; L171-Y206 HydrophobicContact CD1-CD2 3.71Å; L171-Y206 HydrophobicContact CD1-CE2 4.16Å; L171-Y206 HydrophobicContact CD1-CG 3.95Å; L171-Y206 HydrophobicContact CD2-CD1 4.38Å; L171-Y206 HydrophobicContact CD2-CG 4.11Å; L171-Y206 HydrophobicContact CG-CD1 4.44Å; L171-Y206 HydrophobicContact CG-CD2 4.37Å; L171-Y206 HydrophobicContact CG-CG 4.2Å
172	E	95.6	Very high	94.5	Very high	118 Å²	118	44.7 Å²	44.7	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-60.9	-30.3	171.7	-75	170.4	-173.8	0	0	112	S168 N174	S168-E172 VanDerWaalsContact O-CB 3.29Å; S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 WeakPolarHBondContact O-CG 3.47Å; S168-E172 PolarHBondContact O-N 3.41Å; E172-N174 PolarHBondContact O-N 3.28Å
173	A	91.9	Very high	94.1	Very high	29 Å²	29	44.5 Å²	44.5	24%	0.24	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	14.6	172.6	0	0	0	0	0	113.5	L137 I144 I169 L170 L171	L137-A173 HydrophobicContact CD1-CB 4Å; L137-A173 HydrophobicContact CD2-CB 4.16Å; I144-A173 HydrophobicContact CD1-CB 3.69Å; I144-A173 WeakPolarHBondContact CD1-O 3.37Å; I169-A173 WeakPolarHBondContact O-CB 3.21Å; I169-A173 PolarHBondContact O-N 3.38Å; I169-A173 VanDerWaalsContact O-N 3.13Å; L170-A173 CarbonylContact O-C 3.56Å; L170-A173 WeakPolarHBondContact O-CA 3.34Å; L170-A173 WeakPolarHBondContact O-CB 3.12Å; L170-A173 PolarHBondContact O-N 3.24Å; L170-A173 VanDerWaalsContact O-N 3.15Å; L171-A173 PolarHBondContact O-N 3.19Å
174	N	90.6	Very high	93.9	Very high	143 Å²	143	42.7 Å²	42.7	77%	0.765	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	33	-178.9	-51.9	-64.6	0	0	0	114.9	L170 L171 E172 N176	L170-N174 PolarHBondContact O-N 3.11Å; L171-N174 WeakPolarHBondContact O-CA 3.42Å; L171-N174 PolarHBondContact O-N 3.16Å; E172-N174 PolarHBondContact O-N 3.28Å; N174-N176 PolarHBondContact O-N 3.15Å
175	A	91.5	Very high	93.9	Very high	8 Å²	8	44.3 Å²	44.3	7%	0.066	24%	0.243	C	C	.	.			trans	-56.5	130	166.4	0	0	0	0	0	110.3	I144 E145 L155 L170 T177	I144-A175 HydrophobicContact CG2-CB 3.56Å; E145-A175 VanDerWaalsContact OE1-CA 3.28Å; E145-A175 WeakPolarHBondContact OE1-CA 3.17Å; L155-A175 HydrophobicContact CD2-CB 4.25Å; L170-A175 HydrophobicContact CB-CB 3.91Å; L170-A175 WeakPolarHBondContact O-CB 3.46Å; L170-A175 PolarHBondContact O-N 3.31Å; A175-T177 PolarHBondContact O-N 2.87Å
176	N	91.2	Very high	93.9	Very high	74 Å²	74	38 Å²	38	40%	0.396	21%	0.209	S	C	.	.			trans	-76.8	119.6	-178.3	-177.2	10.2	0	0	0	110.5	E145 N174 E178 T179	E145-N176 HydrophobicContact CG-CB 4.42Å; E145-N176 PolarHBondContact OE1-N 3.41Å; N174-N176 PolarHBondContact O-N 3.15Å; N176-E178 PolarHBondContact O-N 3.13Å; N176-E178 PolarHBondContact OD1-N 3.31Å; N176-T179 PolarHBondContact ND2-OG1 2.82Å
177	T	95.6	Very high	94	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.067	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.1	176.9	49.4	0	0	0	0	112.9	L155 L171 A175 L203 A208	L155-T177 HydrophobicContact CD2-CG2 4.49Å; L171-T177 HydrophobicContact CD2-CG2 3.66Å; A175-T177 PolarHBondContact O-N 2.87Å; T177-L203 HydrophobicContact CG2-CD2 3.94Å; T177-A208 HydrophobicContact CG2-CB 4.4Å
178	E	95.3	Very high	94	Very high	51 Å²	51	37.5 Å²	37.5	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.5	-173.4	-62.2	-53	115.8	0	0	114.4	N176 E180 A208 D209	N176-E178 PolarHBondContact O-N 3.13Å; N176-E178 PolarHBondContact OD1-N 3.31Å; E178-E180 PolarHBondContact O-N 3.43Å; E178-A208 WeakPolarHBondContact OE1-CA 3.24Å; E178-D209 PolarHBondContact OE1-N 3.12Å
179	T	90.5	Very high	94	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.16	20%	0.198	C	C	.	.			trans	-63.1	129.5	173.6	-63.9	0	0	0	0	110.3	E145 L147 T153 M156 N176	E145-T179 VanDerWaalsContact OE2-CB 3.26Å; E145-T179 WeakPolarHBondContact OE2-CB 3.25Å; E145-T179 PolarHBondContact OE2-OG1 3.48Å; L147-T179 HydrophobicContact CD2-CG2 4.26Å; T153-T179 HydrophobicContact CG2-CG2 3.47Å; T153-T179 VanDerWaalsContact CG2-CG2 3.47Å; M156-T179 WeakPolarHBondContact CE-O 3.28Å; N176-T179 PolarHBondContact ND2-OG1 2.82Å
180	E	91.1	Very high	94.1	Very high	89 Å²	89	37 Å²	37	42%	0.416	20%	0.201	S	C	.	.			trans	-94	140	-176.3	-68.3	-176.8	-168.1	0	0	112.6	E178 G184 T186 H212	E178-E180 PolarHBondContact O-N 3.43Å; E180-G184 WeakPolarHBondContact OE2-CA 3.22Å; E180-T186 HydrophobicContact CG-CG2 4.38Å; E180-H212 IonicContact OE1-CE1 2.9Å; E180-H212 PolarHBondContact OE1-CE1 3.15Å; E180-H212 IonicContact OE1-NE2 2.74Å; E180-H212 PolarHBondContact OE1-NE2 3.33Å
181	S	88.2	Confident	94.2	Very high	6 Å²	6	37 Å²	37	4%	0.042	20%	0.201	C	C	.	.			trans	-70.5	174.7	166.2	62.9	0	0	0	0	112.2	G151 T183 G184 K185	G151-S181 WeakPolarHBondContact O-CA 3.46Å; G151-S181 VanDerWaalsContact O-CB 3.3Å; G151-S181 WeakPolarHBondContact O-CB 3.29Å; S181-T183 PolarHBondContact O-N 3.34Å; S181-T183 PolarHBondContact OG-OG1 3.16Å; S181-G184 PolarHBondContact O-N 2.76Å; S181-K185 PolarHBondContact N-O 3.44Å; S181-K185 WeakPolarHBondContact OG-CB 3.2Å; S181-K185 PolarHBondContact OG-N 2.97Å; S181-K185 VanDerWaalsContact OG-N 3.15Å; S181-K185 PolarHBondContact OG-O 2.85Å; S181-K185 VanDerWaalsContact OG-O 3.09Å
182	S	87.6	Confident	94.3	Very high	74 Å²	74	36.9 Å²	36.9	52%	0.517	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.5	173.6	61.2	0	0	0	0	114.5	K215	S182-K215 WeakPolarHBondContact O-CE 3.42Å; S182-K215 PolarHBondContact O-NZ 3Å
183	T	89.8	Confident	94.4	Very high	60 Å²	60	35.6 Å²	35.6	37%	0.368	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2.6	177.4	61.1	0	0	0	0	114.5	S181 K215	S181-T183 PolarHBondContact O-N 3.34Å; S181-T183 PolarHBondContact OG-OG1 3.16Å; T183-K215 WeakPolarHBondContact O-CB 3.27Å; T183-K215 WeakPolarHBondContact O-CG 3.43Å; T183-K215 PolarHBondContact O-N 3.32Å; T183-K215 VanDerWaalsContact O-N 3.14Å
184	G	94.4	Very high	94.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	84	7.8	-176.7	0	0	0	0	0	114.5	E180 S181 H212	E180-G184 WeakPolarHBondContact OE2-CA 3.22Å; S181-G184 PolarHBondContact O-N 2.76Å; G184-H212 PolarHBondContact O-NE2 2.88Å
185	K	97.3	Very high	95.1	Very high	56 Å²	56	32.7 Å²	32.7	24%	0.243	17%	0.173	C	C	.	.			trans	-85.6	135.5	-179	-63.4	177.7	176.4	171.8	0	111.7	S181 M189 F190 D214	S181-K185 PolarHBondContact N-O 3.44Å; S181-K185 WeakPolarHBondContact OG-CB 3.2Å; S181-K185 PolarHBondContact OG-N 2.97Å; S181-K185 VanDerWaalsContact OG-N 3.15Å; S181-K185 PolarHBondContact OG-O 2.85Å; S181-K185 VanDerWaalsContact OG-O 3.09Å; K185-M189 HydrophobicContact CB-CB 4.29Å; K185-M189 HydrophobicContact CB-SD 3.82Å; K185-M189 HydrophobicContact CG-SD 3.78Å; K185-F190 HydrophobicContact CB-CE2 3.84Å; K185-F190 HydrophobicContact CB-CZ 3.93Å; K185-F190 HydrophobicContact CD-CE1 4.49Å; K185-F190 HydrophobicContact CD-CZ 4.33Å; K185-D214 WeakPolarHBondContact CE-OD2 3.45Å; K185-D214 HydrophobicContact CG-CB 3.79Å
186	T	97.5	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.			trans	-92.2	171.1	173.2	55.4	0	0	0	0	111.7	E180 I188 M189 F190 H212	E180-T186 HydrophobicContact CG-CG2 4.38Å; T186-I188 VanDerWaalsContact C-N 3.29Å; T186-I188 PolarHBondContact O-N 3.28Å; T186-M189 WeakPolarHBondContact O-CB 3.39Å; T186-M189 PolarHBondContact O-N 3.28Å; T186-M189 VanDerWaalsContact O-N 3.16Å; T186-F190 VanDerWaalsContact O-CD2 3.24Å; T186-F190 WeakPolarHBondContact O-CD2 3.32Å; T186-H212 VanDerWaalsContact CG2-CD2 3.46Å; T186-H212 WeakPolarHBondContact CG2-CD2 3.24Å
187	A	98.5	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-40.1	-177.7	0	0	0	0	0	112.9	L155 M156 A159 M189 F190 A191 L203	L155-A187 HydrophobicContact CD2-CB 4.12Å; L155-A187 HydrophobicContact CG-CB 4.04Å; M156-A187 HydrophobicContact CG-CB 4.37Å; A159-A187 HydrophobicContact CB-CB 4.17Å; A159-A187 WeakPolarHBondContact CB-O 3.47Å; A187-M189 PolarHBondContact O-N 3.13Å; A187-F190 PolarHBondContact O-N 3.48Å; A187-F190 VanDerWaalsContact O-N 3.11Å; A187-A191 PolarHBondContact O-N 3.22Å; A187-L203 HydrophobicContact CB-CD1 3.89Å; A187-L203 HydrophobicContact CB-CD2 3.78Å
188	I	98.7	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-31.4	-178	-166	171.1	0	0	0	112.1	T186 A191 A192 L203 L204 A208 A220 L236	T186-I188 VanDerWaalsContact C-N 3.29Å; T186-I188 PolarHBondContact O-N 3.28Å; I188-A191 PolarHBondContact O-N 3.08Å; I188-A192 WeakPolarHBondContact O-CB 3.39Å; I188-A192 PolarHBondContact O-N 3.03Å; I188-L203 HydrophobicContact CB-CD1 4.06Å; I188-L204 HydrophobicContact CD1-CD1 4.42Å; I188-L204 HydrophobicContact CD1-CD2 3.68Å; I188-L204 HydrophobicContact CD1-CG 3.79Å; I188-A208 HydrophobicContact CB-CB 4.44Å; I188-A208 HydrophobicContact CD1-CB 4.34Å; I188-A220 HydrophobicContact CG2-CB 4.32Å; I188-L236 HydrophobicContact CD1-CD2 4.12Å
189	M	98.8	Very high	96.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-38.6	176.8	-63.4	-173.7	168.7	0	0	112.1	K185 T186 A187 A192 F193 H212 D214 L218 A220 I223	K185-M189 HydrophobicContact CB-CB 4.29Å; K185-M189 HydrophobicContact CB-SD 3.82Å; K185-M189 HydrophobicContact CG-SD 3.78Å; T186-M189 WeakPolarHBondContact O-CB 3.39Å; T186-M189 PolarHBondContact O-N 3.28Å; T186-M189 VanDerWaalsContact O-N 3.16Å; A187-M189 PolarHBondContact O-N 3.13Å; M189-A192 PolarHBondContact O-N 3.3Å; M189-F193 PolarHBondContact O-N 3.31Å; M189-H212 WeakPolarHBondContact CE-O 3.38Å; M189-D214 HydrophobicContact CE-CB 4.47Å; M189-D214 HydrophobicContact SD-CB 4.22Å; M189-L218 WeakPolarHBondContact CE-O 3.4Å; M189-A220 HydrophobicContact CG-CB 4.25Å; M189-I223 HydrophobicContact CB-CG1 4.44Å; M189-I223 WeakPolarHBondContact O-CG2 3.48Å
190	F	98.5	Very high	96.5	Very high	25 Å²	25	32.9 Å²	32.9	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-68.4	-41.5	176.4	-65.6	-77.6	0	0	0	111.9	F152 M156 A159 Q160 K185 T186 A187 K194	F152-F190 HydrophobicContact CD1-CE1 4.29Å; F152-F190 HydrophobicContact CD1-CZ 4.08Å; F152-F190 HydrophobicContact CE1-CD1 4.03Å; F152-F190 AromaticContact CE1-CE1 3.32Å; F152-F190 HydrophobicContact CE1-CE1 3.32Å; F152-F190 HydrophobicContact CE1-CE2 4.24Å; F152-F190 AromaticContact CE1-CZ 3.43Å; F152-F190 HydrophobicContact CE1-CZ 3.43Å; F152-F190 VanDerWaalsContact CE1-CZ 3.43Å; F152-F190 AromaticContact CZ-CE1 3.86Å; F152-F190 HydrophobicContact CZ-CE1 3.86Å; F152-F190 AromaticContact CZ-CZ 4Å; F152-F190 HydrophobicContact CZ-CZ 4Å; M156-F190 HydrophobicContact CB-CD2 4.05Å; M156-F190 HydrophobicContact CB-CE2 4.2Å; M156-F190 HydrophobicContact CG-CD2 3.94Å; M156-F190 HydrophobicContact CG-CE2 3.87Å; M156-F190 HydrophobicContact SD-CD2 4.44Å; M156-F190 HydrophobicContact SD-CE2 3.77Å; M156-F190 HydrophobicContact SD-CZ 4.48Å; A159-F190 HydrophobicContact CB-CB 4.29Å; Q160-F190 HydrophobicContact CB-CB 4.27Å; K185-F190 HydrophobicContact CB-CE2 3.84Å; K185-F190 HydrophobicContact CB-CZ 3.93Å; K185-F190 HydrophobicContact CD-CE1 4.49Å; K185-F190 HydrophobicContact CD-CZ 4.33Å; T186-F190 VanDerWaalsContact O-CD2 3.24Å; T186-F190 WeakPolarHBondContact O-CD2 3.32Å; A187-F190 PolarHBondContact O-N 3.48Å; A187-F190 VanDerWaalsContact O-N 3.11Å; F190-K194 PolarHBondContact O-N 3.37Å
191	A	98.7	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-42.3	174.2	0	0	0	0	0	111.6	A159 A187 I188 F193 K194 G195 N196 C199 M200 L203	A159-A191 HydrophobicContact CB-CB 4Å; A159-A191 WeakPolarHBondContact O-CA 3.4Å; A187-A191 PolarHBondContact O-N 3.22Å; I188-A191 PolarHBondContact O-N 3.08Å; A191-F193 PolarHBondContact O-N 3.44Å; A191-K194 CarbonylContact O-C 3.42Å; A191-K194 PolarHBondContact O-N 2.78Å; A191-G195 PolarHBondContact O-N 2.9Å; A191-N196 HydrophobicContact CB-CB 4.23Å; A191-N196 PolarHBondContact O-N 3.42Å; A191-C199 HydrophobicContact CB-CB 4.15Å; A191-M200 HydrophobicContact CB-CG 3.56Å; A191-L203 HydrophobicContact CB-CD1 4.46Å
192	A	98.8	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177.9	0	0	0	0	0	112.8	I188 M189 K194 G195 M200 A220 A224 L236	I188-A192 WeakPolarHBondContact O-CB 3.39Å; I188-A192 PolarHBondContact O-N 3.03Å; M189-A192 PolarHBondContact O-N 3.3Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 2.83Å; A192-G195 PolarHBondContact O-N 3.24Å; A192-M200 HydrophobicContact CB-CE 4.06Å; A192-M200 HydrophobicContact CB-SD 4.27Å; A192-A220 HydrophobicContact CB-CB 4.41Å; A192-A224 HydrophobicContact CB-CB 4.23Å; A192-L236 HydrophobicContact CB-CD1 4.23Å
193	F	98.4	Very high	97.9	Very high	91 Å²	91	31 Å²	31	40%	0.399	15%	0.152	S	C	.	.	H	α-helix	trans	-60.4	-37.4	175.2	-176.1	-107.2	0	0	0	112.3	M189 A191 I223 D226 G227	M189-F193 PolarHBondContact O-N 3.31Å; A191-F193 PolarHBondContact O-N 3.44Å; F193-I223 HydrophobicContact CB-CG2 3.55Å; F193-I223 HydrophobicContact CD2-CG2 4.15Å; F193-I223 HydrophobicContact CG-CG2 4.3Å; F193-D226 HydrophobicContact CD2-CB 4.14Å; F193-D226 HydrophobicContact CE2-CB 3.97Å; F193-G227 VanDerWaalsContact O-CA 3.24Å; F193-G227 WeakPolarHBondContact O-CA 3.29Å
194	K	98.2	Very high	98.3	Very high	95 Å²	95	29.9 Å²	29.9	41%	0.413	14%	0.144	S	C	.	.	H	α-helix	trans	-88.9	-13.9	-178	-67.6	-62.7	-171.2	-179.9	0	114	Q160 F190 A191 A192 N196	Q160-K194 HydrophobicContact CG-CG 4.36Å; F190-K194 PolarHBondContact O-N 3.37Å; A191-K194 CarbonylContact O-C 3.42Å; A191-K194 PolarHBondContact O-N 2.78Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 2.83Å; K194-N196 WeakPolarHBondContact CB-ND2 3.48Å
195	G	98.2	Very high	98.4	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	25.3	-175.7	0	0	0	0	0	113.3	A191 A192 I197	A191-G195 PolarHBondContact O-N 2.9Å; A192-G195 PolarHBondContact O-N 3.24Å; G195-I197 VanDerWaalsContact C-N 3.31Å; G195-I197 WeakPolarHBondContact O-CG1 3.22Å; G195-I197 PolarHBondContact O-N 3.15Å
196	N	98.7	Very high	98.5	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	18%	0.183	C	C	.	.			trans	-79.6	77.7	-177.2	-66.4	-17.8	0	0	0	110.4	A159 Q160 N162 A191 K194 E198 C199 M200	A159-N196 PolarHBondContact O-ND2 3.36Å; Q160-N196 PolarHBondContact O-ND2 2.95Å; N162-N196 HydrophobicContact CB-CB 4.21Å; N162-N196 PolarHBondContact N-ND2 2.95Å; N162-N196 WeakPolarHBondContact OD1-CB 3.33Å; A191-N196 HydrophobicContact CB-CB 4.23Å; A191-N196 PolarHBondContact O-N 3.42Å; K194-N196 WeakPolarHBondContact CB-ND2 3.48Å; N196-E198 PolarHBondContact O-N 2.86Å; N196-C199 HydrophobicContact CB-CB 4.2Å; N196-C199 PolarHBondContact O-N 2.86Å; N196-M200 WeakPolarHBondContact O-CG 3.12Å; N196-M200 PolarHBondContact O-N 2.61Å
197	I	98.6	Very high	98.4	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.205	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-46.5	-169.5	-55.4	-52.1	0	0	0	112.8	G195 C199 M200 E201 R231 A232 L235	G195-I197 VanDerWaalsContact C-N 3.31Å; G195-I197 WeakPolarHBondContact O-CG1 3.22Å; G195-I197 PolarHBondContact O-N 3.15Å; I197-C199 VanDerWaalsContact C-N 3.3Å; I197-C199 PolarHBondContact O-N 2.77Å; I197-M200 HydrophobicContact CD1-SD 4.16Å; I197-M200 WeakPolarHBondContact O-CA 3.49Å; I197-M200 WeakPolarHBondContact O-CB 3.45Å; I197-M200 PolarHBondContact O-N 3.08Å; I197-E201 HydrophobicContact CG2-CG 4.34Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 3.41Å; I197-R231 HydrophobicContact CD1-CB 3.72Å; I197-R231 HydrophobicContact CG1-CB 4.07Å; I197-A232 HydrophobicContact CD1-CB 4.07Å; I197-L235 HydrophobicContact CG2-CD2 4.05Å
198	E	98.5	Very high	98.4	Very high	111 Å²	111	41.7 Å²	41.7	52%	0.519	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.3	-67.5	166	-173.3	0	0	111.6	P164 N196 E201 L202	P164-E198 HydrophobicContact CB-CB 4.29Å; P164-E198 HydrophobicContact CG-CB 4.49Å; N196-E198 PolarHBondContact O-N 2.86Å; E198-E201 PolarHBondContact O-N 3.02Å; E198-L202 WeakPolarHBondContact O-CG 3.46Å; E198-L202 PolarHBondContact O-N 3.26Å; E198-L202 VanDerWaalsContact O-N 3.08Å
199	C	98.8	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-38.2	174.2	-68.3	0	0	0	0	112	M167 A191 N196 I197 L203	M167-C199 HydrophobicContact CE-CB 3.87Å; M167-C199 HydrophobicContact SD-CB 3.81Å; A191-C199 HydrophobicContact CB-CB 4.15Å; N196-C199 HydrophobicContact CB-CB 4.2Å; N196-C199 PolarHBondContact O-N 2.86Å; I197-C199 VanDerWaalsContact C-N 3.3Å; I197-C199 PolarHBondContact O-N 2.77Å; C199-L203 WeakPolarHBondContact O-CB 3.16Å; C199-L203 WeakPolarHBondContact O-CD1 3.42Å; C199-L203 WeakPolarHBondContact O-CG 3.41Å; C199-L203 PolarHBondContact O-N 2.68Å
200	M	98.8	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176.1	-65.2	172.2	65.7	0	0	111.6	A191 A192 N196 I197 L203 L204 A232 L235 L236	A191-M200 HydrophobicContact CB-CG 3.56Å; A192-M200 HydrophobicContact CB-CE 4.06Å; A192-M200 HydrophobicContact CB-SD 4.27Å; N196-M200 WeakPolarHBondContact O-CG 3.12Å; N196-M200 PolarHBondContact O-N 2.61Å; I197-M200 HydrophobicContact CD1-SD 4.16Å; I197-M200 WeakPolarHBondContact O-CA 3.49Å; I197-M200 WeakPolarHBondContact O-CB 3.45Å; I197-M200 PolarHBondContact O-N 3.08Å; M200-L203 PolarHBondContact O-N 2.9Å; M200-L204 WeakPolarHBondContact O-CB 3.2Å; M200-L204 WeakPolarHBondContact O-CD1 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.47Å; M200-L204 PolarHBondContact O-N 3.27Å; M200-A232 HydrophobicContact CE-CB 3.86Å; M200-A232 HydrophobicContact SD-CB 3.69Å; M200-L235 HydrophobicContact CB-CD2 3.61Å; M200-L235 HydrophobicContact CE-CD2 4.14Å; M200-L235 HydrophobicContact SD-CD2 4.47Å; M200-L236 HydrophobicContact CE-CD1 3.94Å; M200-L236 HydrophobicContact CE-CD2 3.68Å; M200-L236 HydrophobicContact CE-CG 3.53Å
201	E	98.7	Very high	98.4	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-46.1	177.5	-71.2	175.8	153.4	0	0	111.2	I197 E198 L204 E205 L235	I197-E201 HydrophobicContact CG2-CG 4.34Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 3.41Å; E198-E201 PolarHBondContact O-N 3.02Å; E201-L204 PolarHBondContact O-N 3.15Å; E201-E205 WeakPolarHBondContact O-CB 3.45Å; E201-E205 PolarHBondContact O-N 3.45Å; E201-L235 HydrophobicContact CG-CD1 4.15Å; E201-L235 HydrophobicContact CG-CD2 3.7Å
202	L	98.5	Very high	98.3	Very high	28 Å²	28	49 Å²	49	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-47.6	174.4	-73.9	170.9	0	0	0	112.1	P164 M167 S168 L171 E198 L204 E205 Y206	P164-L202 HydrophobicContact CB-CD1 3.75Å; M167-L202 HydrophobicContact CB-CD1 4.39Å; M167-L202 HydrophobicContact CG-CB 4.47Å; M167-L202 HydrophobicContact CG-CD1 4.24Å; M167-L202 HydrophobicContact SD-CB 4.03Å; M167-L202 HydrophobicContact SD-CD1 4.26Å; S168-L202 WeakPolarHBondContact OG-CD1 3.03Å; L171-L202 HydrophobicContact CD1-CB 4.06Å; E198-L202 WeakPolarHBondContact O-CG 3.46Å; E198-L202 PolarHBondContact O-N 3.26Å; E198-L202 VanDerWaalsContact O-N 3.08Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 3.42Å; L202-E205 WeakPolarHBondContact O-CB 3.17Å; L202-E205 PolarHBondContact O-N 3.3Å; L202-Y206 VanDerWaalsContact O-CD2 3.31Å; L202-Y206 WeakPolarHBondContact O-CD2 3.18Å; L202-Y206 PolarHBondContact O-N 3.02Å
203	L	98.7	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-41.7	179.4	-71.6	166.4	0	0	0	111.8	L155 A159 M167 L171 T177 A187 I188 A191 C199 M200 Y206 G207 A208	L155-L203 HydrophobicContact CD1-CD2 4.31Å; L155-L203 HydrophobicContact CD2-CD2 3.9Å; L155-L203 HydrophobicContact CG-CD2 4.15Å; A159-L203 HydrophobicContact CB-CD1 4.34Å; M167-L203 HydrophobicContact CE-CD1 4.06Å; M167-L203 HydrophobicContact CE-CD2 4.26Å; M167-L203 HydrophobicContact CE-CG 4.12Å; M167-L203 HydrophobicContact SD-CD1 4.3Å; M167-L203 HydrophobicContact SD-CD2 4.18Å; M167-L203 HydrophobicContact SD-CG 3.82Å; L171-L203 HydrophobicContact CD2-CD2 4.46Å; T177-L203 HydrophobicContact CG2-CD2 3.94Å; A187-L203 HydrophobicContact CB-CD1 3.89Å; A187-L203 HydrophobicContact CB-CD2 3.78Å; I188-L203 HydrophobicContact CB-CD1 4.06Å; A191-L203 HydrophobicContact CB-CD1 4.46Å; C199-L203 WeakPolarHBondContact O-CB 3.16Å; C199-L203 WeakPolarHBondContact O-CD1 3.42Å; C199-L203 WeakPolarHBondContact O-CG 3.41Å; C199-L203 PolarHBondContact O-N 2.68Å; M200-L203 PolarHBondContact O-N 2.9Å; L203-Y206 CarbonylContact O-C 3.36Å; L203-Y206 PolarHBondContact O-N 2.79Å; L203-G207 PolarHBondContact O-N 3.49Å; L203-A208 HydrophobicContact CB-CB 3.95Å; L203-A208 WeakPolarHBondContact O-CB 3.5Å; L203-A208 PolarHBondContact O-N 3.43Å
204	L	98.5	Very high	98.2	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-38.9	176.8	-72.1	165.7	0	0	0	112.4	I188 M200 E201 L202 Y206 G207 V210 L235 S239	I188-L204 HydrophobicContact CD1-CD1 4.42Å; I188-L204 HydrophobicContact CD1-CD2 3.68Å; I188-L204 HydrophobicContact CD1-CG 3.79Å; M200-L204 WeakPolarHBondContact O-CB 3.2Å; M200-L204 WeakPolarHBondContact O-CD1 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.47Å; M200-L204 PolarHBondContact O-N 3.27Å; E201-L204 PolarHBondContact O-N 3.15Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 3.42Å; L204-Y206 VanDerWaalsContact C-N 3.27Å; L204-Y206 PolarHBondContact O-N 3Å; L204-G207 PolarHBondContact O-N 3.47Å; L204-G207 VanDerWaalsContact O-N 3.11Å; L204-V210 HydrophobicContact CD2-CB 4.17Å; L204-V210 HydrophobicContact CD2-CG2 4.11Å; L204-L235 HydrophobicContact CD1-CD1 4.26Å; L204-L235 HydrophobicContact CD1-CD2 4.23Å; L204-L235 HydrophobicContact CD1-CG 4.05Å; L204-S239 VanDerWaalsContact CD1-OG 3.29Å; L204-S239 WeakPolarHBondContact CD1-OG 3.3Å
205	E	98.1	Very high	98.2	Very high	152 Å²	152	49.9 Å²	49.9	71%	0.71	26%	0.263	S	S	*	.	H	α-helix	trans	-60.5	-39.1	174.3	-178.1	177.2	-178.7	0	0	111.6	E201 L202 G207	E201-E205 WeakPolarHBondContact O-CB 3.45Å; E201-E205 PolarHBondContact O-N 3.45Å; L202-E205 WeakPolarHBondContact O-CB 3.17Å; L202-E205 PolarHBondContact O-N 3.3Å; E205-G207 PolarHBondContact O-N 2.85Å
206	Y	98.1	Very high	98.1	Very high	91 Å²	91	52.6 Å²	52.6	36%	0.357	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	20	175.7	-76	-100.8	0	0	0	113.5	L171 L202 L203 L204	L171-Y206 HydrophobicContact CB-CD1 3.69Å; L171-Y206 HydrophobicContact CB-CD2 4.06Å; L171-Y206 HydrophobicContact CB-CE1 3.68Å; L171-Y206 HydrophobicContact CB-CE2 4.05Å; L171-Y206 HydrophobicContact CB-CG 3.87Å; L171-Y206 HydrophobicContact CD1-CD2 3.71Å; L171-Y206 HydrophobicContact CD1-CE2 4.16Å; L171-Y206 HydrophobicContact CD1-CG 3.95Å; L171-Y206 HydrophobicContact CD2-CD1 4.38Å; L171-Y206 HydrophobicContact CD2-CG 4.11Å; L171-Y206 HydrophobicContact CG-CD1 4.44Å; L171-Y206 HydrophobicContact CG-CD2 4.37Å; L171-Y206 HydrophobicContact CG-CG 4.2Å; L202-Y206 VanDerWaalsContact O-CD2 3.31Å; L202-Y206 WeakPolarHBondContact O-CD2 3.18Å; L202-Y206 PolarHBondContact O-N 3.02Å; L203-Y206 CarbonylContact O-C 3.36Å; L203-Y206 PolarHBondContact O-N 2.79Å; L204-Y206 VanDerWaalsContact C-N 3.27Å; L204-Y206 PolarHBondContact O-N 3Å
207	G	96.6	Very high	98	Very high	54 Å²	54	51.7 Å²	51.7	56%	0.557	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	21.2	166.2	0	0	0	0	0	116.1	L203 L204 E205 D209	L203-G207 PolarHBondContact O-N 3.49Å; L204-G207 PolarHBondContact O-N 3.47Å; L204-G207 VanDerWaalsContact O-N 3.11Å; E205-G207 PolarHBondContact O-N 2.85Å; G207-D209 PolarHBondContact O-N 3.03Å
208	A	98.3	Very high	98	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	26%	0.264	C	S	.	.			trans	-58.6	133	174.2	0	0	0	0	0	112.2	T177 E178 I188 L203 V210	T177-A208 HydrophobicContact CG2-CB 4.4Å; E178-A208 WeakPolarHBondContact OE1-CA 3.24Å; I188-A208 HydrophobicContact CB-CB 4.44Å; I188-A208 HydrophobicContact CD1-CB 4.34Å; L203-A208 HydrophobicContact CB-CB 3.95Å; L203-A208 WeakPolarHBondContact O-CB 3.5Å; L203-A208 PolarHBondContact O-N 3.43Å; A208-V210 PolarHBondContact O-N 3.37Å
209	D	98.1	Very high	98	Very high	74 Å²	74	45.6 Å²	45.6	40%	0.396	24%	0.242	S	C	.	.			trans	-75.1	108.1	176.8	-176.6	5.9	0	0	0	110.5	E178 G207 N211 H212	E178-D209 PolarHBondContact OE1-N 3.12Å; G207-D209 PolarHBondContact O-N 3.03Å; D209-N211 PolarHBondContact O-N 3.09Å; D209-N211 PolarHBondContact OD1-N 3.44Å; D209-H212 HydrophobicContact CB-CB 4.22Å; D209-H212 PolarHBondContact O-N 2.95Å; D209-H212 PolarHBondContact OD2-N 3.05Å
210	V	98	Very high	98	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.4	179.1	84.1	0	0	0	0	113.4	L204 A208 L236 S239 S241	L204-V210 HydrophobicContact CD2-CB 4.17Å; L204-V210 HydrophobicContact CD2-CG2 4.11Å; A208-V210 PolarHBondContact O-N 3.37Å; V210-L236 HydrophobicContact CG2-CB 4.45Å; V210-L236 HydrophobicContact CG2-CD2 3.51Å; V210-S239 WeakPolarHBondContact CG1-O 3.48Å; V210-S241 WeakPolarHBondContact CG2-OG 3.44Å
211	N	98.3	Very high	98	Very high	65 Å²	65	45.6 Å²	45.6	35%	0.348	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	1	-176.6	-70.8	-58.2	0	0	0	113.4	D209 S240 S241 N242	D209-N211 PolarHBondContact O-N 3.09Å; D209-N211 PolarHBondContact OD1-N 3.44Å; N211-S240 PolarHBondContact ND2-O 3.35Å; N211-S240 VanDerWaalsContact ND2-O 3.15Å; N211-S241 WeakPolarHBondContact OD1-CA 3.35Å; N211-N242 PolarHBondContact OD1-N 3.08Å
212	H	98.5	Very high	98	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.153	22%	0.22	C	C	.	.			trans	-52.3	142.9	172.5	-175.6	65.9	0	0	0	110.9	E180 G184 T186 M189 D209 T219	E180-H212 IonicContact OE1-CE1 2.9Å; E180-H212 PolarHBondContact OE1-CE1 3.15Å; E180-H212 IonicContact OE1-NE2 2.74Å; E180-H212 PolarHBondContact OE1-NE2 3.33Å; G184-H212 PolarHBondContact O-NE2 2.88Å; T186-H212 VanDerWaalsContact CG2-CD2 3.46Å; T186-H212 WeakPolarHBondContact CG2-CD2 3.24Å; M189-H212 WeakPolarHBondContact CE-O 3.38Å; D209-H212 HydrophobicContact CB-CB 4.22Å; D209-H212 PolarHBondContact O-N 2.95Å; D209-H212 PolarHBondContact OD2-N 3.05Å; H212-T219 WeakPolarHBondContact O-CA 3.39Å
213	S	98	Very high	98	Very high	60 Å²	60	39.7 Å²	39.7	42%	0.42	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-123.7	134.3	-178.5	67.8	0	0	0	0	111.2	L218	S213-L218 WeakPolarHBondContact CA-O 3.41Å
214	D	96.9	Very high	98	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.032	21%	0.214	C	C	.	.			trans	-69.9	-178.3	175.9	82.2	-2.7	0	0	0	112.3	K185 M189 N216 G217 L218	K185-D214 WeakPolarHBondContact CE-OD2 3.45Å; K185-D214 HydrophobicContact CG-CB 3.79Å; M189-D214 HydrophobicContact CE-CB 4.47Å; M189-D214 HydrophobicContact SD-CB 4.22Å; D214-N216 PolarHBondContact O-N 3.2Å; D214-N216 WeakPolarHBondContact OD1-CA 3.36Å; D214-N216 WeakPolarHBondContact OD1-CB 3.35Å; D214-N216 PolarHBondContact OD1-N 2.86Å; D214-G217 PolarHBondContact O-N 3.39Å; D214-G217 PolarHBondContact OD1-N 3.47Å; D214-L218 PolarHBondContact N-O 2.85Å; D214-L218 WeakPolarHBondContact OD1-CB 3.43Å; D214-L218 PolarHBondContact OD1-N 3.34Å
215	K	96.4	Very high	97.9	Very high	137 Å²	137	37.9 Å²	37.9	60%	0.596	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.2	-179.1	-68.3	178.4	-178.5	177.6	0	114	S182 T183	S182-K215 WeakPolarHBondContact O-CE 3.42Å; S182-K215 PolarHBondContact O-NZ 3Å; T183-K215 WeakPolarHBondContact O-CB 3.27Å; T183-K215 WeakPolarHBondContact O-CG 3.43Å; T183-K215 PolarHBondContact O-N 3.32Å; T183-K215 VanDerWaalsContact O-N 3.14Å
216	N	96.5	Very high	97.8	Very high	73 Å²	73	33 Å²	33	39%	0.39	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.2	175.8	-57.1	-61.7	0	0	0	112.9	D214 L218 N248	D214-N216 PolarHBondContact O-N 3.2Å; D214-N216 WeakPolarHBondContact OD1-CA 3.36Å; D214-N216 WeakPolarHBondContact OD1-CB 3.35Å; D214-N216 PolarHBondContact OD1-N 2.86Å; N216-L218 VanDerWaalsContact C-N 3.28Å; N216-L218 HydrophobicContact CB-CD1 4.38Å; N216-L218 HydrophobicContact CB-CG 4.16Å; N216-N248 WeakPolarHBondContact O-CB 3.36Å; N216-N248 PolarHBondContact O-N 3.08Å
217	G	97.9	Very high	97.7	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	17%	0.173	C	C	.	.	S	Bend	trans	75.9	15.2	-176.2	0	0	0	0	0	113.3	D214 N248	D214-G217 PolarHBondContact O-N 3.39Å; D214-G217 PolarHBondContact OD1-N 3.47Å; G217-N248 PolarHBondContact N-ND2 3.15Å
218	L	98.4	Very high	97.7	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	16%	0.159	C	C	.	.			trans	-84.6	122.1	179.2	-58.3	175.9	0	0	0	110	M189 S213 D214 N216 H222 I223 D247	M189-L218 WeakPolarHBondContact CE-O 3.4Å; S213-L218 WeakPolarHBondContact CA-O 3.41Å; D214-L218 PolarHBondContact N-O 2.85Å; D214-L218 WeakPolarHBondContact OD1-CB 3.43Å; D214-L218 PolarHBondContact OD1-N 3.34Å; N216-L218 VanDerWaalsContact C-N 3.28Å; N216-L218 HydrophobicContact CB-CD1 4.38Å; N216-L218 HydrophobicContact CB-CG 4.16Å; L218-H222 HydrophobicContact CB-CB 4.14Å; L218-H222 HydrophobicContact CD2-CB 3.92Å; L218-I223 HydrophobicContact CB-CD1 4.06Å; L218-I223 HydrophobicContact CB-CG1 4.39Å; L218-I223 HydrophobicContact CD1-CD1 4Å; L218-D247 HydrophobicContact CD2-CB 3.66Å
219	T	98.6	Very high	97.6	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-84.9	167.2	171.8	65.3	0	0	0	0	111.8	H212 L221 H222 I223 A245	H212-T219 WeakPolarHBondContact O-CA 3.39Å; T219-L221 PolarHBondContact O-N 3.19Å; T219-L221 VanDerWaalsContact O-N 3.07Å; T219-H222 PolarHBondContact N-ND1 3.36Å; T219-H222 WeakPolarHBondContact O-CB 3.46Å; T219-H222 PolarHBondContact O-N 2.96Å; T219-H222 PolarHBondContact OG1-ND1 3.23Å; T219-I223 WeakPolarHBondContact O-CG1 3.36Å; T219-I223 PolarHBondContact O-N 2.99Å; T219-I223 VanDerWaalsContact O-N 3.09Å; T219-A245 HydrophobicContact CG2-CB 3.9Å
220	A	98.6	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-52.3	-32.7	173.9	0	0	0	0	0	112.8	I188 M189 A192 I223 A224 L236	I188-A220 HydrophobicContact CG2-CB 4.32Å; M189-A220 HydrophobicContact CG-CB 4.25Å; A192-A220 HydrophobicContact CB-CB 4.41Å; A220-I223 PolarHBondContact O-N 3.35Å; A220-A224 WeakPolarHBondContact O-CB 3.4Å; A220-A224 PolarHBondContact O-N 3.5Å; A220-L236 HydrophobicContact CB-CD1 4.1Å; A220-L236 HydrophobicContact CB-CD2 3.79Å; A220-L236 WeakPolarHBondContact O-CD1 3.24Å
221	L	98.6	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-41	176.6	-177.2	59.1	0	0	0	112.7	T219 I223 A224 V225 I233 L236 V237 L243 P254 L273	T219-L221 PolarHBondContact O-N 3.19Å; T219-L221 VanDerWaalsContact O-N 3.07Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 PolarHBondContact O-N 3.4Å; L221-A224 PolarHBondContact O-N 2.74Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.88Å; L221-I233 HydrophobicContact CD1-CB 4.26Å; L221-I233 HydrophobicContact CD1-CG1 4.05Å; L221-I233 HydrophobicContact CD1-CG2 3.95Å; L221-L236 HydrophobicContact CB-CD1 4.42Å; L221-L236 HydrophobicContact CD1-CD1 4.49Å; L221-V237 HydrophobicContact CD1-CG2 4.23Å; L221-V237 HydrophobicContact CD2-CG2 4.3Å; L221-L243 HydrophobicContact CD2-CD2 4.11Å; L221-P254 HydrophobicContact CB-CG 4.38Å; L221-P254 HydrophobicContact CD2-CB 4.22Å; L221-P254 HydrophobicContact CD2-CG 3.63Å; L221-P254 HydrophobicContact CG-CB 3.99Å; L221-P254 HydrophobicContact CG-CG 3.66Å; L221-L273 HydrophobicContact CD1-CD2 4.31Å
222	H	98.4	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-41.4	171.9	-67.8	95.5	0	0	0	111.4	L218 T219 V225 D226 A245 W252 P254 R257	L218-H222 HydrophobicContact CB-CB 4.14Å; L218-H222 HydrophobicContact CD2-CB 3.92Å; T219-H222 PolarHBondContact N-ND1 3.36Å; T219-H222 WeakPolarHBondContact O-CB 3.46Å; T219-H222 PolarHBondContact O-N 2.96Å; T219-H222 PolarHBondContact OG1-ND1 3.23Å; H222-V225 WeakPolarHBondContact O-CB 3.13Å; H222-V225 PolarHBondContact O-N 3.24Å; H222-D226 PolarHBondContact O-N 2.78Å; H222-D226 VanDerWaalsContact O-N 3.15Å; H222-A245 PolarHBondContact CE1-O 3.45Å; H222-A245 PolarHBondContact NE2-O 2.85Å; H222-W252 PolarHBondContact NE2-O 3.37Å; H222-P254 WeakPolarHBondContact NE2-CD 3.36Å; H222-R257 VanDerWaalsContact C-NH1 3.29Å; H222-R257 PolarHBondContact O-NH1 3.21Å
223	I	98.2	Very high	97.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-69.8	-37.1	-178.3	-61	-62.5	0	0	0	111.5	M189 F193 L218 T219 A220 L221 V225 D226 G227	M189-I223 HydrophobicContact CB-CG1 4.44Å; M189-I223 WeakPolarHBondContact O-CG2 3.48Å; F193-I223 HydrophobicContact CB-CG2 3.55Å; F193-I223 HydrophobicContact CD2-CG2 4.15Å; F193-I223 HydrophobicContact CG-CG2 4.3Å; L218-I223 HydrophobicContact CB-CD1 4.06Å; L218-I223 HydrophobicContact CB-CG1 4.39Å; L218-I223 HydrophobicContact CD1-CD1 4Å; T219-I223 WeakPolarHBondContact O-CG1 3.36Å; T219-I223 PolarHBondContact O-N 2.99Å; T219-I223 VanDerWaalsContact O-N 3.09Å; A220-I223 PolarHBondContact O-N 3.35Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 PolarHBondContact O-N 3.4Å; I223-V225 VanDerWaalsContact C-N 3.27Å; I223-V225 PolarHBondContact O-N 2.96Å; I223-D226 PolarHBondContact O-N 2.8Å; I223-G227 PolarHBondContact O-N 2.8Å
224	A	98.2	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-33.8	171.9	0	0	0	0	0	112.6	A192 A220 L221 G227 E228 Q229 A232 I233 L236	A192-A224 HydrophobicContact CB-CB 4.23Å; A220-A224 WeakPolarHBondContact O-CB 3.4Å; A220-A224 PolarHBondContact O-N 3.5Å; L221-A224 PolarHBondContact O-N 2.74Å; A224-G227 PolarHBondContact O-N 3.4Å; A224-E228 PolarHBondContact O-N 3.22Å; A224-Q229 PolarHBondContact O-N 3.2Å; A224-A232 HydrophobicContact CB-CB 4Å; A224-I233 HydrophobicContact CB-CG1 3.83Å; A224-L236 HydrophobicContact CB-CD1 3.83Å
225	V	97.7	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-45.4	173.2	167.6	0	0	0	0	111.3	L221 H222 I223 G227 E228 I233 P254 C258 L261 V269 L273	L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.88Å; H222-V225 WeakPolarHBondContact O-CB 3.13Å; H222-V225 PolarHBondContact O-N 3.24Å; I223-V225 VanDerWaalsContact C-N 3.27Å; I223-V225 PolarHBondContact O-N 2.96Å; V225-G227 VanDerWaalsContact C-N 3.27Å; V225-G227 PolarHBondContact O-N 2.85Å; V225-E228 PolarHBondContact O-N 3.31Å; V225-I233 HydrophobicContact CG2-CD1 3.87Å; V225-I233 HydrophobicContact CG2-CG1 4.48Å; V225-P254 HydrophobicContact CG2-CB 4.03Å; V225-C258 HydrophobicContact CG1-CB 3.68Å; V225-L261 HydrophobicContact CG1-CD1 4.08Å; V225-L261 WeakPolarHBondContact O-CD1 3.41Å; V225-V269 HydrophobicContact CB-CG1 4.41Å; V225-V269 HydrophobicContact CG1-CG1 4.2Å; V225-V269 HydrophobicContact CG2-CG1 3.94Å; V225-L273 HydrophobicContact CG2-CD1 4Å
226	D	96.2	Very high	97.7	Very high	48 Å²	48	27.9 Å²	27.9	26%	0.257	13%	0.13	S	C	.	.	H	α-helix	trans	-61.1	-37.9	174.9	-80.4	-9.7	0	0	0	113.1	F193 H222 I223 E228 R257	F193-D226 HydrophobicContact CD2-CB 4.14Å; F193-D226 HydrophobicContact CE2-CB 3.97Å; H222-D226 PolarHBondContact O-N 2.78Å; H222-D226 VanDerWaalsContact O-N 3.15Å; I223-D226 PolarHBondContact O-N 2.8Å; D226-E228 PolarHBondContact O-N 2.83Å; D226-R257 IonicContact OD1-CZ 2.85Å; D226-R257 IonicContact OD1-NE 3.21Å; D226-R257 IonicContact OD1-NH1 3.07Å; D226-R257 PolarHBondContact OD1-NH1 3.16Å; D226-R257 IonicContact OD1-NH2 3.71Å; D226-R257 PolarHBondContact OD1-NH2 3.12Å; D226-R257 VanDerWaalsContact OD1-NH2 3.08Å; D226-R257 IonicContact OD2-CZ 3.96Å; D226-R257 IonicContact OD2-NH1 3.1Å; D226-R257 PolarHBondContact OD2-NH1 3.05Å; D226-R257 IonicContact OD2-NH2 3.83Å; D226-R257 PolarHBondContact OD2-NH2 2.99Å
227	G	96.1	Very high	97.8	Very high	14 Å²	14	25.7 Å²	25.7	14%	0.144	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.3	176.3	0	0	0	0	0	113.3	F193 I223 A224 V225 Q229	F193-G227 VanDerWaalsContact O-CA 3.24Å; F193-G227 WeakPolarHBondContact O-CA 3.29Å; I223-G227 PolarHBondContact O-N 2.8Å; A224-G227 PolarHBondContact O-N 3.4Å; V225-G227 VanDerWaalsContact C-N 3.27Å; V225-G227 PolarHBondContact O-N 2.85Å; G227-Q229 WeakPolarHBondContact O-CG 3.22Å; G227-Q229 PolarHBondContact O-NE2 3.06Å
228	E	96	Very high	97.8	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	48.5	-174.1	-58.9	-173.4	-124.8	0	0	112.5	A224 V225 D226 P230 L261 N263 N266	A224-E228 PolarHBondContact O-N 3.22Å; V225-E228 PolarHBondContact O-N 3.31Å; D226-E228 PolarHBondContact O-N 2.83Å; E228-P230 WeakPolarHBondContact O-CD 3.48Å; E228-L261 HydrophobicContact CG-CD1 4.32Å; E228-N263 PolarHBondContact OE1-ND2 2.87Å; E228-N266 HydrophobicContact CG-CB 4.4Å; E228-N266 WeakPolarHBondContact OE2-CB 3.43Å; E228-N266 PolarHBondContact OE2-ND2 2.94Å
229	Q	97	Very high	97.8	Very high	56 Å²	56	35 Å²	35	26%	0.262	16%	0.163	S	C	.	.			trans	-113.2	83.4	-170	-58.9	-59.9	-25.7	0	0	114.1	A224 G227 R231 A232 I233	A224-Q229 PolarHBondContact O-N 3.2Å; G227-Q229 WeakPolarHBondContact O-CG 3.22Å; G227-Q229 PolarHBondContact O-NE2 3.06Å; Q229-R231 VanDerWaalsContact C-N 3.28Å; Q229-R231 PolarHBondContact O-N 3.18Å; Q229-A232 HydrophobicContact CB-CB 3.68Å; Q229-A232 PolarHBondContact O-N 2.9Å; Q229-A232 VanDerWaalsContact O-N 3.14Å; Q229-I233 WeakPolarHBondContact O-CG1 3.37Å; Q229-I233 PolarHBondContact O-N 3.44Å
230	P	96.2	Very high	97.7	Very high	13 Å²	13	39 Å²	39	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-34.8	179.1	-26.3	32.7	0	0	0	114.7	E228 R234 E268 V269	E228-P230 WeakPolarHBondContact O-CD 3.48Å; P230-R234 WeakPolarHBondContact O-CG 3.43Å; P230-R234 PolarHBondContact O-N 2.9Å; P230-R234 VanDerWaalsContact O-N 3.07Å; P230-E268 HydrophobicContact CG-CB 4.45Å; P230-E268 HydrophobicContact CG-CG 3.86Å; P230-V269 HydrophobicContact CG-CG2 4.13Å
231	R	97.6	Very high	97.7	Very high	180 Å²	180	39.4 Å²	39.4	68%	0.679	19%	0.194	S	C	*	.	H	α-helix	trans	-67	-42.8	177.2	-73.6	179.8	-177.1	-163.3	2	111.9	I197 Q229 I233 R234 L235	I197-R231 HydrophobicContact CD1-CB 3.72Å; I197-R231 HydrophobicContact CG1-CB 4.07Å; Q229-R231 VanDerWaalsContact C-N 3.28Å; Q229-R231 PolarHBondContact O-N 3.18Å; R231-I233 VanDerWaalsContact C-N 3.34Å; R231-R234 PolarHBondContact O-N 2.98Å; R231-L235 PolarHBondContact O-N 3.09Å; R231-L235 VanDerWaalsContact O-N 3.11Å
232	A	98.5	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-42.1	176.9	0	0	0	0	0	110.7	I197 M200 A224 Q229 R234 L235 L236	I197-A232 HydrophobicContact CD1-CB 4.07Å; M200-A232 HydrophobicContact CE-CB 3.86Å; M200-A232 HydrophobicContact SD-CB 3.69Å; A224-A232 HydrophobicContact CB-CB 4Å; Q229-A232 HydrophobicContact CB-CB 3.68Å; Q229-A232 PolarHBondContact O-N 2.9Å; Q229-A232 VanDerWaalsContact O-N 3.14Å; A232-R234 PolarHBondContact O-N 3.35Å; A232-L235 PolarHBondContact O-N 3.11Å; A232-L236 WeakPolarHBondContact O-CB 3.41Å; A232-L236 VanDerWaalsContact O-CG 3.24Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.25Å
233	I	98.6	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-48.2	174.9	-68.9	169.7	0	0	0	111.3	L221 A224 V225 Q229 R231 L235 L236 V237 V269 E272 L273 L276	L221-I233 HydrophobicContact CD1-CB 4.26Å; L221-I233 HydrophobicContact CD1-CG1 4.05Å; L221-I233 HydrophobicContact CD1-CG2 3.95Å; A224-I233 HydrophobicContact CB-CG1 3.83Å; V225-I233 HydrophobicContact CG2-CD1 3.87Å; V225-I233 HydrophobicContact CG2-CG1 4.48Å; Q229-I233 WeakPolarHBondContact O-CG1 3.37Å; Q229-I233 PolarHBondContact O-N 3.44Å; R231-I233 VanDerWaalsContact C-N 3.34Å; I233-L235 VanDerWaalsContact C-N 3.35Å; I233-L235 PolarHBondContact O-N 3.19Å; I233-L236 PolarHBondContact O-N 3.01Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.33Å; I233-V269 HydrophobicContact CD1-CB 4.37Å; I233-V269 HydrophobicContact CD1-CG1 3.56Å; I233-V269 HydrophobicContact CD1-CG2 4.28Å; I233-E272 HydrophobicContact CG2-CG 4.28Å; I233-L273 HydrophobicContact CG2-CD2 3.82Å; I233-L273 HydrophobicContact CG2-CG 4.38Å; I233-L276 HydrophobicContact CG2-CD1 3.86Å
234	R	98.3	Very high	97.7	Very high	89 Å²	89	47.1 Å²	47.1	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-58.7	-45.1	177.2	-76.8	-170.7	-69.1	-93.3	2.6	112.5	P230 R231 A232 K238 E272 L276	P230-R234 WeakPolarHBondContact O-CG 3.43Å; P230-R234 PolarHBondContact O-N 2.9Å; P230-R234 VanDerWaalsContact O-N 3.07Å; R231-R234 PolarHBondContact O-N 2.98Å; A232-R234 PolarHBondContact O-N 3.35Å; R234-K238 VanDerWaalsContact O-CB 3.28Å; R234-K238 WeakPolarHBondContact O-CB 3.46Å; R234-K238 PolarHBondContact O-N 3.34Å; R234-E272 WeakPolarHBondContact CD-OE1 3.39Å; R234-E272 VanDerWaalsContact CG-CD 3.41Å; R234-E272 HydrophobicContact CG-CG 3.66Å; R234-E272 WeakPolarHBondContact CG-OE1 3.29Å; R234-E272 IonicContact CZ-OE2 2.72Å; R234-E272 VanDerWaalsContact NH1-CD 3.32Å; R234-E272 IonicContact NH1-OE1 3.79Å; R234-E272 IonicContact NH1-OE2 3.91Å; R234-E272 PolarHBondContact NH1-OE2 3.34Å; R234-L276 HydrophobicContact CG-CD1 4.38Å
235	L	98.5	Very high	97.7	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-49	179.5	178.1	60.8	0	0	0	111.2	I197 M200 E201 L204 R231 A232 I233 V237 K238 S239	I197-L235 HydrophobicContact CG2-CD2 4.05Å; M200-L235 HydrophobicContact CB-CD2 3.61Å; M200-L235 HydrophobicContact CE-CD2 4.14Å; M200-L235 HydrophobicContact SD-CD2 4.47Å; E201-L235 HydrophobicContact CG-CD1 4.15Å; E201-L235 HydrophobicContact CG-CD2 3.7Å; L204-L235 HydrophobicContact CD1-CD1 4.26Å; L204-L235 HydrophobicContact CD1-CD2 4.23Å; L204-L235 HydrophobicContact CD1-CG 4.05Å; R231-L235 PolarHBondContact O-N 3.09Å; R231-L235 VanDerWaalsContact O-N 3.11Å; A232-L235 PolarHBondContact O-N 3.11Å; I233-L235 VanDerWaalsContact C-N 3.35Å; I233-L235 PolarHBondContact O-N 3.19Å; L235-V237 PolarHBondContact O-N 3.37Å; L235-K238 WeakPolarHBondContact O-CB 3.43Å; L235-K238 PolarHBondContact O-N 3.07Å; L235-S239 PolarHBondContact O-N 3.01Å; L235-S239 PolarHBondContact O-OG 2.91Å; L235-S239 VanDerWaalsContact O-OG 3.11Å
236	L	98.6	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-46.5	-179.8	-72.5	170.4	0	0	0	112.2	I188 A192 M200 V210 A220 L221 A224 A232 I233 S239 S240 S241	I188-L236 HydrophobicContact CD1-CD2 4.12Å; A192-L236 HydrophobicContact CB-CD1 4.23Å; M200-L236 HydrophobicContact CE-CD1 3.94Å; M200-L236 HydrophobicContact CE-CD2 3.68Å; M200-L236 HydrophobicContact CE-CG 3.53Å; V210-L236 HydrophobicContact CG2-CB 4.45Å; V210-L236 HydrophobicContact CG2-CD2 3.51Å; A220-L236 HydrophobicContact CB-CD1 4.1Å; A220-L236 HydrophobicContact CB-CD2 3.79Å; A220-L236 WeakPolarHBondContact O-CD1 3.24Å; L221-L236 HydrophobicContact CB-CD1 4.42Å; L221-L236 HydrophobicContact CD1-CD1 4.49Å; A224-L236 HydrophobicContact CB-CD1 3.83Å; A232-L236 WeakPolarHBondContact O-CB 3.41Å; A232-L236 VanDerWaalsContact O-CG 3.24Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.25Å; I233-L236 PolarHBondContact O-N 3.01Å; L236-S239 CarbonylContact O-C 3.47Å; L236-S239 WeakPolarHBondContact O-CA 3.41Å; L236-S239 PolarHBondContact O-N 3.45Å; L236-S239 VanDerWaalsContact O-N 3.1Å; L236-S240 PolarHBondContact O-N 2.99Å; L236-S241 WeakPolarHBondContact CB-OG 3.49Å; L236-S241 VanDerWaalsContact O-CB 3.31Å; L236-S241 WeakPolarHBondContact O-CB 3.39Å; L236-S241 PolarHBondContact O-N 3.35Å; L236-S241 PolarHBondContact O-OG 3.28Å; L236-S241 VanDerWaalsContact O-OG 3.1Å
237	V	98.1	Very high	97.8	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-38.4	178.2	176.9	0	0	0	0	111.6	L221 I233 L235 S239 S240 L243 L276	L221-V237 HydrophobicContact CD1-CG2 4.23Å; L221-V237 HydrophobicContact CD2-CG2 4.3Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.33Å; L235-V237 PolarHBondContact O-N 3.37Å; V237-S239 PolarHBondContact O-N 3.22Å; V237-S240 PolarHBondContact O-N 3.05Å; V237-L243 HydrophobicContact CG1-CD1 4.12Å; V237-L243 HydrophobicContact CG1-CD2 4.48Å; V237-L243 HydrophobicContact CG1-CG 4.29Å; V237-L243 HydrophobicContact CG2-CD2 3.6Å; V237-L243 HydrophobicContact CG2-CG 4.02Å; V237-L276 HydrophobicContact CB-CD1 4.01Å; V237-L276 HydrophobicContact CB-CD2 4.49Å; V237-L276 HydrophobicContact CG1-CB 4.22Å; V237-L276 HydrophobicContact CG1-CD1 4.27Å; V237-L276 HydrophobicContact CG1-CD2 4.12Å; V237-L276 HydrophobicContact CG1-CG 4.44Å; V237-L276 HydrophobicContact CG2-CD1 3.92Å
238	K	97.9	Very high	97.8	Very high	176 Å²	176	54.9 Å²	54.9	77%	0.765	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-32.3	171.7	-176.3	-174.6	174.4	-166.7	0	111.6	R234 L235 S240	R234-K238 VanDerWaalsContact O-CB 3.28Å; R234-K238 WeakPolarHBondContact O-CB 3.46Å; R234-K238 PolarHBondContact O-N 3.34Å; L235-K238 WeakPolarHBondContact O-CB 3.43Å; L235-K238 PolarHBondContact O-N 3.07Å; K238-S240 PolarHBondContact O-N 3.25Å
239	S	97.9	Very high	97.8	Very high	38 Å²	38	56.6 Å²	56.6	27%	0.266	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	16.2	175.3	-57.9	0	0	0	0	113.9	L204 V210 L235 L236 V237	L204-S239 VanDerWaalsContact CD1-OG 3.29Å; L204-S239 WeakPolarHBondContact CD1-OG 3.3Å; V210-S239 WeakPolarHBondContact CG1-O 3.48Å; L235-S239 PolarHBondContact O-N 3.01Å; L235-S239 PolarHBondContact O-OG 2.91Å; L235-S239 VanDerWaalsContact O-OG 3.11Å; L236-S239 CarbonylContact O-C 3.47Å; L236-S239 WeakPolarHBondContact O-CA 3.41Å; L236-S239 PolarHBondContact O-N 3.45Å; L236-S239 VanDerWaalsContact O-N 3.1Å; V237-S239 PolarHBondContact O-N 3.22Å
240	S	97.2	Very high	97.7	Very high	92 Å²	92	57 Å²	57	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	31.8	177.5	-47.1	0	0	0	0	115.7	N211 L236 V237 K238	N211-S240 PolarHBondContact ND2-O 3.35Å; N211-S240 VanDerWaalsContact ND2-O 3.15Å; L236-S240 PolarHBondContact O-N 2.99Å; V237-S240 PolarHBondContact O-N 3.05Å; K238-S240 PolarHBondContact O-N 3.25Å
241	S	97.7	Very high	97.7	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.063	28%	0.279	C	S	.	.			trans	-61.6	138.2	164.5	-73.6	0	0	0	0	112.4	V210 N211 L236 L243	V210-S241 WeakPolarHBondContact CG2-OG 3.44Å; N211-S241 WeakPolarHBondContact OD1-CA 3.35Å; L236-S241 WeakPolarHBondContact CB-OG 3.49Å; L236-S241 VanDerWaalsContact O-CB 3.31Å; L236-S241 WeakPolarHBondContact O-CB 3.39Å; L236-S241 PolarHBondContact O-N 3.35Å; L236-S241 PolarHBondContact O-OG 3.28Å; L236-S241 VanDerWaalsContact O-OG 3.1Å; S241-L243 PolarHBondContact O-N 2.91Å; S241-L243 VanDerWaalsContact O-N 3.17Å
242	N	98.1	Very high	97.8	Very high	81 Å²	81	50.6 Å²	50.6	43%	0.433	26%	0.257	S	S	.	.			trans	-71.1	106.6	172.3	-178.6	7.8	0	0	0	111.6	N211 E244 A245	N211-N242 PolarHBondContact OD1-N 3.08Å; N242-E244 PolarHBondContact O-N 3.33Å; N242-E244 WeakPolarHBondContact OD1-CA 3.03Å; N242-E244 PolarHBondContact OD1-N 3.45Å; N242-A245 HydrophobicContact CB-CB 4.18Å; N242-A245 PolarHBondContact ND2-N 3.28Å; N242-A245 WeakPolarHBondContact O-CB 3.39Å; N242-A245 PolarHBondContact O-N 3.33Å; N242-A245 PolarHBondContact OD1-N 3.18Å
243	L	98.1	Very high	97.7	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.5	174.8	-79.3	163.7	0	0	0	114	L221 V237 S241 P254 L273 L276 A278	L221-L243 HydrophobicContact CD2-CD2 4.11Å; V237-L243 HydrophobicContact CG1-CD1 4.12Å; V237-L243 HydrophobicContact CG1-CD2 4.48Å; V237-L243 HydrophobicContact CG1-CG 4.29Å; V237-L243 HydrophobicContact CG2-CD2 3.6Å; V237-L243 HydrophobicContact CG2-CG 4.02Å; S241-L243 PolarHBondContact O-N 2.91Å; S241-L243 VanDerWaalsContact O-N 3.17Å; L243-P254 VanDerWaalsContact O-CD 3.29Å; L243-P254 WeakPolarHBondContact O-CD 3.17Å; L243-L273 HydrophobicContact CD2-CD2 4.02Å; L243-L276 HydrophobicContact CD1-CB 4.38Å; L243-L276 WeakPolarHBondContact CD1-O 3.31Å; L243-L276 HydrophobicContact CD2-CB 4.38Å; L243-A278 HydrophobicContact CD2-CB 4.32Å
244	E	98.4	Very high	97.7	Very high	60 Å²	60	50.6 Å²	50.6	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	16.7	-176.4	-55.4	-55.9	138.9	0	0	112.3	N242 K246 N279	N242-E244 PolarHBondContact O-N 3.33Å; N242-E244 WeakPolarHBondContact OD1-CA 3.03Å; N242-E244 PolarHBondContact OD1-N 3.45Å; E244-K246 PolarHBondContact O-N 3.39Å; E244-N279 PolarHBondContact OE1-N 3.04Å
245	A	98.4	Very high	97.7	Very high	11 Å²	11	46.7 Å²	46.7	9%	0.091	24%	0.243	C	C	.	.			trans	-55.4	138.4	171.1	0	0	0	0	0	109.5	T219 H222 N242 T253 P254	T219-A245 HydrophobicContact CG2-CB 3.9Å; H222-A245 PolarHBondContact CE1-O 3.45Å; H222-A245 PolarHBondContact NE2-O 2.85Å; N242-A245 HydrophobicContact CB-CB 4.18Å; N242-A245 PolarHBondContact ND2-N 3.28Å; N242-A245 WeakPolarHBondContact O-CB 3.39Å; N242-A245 PolarHBondContact O-N 3.33Å; N242-A245 PolarHBondContact OD1-N 3.18Å; A245-T253 WeakPolarHBondContact O-CA 3.49Å; A245-P254 WeakPolarHBondContact O-CD 3.44Å
246	K	98.3	Very high	97.6	Very high	118 Å²	118	45.7 Å²	45.7	51%	0.513	24%	0.238	S	C	.	.			trans	-115.3	131.8	-177.2	-67.1	-167.9	180	-163.5	0	110.5	E244 W252 T253 Q283	E244-K246 PolarHBondContact O-N 3.39Å; K246-W252 WeakPolarHBondContact CA-O 3.47Å; K246-T253 HydrophobicContact CG-CG2 4.19Å; K246-Q283 PolarHBondContact NZ-O 3.5Å
247	D	97.9	Very high	97.5	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	24%	0.244	C	C	.	.			trans	-65.3	160.8	171.9	87.6	-28.2	0	0	0	112.6	L218 N249 L250 G251 W252	L218-D247 HydrophobicContact CD2-CB 3.66Å; D247-N249 VanDerWaalsContact C-N 3.28Å; D247-N249 PolarHBondContact O-N 3Å; D247-N249 WeakPolarHBondContact OD2-CB 3.36Å; D247-L250 PolarHBondContact OD1-N 3.35Å; D247-L250 VanDerWaalsContact OD1-N 3.15Å; D247-G251 WeakPolarHBondContact O-CA 3.22Å; D247-G251 PolarHBondContact O-N 3.32Å; D247-G251 WeakPolarHBondContact OD1-CA 3.42Å; D247-G251 PolarHBondContact OD1-N 3.37Å; D247-W252 PolarHBondContact N-O 2.88Å; D247-W252 PolarHBondContact OD1-N 3.38Å
248	N	97.5	Very high	97.4	Very high	89 Å²	89	46 Å²	46	48%	0.476	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.2	-177.7	-70.4	-18.2	0	0	0	112.9	N216 G217 R285	N216-N248 WeakPolarHBondContact O-CB 3.36Å; N216-N248 PolarHBondContact O-N 3.08Å; G217-N248 PolarHBondContact N-ND2 3.15Å; N248-R285 PolarHBondContact O-NH1 3.12Å; N248-R285 PolarHBondContact O-NH2 2.93Å
249	N	94.7	Very high	97.2	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-76.4	-172.8	-62.4	-36.9	0	0	0	111.4	D247 R285	D247-N249 VanDerWaalsContact C-N 3.28Å; D247-N249 PolarHBondContact O-N 3Å; D247-N249 WeakPolarHBondContact OD2-CB 3.36Å; N249-R285 PolarHBondContact O-NH1 3.16Å
250	L	94.9	Very high	97	Very high	66 Å²	66	36.9 Å²	36.9	35%	0.346	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-3.2	-174.8	-68.6	170.9	0	0	0	112.1	D247 W252 D284 R285	D247-L250 PolarHBondContact OD1-N 3.35Å; D247-L250 VanDerWaalsContact OD1-N 3.15Å; L250-W252 VanDerWaalsContact C-N 3.32Å; L250-W252 HydrophobicContact CB-CD2 4.13Å; L250-W252 HydrophobicContact CB-CG 4.03Å; L250-W252 HydrophobicContact CD1-CD2 4.21Å; L250-W252 VanDerWaalsContact CD1-CE2 3.42Å; L250-W252 HydrophobicContact CD1-CH2 3.85Å; L250-W252 HydrophobicContact CD1-CZ2 3.24Å; L250-W252 HydrophobicContact CG-CZ2 4.48Å; L250-D284 WeakPolarHBondContact O-CB 3.35Å; L250-R285 WeakPolarHBondContact O-CB 3.38Å; L250-R285 VanDerWaalsContact O-CG 3.27Å; L250-R285 WeakPolarHBondContact O-CG 3.42Å; L250-R285 PolarHBondContact O-N 3.1Å
251	G	97.6	Very high	96.6	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	17%	0.172	C	C	.	.			trans	71.5	32.6	-172.6	0	0	0	0	0	111.5	D247	D247-G251 WeakPolarHBondContact O-CA 3.22Å; D247-G251 PolarHBondContact O-N 3.32Å; D247-G251 WeakPolarHBondContact OD1-CA 3.42Å; D247-G251 PolarHBondContact OD1-N 3.37Å
252	W	98	Very high	95.8	Very high	55 Å²	55	42.8 Å²	42.8	21%	0.208	21%	0.21	C	C	.	.			trans	-72.2	126.8	178.5	-74.9	-8.1	0	0	0	110.4	H222 K246 D247 L250 L256 R257 A260 D284	H222-W252 PolarHBondContact NE2-O 3.37Å; K246-W252 WeakPolarHBondContact CA-O 3.47Å; D247-W252 PolarHBondContact N-O 2.88Å; D247-W252 PolarHBondContact OD1-N 3.38Å; L250-W252 VanDerWaalsContact C-N 3.32Å; L250-W252 HydrophobicContact CB-CD2 4.13Å; L250-W252 HydrophobicContact CB-CG 4.03Å; L250-W252 HydrophobicContact CD1-CD2 4.21Å; L250-W252 VanDerWaalsContact CD1-CE2 3.42Å; L250-W252 HydrophobicContact CD1-CH2 3.85Å; L250-W252 HydrophobicContact CD1-CZ2 3.24Å; L250-W252 HydrophobicContact CG-CZ2 4.48Å; W252-L256 HydrophobicContact CB-CB 4.09Å; W252-L256 HydrophobicContact CG-CB 4.16Å; W252-R257 HydrophobicContact CB-CB 4.39Å; W252-R257 HydrophobicContact CE3-CB 4.39Å; W252-R257 HydrophobicContact CE3-CG 4.19Å; W252-A260 HydrophobicContact CE3-CB 4.47Å; W252-A260 HydrophobicContact CH2-CB 3.53Å; W252-A260 HydrophobicContact CZ2-CB 3.88Å; W252-A260 HydrophobicContact CZ3-CB 3.86Å; W252-D284 PolarHBondContact NE1-OD2 3.39Å
253	T	98.2	Very high	94.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.218	C	C	.	.			trans	-75.1	163.7	161.4	65.4	0	0	0	0	110.2	A245 K246 L255 L256 R257 A282	A245-T253 WeakPolarHBondContact O-CA 3.49Å; K246-T253 HydrophobicContact CG-CG2 4.19Å; T253-L255 PolarHBondContact O-N 3.16Å; T253-L255 VanDerWaalsContact O-N 3.16Å; T253-L256 HydrophobicContact CG2-CD1 4.18Å; T253-L256 WeakPolarHBondContact O-CB 3.45Å; T253-L256 PolarHBondContact O-N 3.36Å; T253-L256 WeakPolarHBondContact OG1-CG 3.33Å; T253-L256 PolarHBondContact OG1-N 2.97Å; T253-R257 WeakPolarHBondContact O-CB 3.44Å; T253-R257 PolarHBondContact O-N 3.38Å; T253-A282 HydrophobicContact CG2-CB 4.12Å
254	P	97.9	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-48.5	-39.6	172.1	-30.3	35	0	0	0	113.8	L221 H222 V225 L243 A245 C258 L273	L221-P254 HydrophobicContact CB-CG 4.38Å; L221-P254 HydrophobicContact CD2-CB 4.22Å; L221-P254 HydrophobicContact CD2-CG 3.63Å; L221-P254 HydrophobicContact CG-CB 3.99Å; L221-P254 HydrophobicContact CG-CG 3.66Å; H222-P254 WeakPolarHBondContact NE2-CD 3.36Å; V225-P254 HydrophobicContact CG2-CB 4.03Å; L243-P254 VanDerWaalsContact O-CD 3.29Å; L243-P254 WeakPolarHBondContact O-CD 3.17Å; A245-P254 WeakPolarHBondContact O-CD 3.44Å; P254-C258 WeakPolarHBondContact O-CB 3.48Å; P254-C258 PolarHBondContact O-N 2.88Å; P254-L273 HydrophobicContact CB-CD1 4.3Å; P254-L273 HydrophobicContact CB-CD2 4.12Å
255	L	97.8	Very high	91.7	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-71.3	-41.9	177.3	-176.7	62.4	0	0	0	112.6	T253 R257 C258 A259 A270 L273 I274 A278 A290	T253-L255 PolarHBondContact O-N 3.16Å; T253-L255 VanDerWaalsContact O-N 3.16Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.14Å; L255-C258 WeakPolarHBondContact O-CB 3.44Å; L255-C258 PolarHBondContact O-N 2.84Å; L255-A259 PolarHBondContact O-N 3.5Å; L255-A259 VanDerWaalsContact O-N 3.08Å; L255-A270 HydrophobicContact CD1-CB 4.1Å; L255-L273 HydrophobicContact CB-CD1 4.23Å; L255-L273 HydrophobicContact CD1-CB 4.38Å; L255-L273 HydrophobicContact CD1-CD1 4.22Å; L255-I274 HydrophobicContact CD1-CG1 4.39Å; L255-I274 HydrophobicContact CD2-CG1 4.22Å; L255-A278 HydrophobicContact CB-CB 4.49Å; L255-A278 HydrophobicContact CD2-CB 4.44Å; L255-A290 HydrophobicContact CD2-CB 4.45Å; L255-A290 HydrophobicContact CG-CB 4.1Å
256	L	97.4	Very high	90.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-42.5	174.1	-75.7	165	0	0	0	111.3	W252 T253 A259 A260 A282 D284 K288 T289	W252-L256 HydrophobicContact CB-CB 4.09Å; W252-L256 HydrophobicContact CG-CB 4.16Å; T253-L256 HydrophobicContact CG2-CD1 4.18Å; T253-L256 WeakPolarHBondContact O-CB 3.45Å; T253-L256 PolarHBondContact O-N 3.36Å; T253-L256 WeakPolarHBondContact OG1-CG 3.33Å; T253-L256 PolarHBondContact OG1-N 2.97Å; L256-A259 PolarHBondContact O-N 2.98Å; L256-A260 PolarHBondContact O-N 2.91Å; L256-A282 HydrophobicContact CD1-CB 4.36Å; L256-D284 HydrophobicContact CD1-CB 3.97Å; L256-K288 WeakPolarHBondContact CD2-O 3.44Å; L256-T289 VanDerWaalsContact CD2-C 3.42Å
257	R	95.9	Very high	90.7	Very high	32 Å²	32	40.3 Å²	40.3	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-43.5	176.9	-166.4	163.1	-163.6	-116.8	-6.4	112	H222 D226 W252 T253 L255 A259 A260 L261	H222-R257 VanDerWaalsContact C-NH1 3.29Å; H222-R257 PolarHBondContact O-NH1 3.21Å; D226-R257 IonicContact OD1-CZ 2.85Å; D226-R257 IonicContact OD1-NE 3.21Å; D226-R257 IonicContact OD1-NH1 3.07Å; D226-R257 PolarHBondContact OD1-NH1 3.16Å; D226-R257 IonicContact OD1-NH2 3.71Å; D226-R257 PolarHBondContact OD1-NH2 3.12Å; D226-R257 VanDerWaalsContact OD1-NH2 3.08Å; D226-R257 IonicContact OD2-CZ 3.96Å; D226-R257 IonicContact OD2-NH1 3.1Å; D226-R257 PolarHBondContact OD2-NH1 3.05Å; D226-R257 IonicContact OD2-NH2 3.83Å; D226-R257 PolarHBondContact OD2-NH2 2.99Å; W252-R257 HydrophobicContact CB-CB 4.39Å; W252-R257 HydrophobicContact CE3-CB 4.39Å; W252-R257 HydrophobicContact CE3-CG 4.19Å; T253-R257 WeakPolarHBondContact O-CB 3.44Å; T253-R257 PolarHBondContact O-N 3.38Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 3.14Å; R257-A259 VanDerWaalsContact C-N 3.28Å; R257-A259 PolarHBondContact O-N 3.29Å; R257-A260 PolarHBondContact O-N 3.18Å; R257-L261 PolarHBondContact O-N 3.04Å
258	C	95.7	Very high	90.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-42.9	173.4	179.6	0	0	0	0	111.8	V225 P254 L255 A260 L261 V269 L273	V225-C258 HydrophobicContact CG1-CB 3.68Å; P254-C258 WeakPolarHBondContact O-CB 3.48Å; P254-C258 PolarHBondContact O-N 2.88Å; L255-C258 WeakPolarHBondContact O-CB 3.44Å; L255-C258 PolarHBondContact O-N 2.84Å; C258-A260 PolarHBondContact O-N 2.86Å; C258-L261 PolarHBondContact O-N 3.11Å; C258-V269 HydrophobicContact CB-CG1 4.19Å; C258-L273 HydrophobicContact CB-CD1 4.3Å
259	A	94.5	Very high	90.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-22.8	179.1	0	0	0	0	0	113.5	L255 L256 R257 A290 N293 H299 L302	L255-A259 PolarHBondContact O-N 3.5Å; L255-A259 VanDerWaalsContact O-N 3.08Å; L256-A259 PolarHBondContact O-N 2.98Å; R257-A259 VanDerWaalsContact C-N 3.28Å; R257-A259 PolarHBondContact O-N 3.29Å; A259-A290 HydrophobicContact CB-CB 3.91Å; A259-A290 WeakPolarHBondContact CB-O 3.11Å; A259-N293 HydrophobicContact CB-CB 4.08Å; A259-H299 PolarHBondContact O-CE1 3.19Å; A259-H299 PolarHBondContact O-ND1 3.07Å; A259-H299 VanDerWaalsContact O-ND1 3.16Å; A259-L302 HydrophobicContact CB-CD2 3.87Å
260	A	92.3	Very high	90.5	Very high	23 Å²	23	36.8 Å²	36.8	19%	0.19	18%	0.182	C	C	.	.	H	α-helix	trans	-90	-5.8	179.5	0	0	0	0	0	114.4	W252 L256 R257 C258	W252-A260 HydrophobicContact CE3-CB 4.47Å; W252-A260 HydrophobicContact CH2-CB 3.53Å; W252-A260 HydrophobicContact CZ2-CB 3.88Å; W252-A260 HydrophobicContact CZ3-CB 3.86Å; L256-A260 PolarHBondContact O-N 2.91Å; R257-A260 PolarHBondContact O-N 3.18Å; C258-A260 PolarHBondContact O-N 2.86Å
261	L	90.2	Very high	90.6	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.136	19%	0.188	C	C	.	.			trans	-67.8	134.2	179.5	-64.5	178.2	0	0	0	111.8	V225 E228 R257 C258 N263 G265 H299	V225-L261 HydrophobicContact CG1-CD1 4.08Å; V225-L261 WeakPolarHBondContact O-CD1 3.41Å; E228-L261 HydrophobicContact CG-CD1 4.32Å; R257-L261 PolarHBondContact O-N 3.04Å; C258-L261 PolarHBondContact O-N 3.11Å; L261-N263 PolarHBondContact O-N 3.46Å; L261-N263 VanDerWaalsContact O-N 3.09Å; L261-G265 PolarHBondContact O-N 2.84Å; L261-H299 PolarHBondContact O-CE1 3.37Å; L261-H299 PolarHBondContact O-NE2 3.11Å
262	K	80.8	Confident	90.5	Very high	199 Å²	199	40.3 Å²	40.3	87%	0.865	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.3	-175.8	-66.3	-176.9	178.5	178.4	0	114.9	N264	K262-N264 PolarHBondContact O-N 2.84Å
263	N	77.4	Confident	90.5	Very high	110 Å²	110	37.7 Å²	37.7	59%	0.588	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	45.6	-174.1	-65.7	-17.6	0	0	0	113	E228 L261 G265	E228-N263 PolarHBondContact OE1-ND2 2.87Å; L261-N263 PolarHBondContact O-N 3.46Å; L261-N263 VanDerWaalsContact O-N 3.09Å; N263-G265 PolarHBondContact O-N 3.37Å
264	N	67.7	Low	90.5	Very high	67 Å²	67	38.9 Å²	38.9	36%	0.358	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	12.4	-177	-159.7	44.3	0	0	0	115	K262 H299	K262-N264 PolarHBondContact O-N 2.84Å; N264-H299 WeakPolarHBondContact CA-CD2 3.41Å; N264-H299 WeakPolarHBondContact O-CB 3.37Å; N264-H299 WeakPolarHBondContact OD1-CA 3.48Å
265	G	62.3	Low	90.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	22%	0.217	C	C	.	.			trans	59	105.2	-171.7	0	0	0	0	0	111.6	L261 N263 V267 H299	L261-G265 PolarHBondContact O-N 2.84Å; N263-G265 PolarHBondContact O-N 3.37Å; G265-V267 PolarHBondContact O-N 3.15Å; G265-H299 PolarHBondContact N-CE1 3.24Å; G265-H299 PolarHBondContact N-ND1 3.35Å
266	N	83	Confident	90.5	Very high	33 Å²	33	47.7 Å²	47.7	18%	0.176	23%	0.226	C	C	.	.			trans	-61	106.2	-171.5	-172.6	-34.6	0	0	0	111.7	E228 E268 V269 A270	E228-N266 HydrophobicContact CG-CB 4.4Å; E228-N266 WeakPolarHBondContact OE2-CB 3.43Å; E228-N266 PolarHBondContact OE2-ND2 2.94Å; N266-E268 PolarHBondContact O-N 3Å; N266-E268 WeakPolarHBondContact OD1-CA 3.46Å; N266-E268 WeakPolarHBondContact OD1-CB 3.45Å; N266-E268 PolarHBondContact OD1-N 3.35Å; N266-V269 HydrophobicContact CB-CB 4.03Å; N266-V269 HydrophobicContact CB-CG2 3.94Å; N266-V269 PolarHBondContact O-N 2.82Å; N266-V269 VanDerWaalsContact O-N 3.14Å; N266-V269 PolarHBondContact OD1-N 3.46Å; N266-A270 PolarHBondContact O-N 3.37Å
267	V	93	Very high	90.5	Very high	32 Å²	32	54.4 Å²	54.4	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-29.4	-177.8	-179.9	0	0	0	0	111.4	G265 R271 D301 L302 F305	G265-V267 PolarHBondContact O-N 3.15Å; V267-R271 WeakPolarHBondContact O-CB 3.43Å; V267-R271 PolarHBondContact O-N 2.88Å; V267-D301 HydrophobicContact CG2-CB 4.04Å; V267-L302 HydrophobicContact CG2-CB 4.25Å; V267-F305 HydrophobicContact CG1-CB 3.98Å; V267-F305 HydrophobicContact CG1-CD1 4.25Å; V267-F305 HydrophobicContact CG1-CD2 4.39Å; V267-F305 HydrophobicContact CG1-CG 3.93Å
268	E	93.7	Very high	90.6	Very high	118 Å²	118	53.3 Å²	53.3	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-69.1	-43.6	176.2	-168.2	179.4	171.9	0	0	111.5	P230 N266 R271 E272	P230-E268 HydrophobicContact CG-CB 4.45Å; P230-E268 HydrophobicContact CG-CG 3.86Å; N266-E268 PolarHBondContact O-N 3Å; N266-E268 WeakPolarHBondContact OD1-CA 3.46Å; N266-E268 WeakPolarHBondContact OD1-CB 3.45Å; N266-E268 PolarHBondContact OD1-N 3.35Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 3.15Å; E268-E272 PolarHBondContact O-N 3.11Å
269	V	95.9	Very high	90.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-48.4	174.5	169.3	0	0	0	0	110.9	V225 P230 I233 C258 N266 R271 E272 L273	V225-V269 HydrophobicContact CB-CG1 4.41Å; V225-V269 HydrophobicContact CG1-CG1 4.2Å; V225-V269 HydrophobicContact CG2-CG1 3.94Å; P230-V269 HydrophobicContact CG-CG2 4.13Å; I233-V269 HydrophobicContact CD1-CB 4.37Å; I233-V269 HydrophobicContact CD1-CG1 3.56Å; I233-V269 HydrophobicContact CD1-CG2 4.28Å; C258-V269 HydrophobicContact CB-CG1 4.19Å; N266-V269 HydrophobicContact CB-CB 4.03Å; N266-V269 HydrophobicContact CB-CG2 3.94Å; N266-V269 PolarHBondContact O-N 2.82Å; N266-V269 VanDerWaalsContact O-N 3.14Å; N266-V269 PolarHBondContact OD1-N 3.46Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 3.19Å; V269-E272 PolarHBondContact O-N 3.21Å; V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 WeakPolarHBondContact O-CG 3.41Å; V269-L273 PolarHBondContact O-N 3.43Å
270	A	96.3	Very high	90.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-40.6	176.5	0	0	0	0	0	111.7	L255 N266 L273 I274 L302 F305	L255-A270 HydrophobicContact CD1-CB 4.1Å; N266-A270 PolarHBondContact O-N 3.37Å; A270-L273 PolarHBondContact O-N 3.23Å; A270-I274 WeakPolarHBondContact O-CB 3.04Å; A270-I274 VanDerWaalsContact O-CG1 3.3Å; A270-I274 WeakPolarHBondContact O-CG1 3.31Å; A270-I274 PolarHBondContact O-N 2.85Å; A270-L302 HydrophobicContact CB-CD1 3.41Å; A270-L302 VanDerWaalsContact CB-CD1 3.41Å; A270-F305 HydrophobicContact CB-CD1 4.34Å; A270-F305 HydrophobicContact CB-CE1 4.2Å
271	R	96.2	Very high	91.2	Very high	127 Å²	127	59.3 Å²	59.3	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-43.9	176	-178	-171.5	-51.6	-74.4	-6	112	V267 E268 V269 K275 F305	V267-R271 WeakPolarHBondContact O-CB 3.43Å; V267-R271 PolarHBondContact O-N 2.88Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 3.15Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 3.19Å; R271-K275 WeakPolarHBondContact O-CB 3.49Å; R271-K275 PolarHBondContact O-N 3.21Å; R271-F305 VanDerWaalsContact CA-CZ 3.42Å; R271-F305 HydrophobicContact CB-CE1 4.05Å; R271-F305 HydrophobicContact CB-CE2 4.15Å; R271-F305 HydrophobicContact CB-CZ 3.63Å; R271-F305 HydrophobicContact CG-CE2 4.13Å; R271-F305 HydrophobicContact CG-CZ 3.9Å; R271-F305 VanDerWaalsContact NH1-CE2 3.29Å
272	E	97.3	Very high	91.6	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-44.6	178.9	-164.7	61	-136	0	0	111.4	I233 R234 E268 V269 I274 K275 L276	I233-E272 HydrophobicContact CG2-CG 4.28Å; R234-E272 WeakPolarHBondContact CD-OE1 3.39Å; R234-E272 VanDerWaalsContact CG-CD 3.41Å; R234-E272 HydrophobicContact CG-CG 3.66Å; R234-E272 WeakPolarHBondContact CG-OE1 3.29Å; R234-E272 IonicContact CZ-OE2 2.72Å; R234-E272 VanDerWaalsContact NH1-CD 3.32Å; R234-E272 IonicContact NH1-OE1 3.79Å; R234-E272 IonicContact NH1-OE2 3.91Å; R234-E272 PolarHBondContact NH1-OE2 3.34Å; E268-E272 PolarHBondContact O-N 3.11Å; V269-E272 PolarHBondContact O-N 3.21Å; E272-I274 PolarHBondContact O-N 3.2Å; E272-K275 PolarHBondContact O-N 3.08Å; E272-L276 HydrophobicContact CG-CD1 3.97Å; E272-L276 WeakPolarHBondContact O-CB 3.43Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.47Å; E272-L276 PolarHBondContact O-N 3.1Å
273	L	97.9	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-47.1	176.2	-71.5	169.8	0	0	0	112	L221 V225 I233 L243 P254 L255 C258 V269 A270 L276 N277 A278	L221-L273 HydrophobicContact CD1-CD2 4.31Å; V225-L273 HydrophobicContact CG2-CD1 4Å; I233-L273 HydrophobicContact CG2-CD2 3.82Å; I233-L273 HydrophobicContact CG2-CG 4.38Å; L243-L273 HydrophobicContact CD2-CD2 4.02Å; P254-L273 HydrophobicContact CB-CD1 4.3Å; P254-L273 HydrophobicContact CB-CD2 4.12Å; L255-L273 HydrophobicContact CB-CD1 4.23Å; L255-L273 HydrophobicContact CD1-CB 4.38Å; L255-L273 HydrophobicContact CD1-CD1 4.22Å; C258-L273 HydrophobicContact CB-CD1 4.3Å; V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 WeakPolarHBondContact O-CG 3.41Å; V269-L273 PolarHBondContact O-N 3.43Å; A270-L273 PolarHBondContact O-N 3.23Å; L273-L276 CarbonylContact O-C 3.59Å; L273-L276 PolarHBondContact O-N 3.16Å; L273-L276 VanDerWaalsContact O-N 3.16Å; L273-N277 PolarHBondContact O-N 3.06Å; L273-A278 HydrophobicContact CB-CB 3.97Å; L273-A278 WeakPolarHBondContact O-CB 3.5Å; L273-A278 PolarHBondContact O-N 3.1Å
274	I	97.8	Very high	93.3	Very high	26 Å²	26	47.7 Å²	47.7	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-40.1	178.8	-67.5	176.3	0	0	0	111.2	L255 A270 E272 L276 N277 I280 F305 L306 N309	L255-I274 HydrophobicContact CD1-CG1 4.39Å; L255-I274 HydrophobicContact CD2-CG1 4.22Å; A270-I274 WeakPolarHBondContact O-CB 3.04Å; A270-I274 VanDerWaalsContact O-CG1 3.3Å; A270-I274 WeakPolarHBondContact O-CG1 3.31Å; A270-I274 PolarHBondContact O-N 2.85Å; E272-I274 PolarHBondContact O-N 3.2Å; I274-L276 PolarHBondContact O-N 2.97Å; I274-N277 WeakPolarHBondContact O-CA 3.49Å; I274-N277 PolarHBondContact O-N 3.11Å; I274-I280 HydrophobicContact CD1-CD1 3.85Å; I274-I280 HydrophobicContact CD1-CG1 4.03Å; I274-F305 HydrophobicContact CD1-CD1 4.37Å; I274-F305 HydrophobicContact CD1-CE1 3.56Å; I274-F305 HydrophobicContact CD1-CZ 4.13Å; I274-L306 HydrophobicContact CD1-CD2 3.8Å; I274-N309 HydrophobicContact CG2-CB 4.49Å
275	K	97.6	Very high	94.8	Very high	147 Å²	147	51.5 Å²	51.5	64%	0.639	24%	0.244	S	C	*	.	H	α-helix	trans	-60.7	-32	174.2	-178.3	-175.1	173.7	-165.8	0	112	R271 E272 N277	R271-K275 WeakPolarHBondContact O-CB 3.49Å; R271-K275 PolarHBondContact O-N 3.21Å; E272-K275 PolarHBondContact O-N 3.08Å; K275-N277 PolarHBondContact O-N 3.33Å
276	L	97.9	Very high	96.4	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.225	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	9	174.8	-66.5	168.1	0	0	0	113.1	I233 R234 V237 L243 E272 L273 I274	I233-L276 HydrophobicContact CG2-CD1 3.86Å; R234-L276 HydrophobicContact CG-CD1 4.38Å; V237-L276 HydrophobicContact CB-CD1 4.01Å; V237-L276 HydrophobicContact CB-CD2 4.49Å; V237-L276 HydrophobicContact CG1-CB 4.22Å; V237-L276 HydrophobicContact CG1-CD1 4.27Å; V237-L276 HydrophobicContact CG1-CD2 4.12Å; V237-L276 HydrophobicContact CG1-CG 4.44Å; V237-L276 HydrophobicContact CG2-CD1 3.92Å; L243-L276 HydrophobicContact CD1-CB 4.38Å; L243-L276 WeakPolarHBondContact CD1-O 3.31Å; L243-L276 HydrophobicContact CD2-CB 4.38Å; E272-L276 HydrophobicContact CG-CD1 3.97Å; E272-L276 WeakPolarHBondContact O-CB 3.43Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.47Å; E272-L276 PolarHBondContact O-N 3.1Å; L273-L276 CarbonylContact O-C 3.59Å; L273-L276 PolarHBondContact O-N 3.16Å; L273-L276 VanDerWaalsContact O-N 3.16Å; I274-L276 PolarHBondContact O-N 2.97Å
277	N	97.1	Very high	97.1	Very high	143 Å²	143	53.1 Å²	53.1	77%	0.765	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	30.1	179.1	-49.9	-55.1	0	0	0	115.5	L273 I274 K275	L273-N277 PolarHBondContact O-N 3.06Å; I274-N277 WeakPolarHBondContact O-CA 3.49Å; I274-N277 PolarHBondContact O-N 3.11Å; K275-N277 PolarHBondContact O-N 3.33Å
278	A	98.1	Very high	97.3	Very high	8 Å²	8	53.6 Å²	53.6	7%	0.066	25%	0.253	C	S	.	.			trans	-59	139.3	165.6	0	0	0	0	0	110.7	L243 L255 L273 I280	L243-A278 HydrophobicContact CD2-CB 4.32Å; L255-A278 HydrophobicContact CB-CB 4.49Å; L255-A278 HydrophobicContact CD2-CB 4.44Å; L273-A278 HydrophobicContact CB-CB 3.97Å; L273-A278 WeakPolarHBondContact O-CB 3.5Å; L273-A278 PolarHBondContact O-N 3.1Å; A278-I280 PolarHBondContact O-N 3.45Å
279	N	98.3	Very high	97.5	Very high	83 Å²	83	48 Å²	48	44%	0.444	23%	0.227	S	C	.	.			trans	-68.7	105.7	178.8	179.3	8.2	0	0	0	110.8	E244 D281 A282	E244-N279 PolarHBondContact OE1-N 3.04Å; N279-D281 PolarHBondContact O-N 2.7Å; N279-D281 VanDerWaalsContact O-N 3.14Å; N279-D281 PolarHBondContact OD1-N 3.02Å; N279-A282 HydrophobicContact CB-CB 4.21Å; N279-A282 WeakPolarHBondContact O-CB 3.45Å; N279-A282 PolarHBondContact O-N 3.45Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 3.36Å
280	I	98	Very high	97.5	Very high	24 Å²	24	48.1 Å²	48.1	12%	0.123	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.5	-179.2	-160.8	172.7	0	0	0	113.4	I274 A278 L306 N309 A311	I274-I280 HydrophobicContact CD1-CD1 3.85Å; I274-I280 HydrophobicContact CD1-CG1 4.03Å; A278-I280 PolarHBondContact O-N 3.45Å; I280-L306 HydrophobicContact CD1-CD2 3.96Å; I280-L306 HydrophobicContact CG1-CD2 3.76Å; I280-N309 HydrophobicContact CD1-CB 3.88Å; I280-N309 WeakPolarHBondContact CD1-O 3.36Å; I280-A311 HydrophobicContact CD1-CB 3.72Å; I280-A311 HydrophobicContact CG1-CB 3.96Å
281	D	98.3	Very high	97.5	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.23	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	13.3	-175.2	-74.4	-27.7	0	0	0	112.8	N279 Q283 N312 L315	N279-D281 PolarHBondContact O-N 2.7Å; N279-D281 VanDerWaalsContact O-N 3.14Å; N279-D281 PolarHBondContact OD1-N 3.02Å; D281-Q283 PolarHBondContact O-N 3.11Å; D281-N312 WeakPolarHBondContact OD1-CB 3.29Å; D281-N312 PolarHBondContact OD1-N 2.91Å; D281-N312 VanDerWaalsContact OD2-CB 3.27Å; D281-N312 WeakPolarHBondContact OD2-CB 3.19Å; D281-L315 HydrophobicContact CB-CD1 3.71Å
282	A	98.2	Very high	97.4	Very high	8 Å²	8	42.2 Å²	42.2	7%	0.066	21%	0.205	C	C	.	.			trans	-54.2	135.6	173.5	0	0	0	0	0	110.9	T253 L256 N279 T289	T253-A282 HydrophobicContact CG2-CB 4.12Å; L256-A282 HydrophobicContact CD1-CB 4.36Å; N279-A282 HydrophobicContact CB-CB 4.21Å; N279-A282 WeakPolarHBondContact O-CB 3.45Å; N279-A282 PolarHBondContact O-N 3.45Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 3.36Å; A282-T289 WeakPolarHBondContact O-CA 3.12Å
283	Q	98	Very high	97.2	Very high	72 Å²	72	42.1 Å²	42.1	34%	0.336	21%	0.205	S	C	.	.			trans	-107.8	134.8	178.6	-69.8	-175.2	-67.7	0	0	111.4	K246 D281 G287 K288 T289 K316	K246-Q283 PolarHBondContact NZ-O 3.5Å; D281-Q283 PolarHBondContact O-N 3.11Å; Q283-G287 PolarHBondContact NE2-O 3.41Å; Q283-K288 WeakPolarHBondContact CA-O 3.46Å; Q283-T289 HydrophobicContact CG-CG2 3.77Å; Q283-K316 PolarHBondContact NE2-O 3.44Å
284	D	97.5	Very high	96.9	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.059	21%	0.205	C	C	.	.			trans	-75.5	-177.4	168.7	79	3.6	0	0	0	111.6	L250 W252 L256 D286 G287 K288	L250-D284 WeakPolarHBondContact O-CB 3.35Å; W252-D284 PolarHBondContact NE1-OD2 3.39Å; L256-D284 HydrophobicContact CD1-CB 3.97Å; D284-D286 PolarHBondContact O-N 2.95Å; D284-D286 WeakPolarHBondContact OD1-CA 3.39Å; D284-D286 WeakPolarHBondContact OD1-CB 3.36Å; D284-D286 PolarHBondContact OD1-N 3.23Å; D284-G287 PolarHBondContact O-N 3.4Å; D284-G287 PolarHBondContact OD1-N 3.43Å; D284-G287 VanDerWaalsContact OD1-N 3.15Å; D284-K288 PolarHBondContact N-O 3.07Å; D284-K288 WeakPolarHBondContact OD1-CB 3.42Å; D284-K288 PolarHBondContact OD1-N 3.05Å
285	R	97.9	Very high	96.6	Very high	147 Å²	147	40.9 Å²	40.9	56%	0.555	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.1	-179.4	-71.5	176.2	-176.6	177.6	2.5	113.8	N248 N249 L250 G287 N318	N248-R285 PolarHBondContact O-NH1 3.12Å; N248-R285 PolarHBondContact O-NH2 2.93Å; N249-R285 PolarHBondContact O-NH1 3.16Å; L250-R285 WeakPolarHBondContact O-CB 3.38Å; L250-R285 VanDerWaalsContact O-CG 3.27Å; L250-R285 WeakPolarHBondContact O-CG 3.42Å; L250-R285 PolarHBondContact O-N 3.1Å; R285-G287 VanDerWaalsContact C-N 3.32Å; R285-N318 PolarHBondContact O-ND2 3.16Å
286	D	96.2	Very high	96.2	Very high	66 Å²	66	37.2 Å²	37.2	35%	0.353	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.1	175.4	-68.1	-34.1	0	0	0	112.7	D284 K288 N318	D284-D286 PolarHBondContact O-N 2.95Å; D284-D286 WeakPolarHBondContact OD1-CA 3.39Å; D284-D286 WeakPolarHBondContact OD1-CB 3.36Å; D284-D286 PolarHBondContact OD1-N 3.23Å; D286-K288 HydrophobicContact CB-CD 4.44Å; D286-K288 HydrophobicContact CB-CG 4.09Å; D286-K288 VanDerWaalsContact CG-NZ 3.31Å; D286-K288 PolarHBondContact O-N 3.04Å; D286-K288 IonicContact OD2-NZ 3.25Å; D286-K288 PolarHBondContact OD2-NZ 3.41Å; D286-N318 WeakPolarHBondContact CA-ND2 3.42Å; D286-N318 PolarHBondContact O-N 3.31Å
287	G	97.5	Very high	95.8	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	72.4	12	-174.7	0	0	0	0	0	113.4	Q283 D284 R285	Q283-G287 PolarHBondContact NE2-O 3.41Å; D284-G287 PolarHBondContact O-N 3.4Å; D284-G287 PolarHBondContact OD1-N 3.43Å; D284-G287 VanDerWaalsContact OD1-N 3.15Å; R285-G287 VanDerWaalsContact C-N 3.32Å
288	K	97.1	Very high	95.3	Very high	42 Å²	42	33.6 Å²	33.6	18%	0.183	17%	0.171	C	C	.	.			trans	-79.3	140.2	178	-59.5	-179	-176	72.9	0	109.8	L256 Q283 D284 D286 H292 N293 L296 T317	L256-K288 WeakPolarHBondContact CD2-O 3.44Å; Q283-K288 WeakPolarHBondContact CA-O 3.46Å; D284-K288 PolarHBondContact N-O 3.07Å; D284-K288 WeakPolarHBondContact OD1-CB 3.42Å; D284-K288 PolarHBondContact OD1-N 3.05Å; D286-K288 HydrophobicContact CB-CD 4.44Å; D286-K288 HydrophobicContact CB-CG 4.09Å; D286-K288 VanDerWaalsContact CG-NZ 3.31Å; D286-K288 PolarHBondContact O-N 3.04Å; D286-K288 IonicContact OD2-NZ 3.25Å; D286-K288 PolarHBondContact OD2-NZ 3.41Å; K288-H292 HydrophobicContact CB-CB 4.04Å; K288-H292 HydrophobicContact CG-CB 4.44Å; K288-N293 WeakPolarHBondContact CD-OD1 3.17Å; K288-L296 HydrophobicContact CD-CD1 4.21Å; K288-T317 HydrophobicContact CB-CG2 4.47Å; K288-T317 HydrophobicContact CG-CG2 3.75Å
289	T	97.6	Very high	94.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.169	C	C	.	.			trans	-101.8	172.2	172.5	64.4	0	0	0	0	109.5	L256 A282 Q283 L291 H292 N293 L315	L256-T289 VanDerWaalsContact CD2-C 3.42Å; A282-T289 WeakPolarHBondContact O-CA 3.12Å; Q283-T289 HydrophobicContact CG-CG2 3.77Å; T289-L291 PolarHBondContact O-N 2.92Å; T289-L291 PolarHBondContact OG1-N 3.2Å; T289-H292 PolarHBondContact N-ND1 3.43Å; T289-H292 WeakPolarHBondContact O-CB 3.48Å; T289-H292 PolarHBondContact O-N 3.3Å; T289-H292 PolarHBondContact OG1-N 3.26Å; T289-H292 PolarHBondContact OG1-ND1 3.05Å; T289-N293 PolarHBondContact O-N 3Å; T289-L315 HydrophobicContact CG2-CB 4.27Å; T289-L315 HydrophobicContact CG2-CD1 3.73Å
290	A	96.4	Very high	94.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-37.3	173.2	0	0	0	0	0	111.9	L255 A259 N293 C294 L306	L255-A290 HydrophobicContact CD2-CB 4.45Å; L255-A290 HydrophobicContact CG-CB 4.1Å; A259-A290 HydrophobicContact CB-CB 3.91Å; A259-A290 WeakPolarHBondContact CB-O 3.11Å; A290-N293 PolarHBondContact O-N 2.82Å; A290-C294 WeakPolarHBondContact O-CB 3.3Å; A290-C294 PolarHBondContact O-N 3.23Å; A290-L306 HydrophobicContact CB-CD1 3.91Å; A290-L306 HydrophobicContact CB-CD2 4.39Å
291	L	95.7	Very high	94.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.7	-178.2	61.3	0	0	0	112.1	T289 N293 C294 I295 C303 L306 L307 A311 K313 A323	T289-L291 PolarHBondContact O-N 2.92Å; T289-L291 PolarHBondContact OG1-N 3.2Å; L291-N293 PolarHBondContact O-N 3.28Å; L291-C294 PolarHBondContact O-SG 3.11Å; L291-I295 HydrophobicContact CD1-CD1 4.04Å; L291-I295 HydrophobicContact CD1-CG1 4.39Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CD1 3.42Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.05Å; L291-I295 VanDerWaalsContact O-N 3.16Å; L291-C303 HydrophobicContact CD1-CB 4.22Å; L291-L306 HydrophobicContact CB-CD1 4.36Å; L291-L307 HydrophobicContact CD1-CD2 4.32Å; L291-L307 HydrophobicContact CD1-CG 4.17Å; L291-L307 HydrophobicContact CD2-CD2 3.9Å; L291-A311 HydrophobicContact CB-CB 4.49Å; L291-A311 HydrophobicContact CD2-CB 4.26Å; L291-K313 HydrophobicContact CD2-CB 4Å; L291-A323 HydrophobicContact CD2-CB 3.81Å; L291-A323 HydrophobicContact CG-CB 4.14Å
292	H	94.9	Very high	93.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-45.5	175.7	-65.8	110.8	0	0	0	111.7	K288 T289 I295 L296 L315 L326	K288-H292 HydrophobicContact CB-CB 4.04Å; K288-H292 HydrophobicContact CG-CB 4.44Å; T289-H292 PolarHBondContact N-ND1 3.43Å; T289-H292 WeakPolarHBondContact O-CB 3.48Å; T289-H292 PolarHBondContact O-N 3.3Å; T289-H292 PolarHBondContact OG1-N 3.26Å; T289-H292 PolarHBondContact OG1-ND1 3.05Å; H292-I295 PolarHBondContact O-N 2.99Å; H292-L296 WeakPolarHBondContact O-CG 3.34Å; H292-L296 PolarHBondContact O-N 3.22Å; H292-L296 VanDerWaalsContact O-N 3.11Å; H292-L315 PolarHBondContact CE1-O 3.46Å; H292-L315 PolarHBondContact NE2-O 2.98Å; H292-L315 VanDerWaalsContact NE2-O 3.08Å; H292-L326 HydrophobicContact CB-CD1 3.89Å; H292-L326 VanDerWaalsContact CD2-CD1 3.49Å; H292-L326 WeakPolarHBondContact CD2-CD1 3.09Å
293	N	93.1	Very high	93.5	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-42.3	-179.6	-72.4	-28.9	0	0	0	112.4	A259 K288 T289 A290 L291 I295 L296 L297	A259-N293 HydrophobicContact CB-CB 4.08Å; K288-N293 WeakPolarHBondContact CD-OD1 3.17Å; T289-N293 PolarHBondContact O-N 3Å; A290-N293 PolarHBondContact O-N 2.82Å; L291-N293 PolarHBondContact O-N 3.28Å; N293-I295 VanDerWaalsContact C-N 3.28Å; N293-I295 PolarHBondContact O-N 2.92Å; N293-L296 PolarHBondContact O-N 3.23Å; N293-L297 PolarHBondContact O-N 2.81Å; N293-L297 VanDerWaalsContact O-N 3.1Å
294	C	91.8	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-36.4	177.3	83.7	0	0	0	0	111.6	A290 L291 G298 H299 L302 C303	A290-C294 WeakPolarHBondContact O-CB 3.3Å; A290-C294 PolarHBondContact O-N 3.23Å; L291-C294 PolarHBondContact O-SG 3.11Å; C294-G298 PolarHBondContact O-N 3.23Å; C294-H299 HydrophobicContact CB-CB 3.96Å; C294-H299 PolarHBondContact O-N 3.44Å; C294-L302 HydrophobicContact CB-CB 4.34Å; C294-L302 HydrophobicContact CB-CD2 3.96Å; C294-L302 HydrophobicContact CB-CG 4.16Å; C294-C303 HydrophobicContact CB-CB 4.44Å; C294-C303 WeakPolarHBondContact CB-SG 3.06Å; C294-C303 WeakPolarHBondContact SG-CA 3.14Å; C294-C303 WeakPolarHBondContact SG-CB 3.5Å; C294-C303 CovalentContact SG-SG 2.06Å; C294-C303 PolarHBondContact SG-SG 2.95Å
295	I	90.9	Very high	93	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-68	-45.9	178.1	-69	166.3	0	0	0	110.7	L291 H292 N293 L297 G298 C303 A323 L326 I339 I343	L291-I295 HydrophobicContact CD1-CD1 4.04Å; L291-I295 HydrophobicContact CD1-CG1 4.39Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CD1 3.42Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.05Å; L291-I295 VanDerWaalsContact O-N 3.16Å; H292-I295 PolarHBondContact O-N 2.99Å; N293-I295 VanDerWaalsContact C-N 3.28Å; N293-I295 PolarHBondContact O-N 2.92Å; I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 2.99Å; I295-G298 PolarHBondContact O-N 3.14Å; I295-G298 VanDerWaalsContact O-N 3.15Å; I295-C303 PolarHBondContact N-SG 2.06Å; I295-C303 VanDerWaalsContact N-SG 3.44Å; I295-A323 HydrophobicContact CD1-CB 3.63Å; I295-L326 HydrophobicContact CG2-CB 3.91Å; I295-I339 HydrophobicContact CG1-CG2 4.16Å; I295-I343 HydrophobicContact CD1-CD1 3.64Å; I295-I343 HydrophobicContact CG1-CD1 4.35Å
296	L	90	Very high	92.9	Very high	70 Å²	70	24.5 Å²	24.5	37%	0.366	13%	0.127	S	C	.	.	H	α-helix	trans	-62	-34.3	179.7	-71.6	171.5	0	0	0	112.5	K288 H292 N293 L326 V330	K288-L296 HydrophobicContact CD-CD1 4.21Å; H292-L296 WeakPolarHBondContact O-CG 3.34Å; H292-L296 PolarHBondContact O-N 3.22Å; H292-L296 VanDerWaalsContact O-N 3.11Å; N293-L296 PolarHBondContact O-N 3.23Å; L296-L326 HydrophobicContact CD1-CD1 4.34Å; L296-L326 HydrophobicContact CD2-CD1 4.29Å; L296-L326 HydrophobicContact CD2-CD2 4.17Å; L296-L326 HydrophobicContact CG-CD1 4.12Å; L296-V330 HydrophobicContact CD2-CG2 4.14Å
297	L	88.9	Confident	92.8	Very high	91 Å²	91	22.6 Å²	22.6	48%	0.476	12%	0.116	S	C	.	.	H	α-helix	trans	-91.1	-4.5	178.1	-62.8	175.7	0	0	0	113.8	N293 I295 H299	N293-L297 PolarHBondContact O-N 2.81Å; N293-L297 VanDerWaalsContact O-N 3.1Å; I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 2.99Å; L297-H299 WeakPolarHBondContact CB-NE2 3.33Å; L297-H299 VanDerWaalsContact CD1-CE1 3.49Å; L297-H299 WeakPolarHBondContact CD1-CE1 3.35Å; L297-H299 PolarHBondContact O-CD2 3.38Å
298	G	87.8	Confident	92.7	Very high	19 Å²	19	28 Å²	28	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	27.8	179.2	0	0	0	0	0	114.4	C294 I295 I300	C294-G298 PolarHBondContact O-N 3.23Å; I295-G298 PolarHBondContact O-N 3.14Å; I295-G298 VanDerWaalsContact O-N 3.15Å; G298-I300 VanDerWaalsContact C-N 3.32Å; G298-I300 PolarHBondContact O-N 2.97Å
299	H	89.6	Confident	92.7	Very high	7 Å²	7	29 Å²	29	3%	0.032	15%	0.149	C	C	.	.			trans	-78.8	73.6	-179.4	-61.7	169.5	0	0	0	112	A259 L261 N264 G265 C294 L297 D301 L302 C303	A259-H299 PolarHBondContact O-CE1 3.19Å; A259-H299 PolarHBondContact O-ND1 3.07Å; A259-H299 VanDerWaalsContact O-ND1 3.16Å; L261-H299 PolarHBondContact O-CE1 3.37Å; L261-H299 PolarHBondContact O-NE2 3.11Å; N264-H299 WeakPolarHBondContact CA-CD2 3.41Å; N264-H299 WeakPolarHBondContact O-CB 3.37Å; N264-H299 WeakPolarHBondContact OD1-CA 3.48Å; G265-H299 PolarHBondContact N-CE1 3.24Å; G265-H299 PolarHBondContact N-ND1 3.35Å; C294-H299 HydrophobicContact CB-CB 3.96Å; C294-H299 PolarHBondContact O-N 3.44Å; L297-H299 WeakPolarHBondContact CB-NE2 3.33Å; L297-H299 VanDerWaalsContact CD1-CE1 3.49Å; L297-H299 WeakPolarHBondContact CD1-CE1 3.35Å; L297-H299 PolarHBondContact O-CD2 3.38Å; H299-D301 VanDerWaalsContact C-N 3.33Å; H299-D301 PolarHBondContact O-N 3.39Å; H299-L302 HydrophobicContact CB-CB 4.05Å; H299-L302 PolarHBondContact O-N 3.2Å; H299-C303 PolarHBondContact O-N 3.22Å; H299-C303 PolarHBondContact O-SG 2.78Å
300	I	87.8	Confident	92.5	Very high	41 Å²	41	35.8 Å²	35.8	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-54.9	-45.2	-170	-57.7	175	0	0	0	112.5	G298 C303 R304 K335 I339	G298-I300 VanDerWaalsContact C-N 3.32Å; G298-I300 PolarHBondContact O-N 2.97Å; I300-C303 PolarHBondContact O-N 2.89Å; I300-R304 WeakPolarHBondContact O-CB 3.4Å; I300-R304 PolarHBondContact O-N 3.02Å; I300-K335 WeakPolarHBondContact CD1-O 3.35Å; I300-I339 HydrophobicContact CB-CG1 4.48Å; I300-I339 HydrophobicContact CG1-CD1 3.97Å; I300-I339 HydrophobicContact CG1-CG1 3.96Å; I300-I339 HydrophobicContact CG2-CG1 4.44Å
301	D	90.5	Very high	92.5	Very high	68 Å²	68	36.1 Å²	36.1	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-72.5	-35.9	-175.3	-63.9	-46.7	0	0	0	112	V267 H299 R304 F305	V267-D301 HydrophobicContact CG2-CB 4.04Å; H299-D301 VanDerWaalsContact C-N 3.33Å; H299-D301 PolarHBondContact O-N 3.39Å; D301-R304 PolarHBondContact O-N 3.19Å; D301-R304 IonicContact OD1-CZ 2.95Å; D301-R304 VanDerWaalsContact OD1-CZ 3.25Å; D301-R304 IonicContact OD1-NH1 3.77Å; D301-R304 PolarHBondContact OD1-NH1 3.46Å; D301-R304 IonicContact OD1-NH2 2.78Å; D301-R304 PolarHBondContact OD1-NH2 2.94Å; D301-F305 WeakPolarHBondContact O-CB 3.22Å; D301-F305 PolarHBondContact O-N 2.86Å
302	L	93.1	Very high	92.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-44.1	172.7	-176.8	61.4	0	0	0	111.3	A259 V267 A270 C294 H299 R304 F305 L306	A259-L302 HydrophobicContact CB-CD2 3.87Å; V267-L302 HydrophobicContact CG2-CB 4.25Å; A270-L302 HydrophobicContact CB-CD1 3.41Å; A270-L302 VanDerWaalsContact CB-CD1 3.41Å; C294-L302 HydrophobicContact CB-CB 4.34Å; C294-L302 HydrophobicContact CB-CD2 3.96Å; C294-L302 HydrophobicContact CB-CG 4.16Å; H299-L302 HydrophobicContact CB-CB 4.05Å; H299-L302 PolarHBondContact O-N 3.2Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.25Å; L302-F305 HydrophobicContact CD1-CD1 4.33Å; L302-F305 PolarHBondContact O-N 2.96Å; L302-L306 HydrophobicContact CD1-CD1 4.37Å; L302-L306 HydrophobicContact CD1-CG 4.22Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.32Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 3.39Å
303	C	91.8	Very high	92.5	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-40.5	176.7	-60.9	0	0	0	0	111.7	L291 C294 I295 H299 I300 L306 L307	L291-C303 HydrophobicContact CD1-CB 4.22Å; C294-C303 HydrophobicContact CB-CB 4.44Å; C294-C303 WeakPolarHBondContact CB-SG 3.06Å; C294-C303 WeakPolarHBondContact SG-CA 3.14Å; C294-C303 WeakPolarHBondContact SG-CB 3.5Å; C294-C303 CovalentContact SG-SG 2.06Å; C294-C303 PolarHBondContact SG-SG 2.95Å; I295-C303 PolarHBondContact N-SG 2.06Å; I295-C303 VanDerWaalsContact N-SG 3.44Å; H299-C303 PolarHBondContact O-N 3.22Å; H299-C303 PolarHBondContact O-SG 2.78Å; I300-C303 PolarHBondContact O-N 2.89Å; C303-L306 PolarHBondContact O-N 2.91Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3Å; C303-L307 PolarHBondContact O-N 3.08Å
304	R	90.8	Very high	92.6	Very high	75 Å²	75	46 Å²	46	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-50.7	173.6	-175.8	-170.8	-52.8	124.4	17.8	110.9	I300 D301 L302 L306 L307 E308	I300-R304 WeakPolarHBondContact O-CB 3.4Å; I300-R304 PolarHBondContact O-N 3.02Å; D301-R304 PolarHBondContact O-N 3.19Å; D301-R304 IonicContact OD1-CZ 2.95Å; D301-R304 VanDerWaalsContact OD1-CZ 3.25Å; D301-R304 IonicContact OD1-NH1 3.77Å; D301-R304 PolarHBondContact OD1-NH1 3.46Å; D301-R304 IonicContact OD1-NH2 2.78Å; D301-R304 PolarHBondContact OD1-NH2 2.94Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.25Å; R304-L306 VanDerWaalsContact C-N 3.35Å; R304-L306 PolarHBondContact O-N 2.89Å; R304-L307 PolarHBondContact O-N 3.19Å; R304-E308 WeakPolarHBondContact CD-OE1 3.42Å; R304-E308 HydrophobicContact CG-CG 4.43Å; R304-E308 WeakPolarHBondContact CG-OE1 3.21Å; R304-E308 WeakPolarHBondContact O-CB 3.35Å; R304-E308 WeakPolarHBondContact O-CG 3.48Å; R304-E308 PolarHBondContact O-N 3.46Å
305	F	94.5	Very high	92.9	Very high	10 Å²	10	48 Å²	48	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-43.5	-179.2	173.9	-108.6	0	0	0	112.3	V267 A270 R271 I274 D301 L302 E308 N309	V267-F305 HydrophobicContact CG1-CB 3.98Å; V267-F305 HydrophobicContact CG1-CD1 4.25Å; V267-F305 HydrophobicContact CG1-CD2 4.39Å; V267-F305 HydrophobicContact CG1-CG 3.93Å; A270-F305 HydrophobicContact CB-CD1 4.34Å; A270-F305 HydrophobicContact CB-CE1 4.2Å; R271-F305 VanDerWaalsContact CA-CZ 3.42Å; R271-F305 HydrophobicContact CB-CE1 4.05Å; R271-F305 HydrophobicContact CB-CE2 4.15Å; R271-F305 HydrophobicContact CB-CZ 3.63Å; R271-F305 HydrophobicContact CG-CE2 4.13Å; R271-F305 HydrophobicContact CG-CZ 3.9Å; R271-F305 VanDerWaalsContact NH1-CE2 3.29Å; I274-F305 HydrophobicContact CD1-CD1 4.37Å; I274-F305 HydrophobicContact CD1-CE1 3.56Å; I274-F305 HydrophobicContact CD1-CZ 4.13Å; D301-F305 WeakPolarHBondContact O-CB 3.22Å; D301-F305 PolarHBondContact O-N 2.86Å; L302-F305 HydrophobicContact CD1-CD1 4.33Å; L302-F305 PolarHBondContact O-N 2.96Å; F305-E308 PolarHBondContact O-N 3.14Å; F305-N309 WeakPolarHBondContact CD2-ND2 3.28Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.38Å; F305-N309 PolarHBondContact O-N 3.05Å; F305-N309 VanDerWaalsContact O-N 3.11Å; F305-N309 PolarHBondContact O-ND2 3.17Å
306	L	95.5	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-44.6	177.5	-70.3	172.4	0	0	0	111.9	I274 I280 A290 L291 L302 C303 R304 N309 N310 A311	I274-L306 HydrophobicContact CD1-CD2 3.8Å; I280-L306 HydrophobicContact CD1-CD2 3.96Å; I280-L306 HydrophobicContact CG1-CD2 3.76Å; A290-L306 HydrophobicContact CB-CD1 3.91Å; A290-L306 HydrophobicContact CB-CD2 4.39Å; L291-L306 HydrophobicContact CB-CD1 4.36Å; L302-L306 HydrophobicContact CD1-CD1 4.37Å; L302-L306 HydrophobicContact CD1-CG 4.22Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.32Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 3.39Å; C303-L306 PolarHBondContact O-N 2.91Å; R304-L306 VanDerWaalsContact C-N 3.35Å; R304-L306 PolarHBondContact O-N 2.89Å; L306-N309 CarbonylContact O-C 3.37Å; L306-N309 PolarHBondContact O-N 2.8Å; L306-N309 VanDerWaalsContact O-N 3.12Å; L306-N310 PolarHBondContact O-N 3.41Å; L306-A311 HydrophobicContact CB-CB 3.91Å; L306-A311 WeakPolarHBondContact O-CB 3.47Å; L306-A311 PolarHBondContact O-N 3.01Å
307	L	94.6	Very high	93.4	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-39.6	176.9	-70	168.9	0	0	0	112.1	L291 C303 R304 N309 N310 K313 I343	L291-L307 HydrophobicContact CD1-CD2 4.32Å; L291-L307 HydrophobicContact CD1-CG 4.17Å; L291-L307 HydrophobicContact CD2-CD2 3.9Å; C303-L307 VanDerWaalsContact O-CG 3.29Å; C303-L307 WeakPolarHBondContact O-CG 3Å; C303-L307 PolarHBondContact O-N 3.08Å; R304-L307 PolarHBondContact O-N 3.19Å; L307-N309 PolarHBondContact O-N 2.84Å; L307-N310 PolarHBondContact O-N 3.15Å; L307-N310 VanDerWaalsContact O-N 3.13Å; L307-K313 HydrophobicContact CD2-CB 4.25Å; L307-I343 HydrophobicContact CD1-CG1 3.98Å
308	E	95	Very high	93.8	Very high	117 Å²	117	52.4 Å²	52.4	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-20.7	174.5	-73.8	169.3	-177.5	0	0	112.7	R304 F305 R342	R304-E308 WeakPolarHBondContact CD-OE1 3.42Å; R304-E308 HydrophobicContact CG-CG 4.43Å; R304-E308 WeakPolarHBondContact CG-OE1 3.21Å; R304-E308 WeakPolarHBondContact O-CB 3.35Å; R304-E308 WeakPolarHBondContact O-CG 3.48Å; R304-E308 PolarHBondContact O-N 3.46Å; F305-E308 PolarHBondContact O-N 3.14Å; E308-R342 IonicContact OE1-NH2 3.4Å
309	N	95.7	Very high	94.1	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	26.6	175.2	-71	-93.9	0	0	0	112.6	I274 I280 F305 L306 L307 A311	I274-N309 HydrophobicContact CG2-CB 4.49Å; I280-N309 HydrophobicContact CD1-CB 3.88Å; I280-N309 WeakPolarHBondContact CD1-O 3.36Å; F305-N309 WeakPolarHBondContact CD2-ND2 3.28Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.38Å; F305-N309 PolarHBondContact O-N 3.05Å; F305-N309 VanDerWaalsContact O-N 3.11Å; F305-N309 PolarHBondContact O-ND2 3.17Å; L306-N309 CarbonylContact O-C 3.37Å; L306-N309 PolarHBondContact O-N 2.8Å; L306-N309 VanDerWaalsContact O-N 3.12Å; L307-N309 PolarHBondContact O-N 2.84Å; N309-A311 PolarHBondContact O-N 3.29Å
310	N	94.7	Very high	94.3	Very high	142 Å²	142	59.2 Å²	59.2	76%	0.759	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	29.1	172.9	-52.8	-54.9	0	0	0	115.8	L306 L307 N312	L306-N310 PolarHBondContact O-N 3.41Å; L307-N310 PolarHBondContact O-N 3.15Å; L307-N310 VanDerWaalsContact O-N 3.13Å; N310-N312 PolarHBondContact O-N 2.94Å
311	A	96.3	Very high	94.6	Very high	9 Å²	9	61 Å²	61	7%	0.074	32%	0.316	C	S	.	.			trans	-57	131.5	171	0	0	0	0	0	111.2	I280 L291 L306 N309 K313	I280-A311 HydrophobicContact CD1-CB 3.72Å; I280-A311 HydrophobicContact CG1-CB 3.96Å; L291-A311 HydrophobicContact CB-CB 4.49Å; L291-A311 HydrophobicContact CD2-CB 4.26Å; L306-A311 HydrophobicContact CB-CB 3.91Å; L306-A311 WeakPolarHBondContact O-CB 3.47Å; L306-A311 PolarHBondContact O-N 3.01Å; N309-A311 PolarHBondContact O-N 3.29Å; A311-K313 PolarHBondContact O-N 3.29Å
312	N	96.5	Very high	94.8	Very high	60 Å²	60	59.2 Å²	59.2	32%	0.321	31%	0.306	S	S	.	.			trans	-76.7	95.8	-175.5	-174.3	-8.4	0	0	0	111.7	D281 N310 N314 L315	D281-N312 WeakPolarHBondContact OD1-CB 3.29Å; D281-N312 PolarHBondContact OD1-N 2.91Å; D281-N312 VanDerWaalsContact OD2-CB 3.27Å; D281-N312 WeakPolarHBondContact OD2-CB 3.19Å; N310-N312 PolarHBondContact O-N 2.94Å; N312-N314 PolarHBondContact O-N 3.23Å; N312-N314 VanDerWaalsContact O-N 3.1Å; N312-N314 WeakPolarHBondContact OD1-CB 3.49Å; N312-N314 PolarHBondContact OD1-N 3.27Å; N312-L315 HydrophobicContact CB-CD1 3.94Å; N312-L315 HydrophobicContact CB-CG 3.96Å; N312-L315 PolarHBondContact O-N 3.39Å
313	K	93.4	Very high	94.7	Very high	56 Å²	56	59.2 Å²	59.2	24%	0.243	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.5	176.8	69.4	-179.7	-172	174.1	0	115.2	L291 L307 A311 A323 I343 S346	L291-K313 HydrophobicContact CD2-CB 4Å; L307-K313 HydrophobicContact CD2-CB 4.25Å; A311-K313 PolarHBondContact O-N 3.29Å; K313-A323 HydrophobicContact CB-CB 4Å; K313-A323 WeakPolarHBondContact O-CB 3.07Å; K313-A323 PolarHBondContact O-N 3.43Å; K313-I343 HydrophobicContact CD-CG2 4.28Å; K313-I343 PolarHBondContact NZ-O 3.43Å; K313-S346 PolarHBondContact NZ-OXT 2.55Å
314	N	95.7	Very high	94.5	Very high	107 Å²	107	61.7 Å²	61.7	57%	0.572	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-12.3	-178.4	-60.5	-45	0	0	0	113.6	N312	N312-N314 PolarHBondContact O-N 3.23Å; N312-N314 VanDerWaalsContact O-N 3.1Å; N312-N314 WeakPolarHBondContact OD1-CB 3.49Å; N312-N314 PolarHBondContact OD1-N 3.27Å
315	L	97	Very high	94.5	Very high	42 Å²	42	61 Å²	61	22%	0.22	32%	0.323	C	S	.	.			trans	-57.5	143.5	173.6	-70.4	173.3	0	0	0	109.8	D281 T289 H292 N312 N322	D281-L315 HydrophobicContact CB-CD1 3.71Å; T289-L315 HydrophobicContact CG2-CB 4.27Å; T289-L315 HydrophobicContact CG2-CD1 3.73Å; H292-L315 PolarHBondContact CE1-O 3.46Å; H292-L315 PolarHBondContact NE2-O 2.98Å; H292-L315 VanDerWaalsContact NE2-O 3.08Å; N312-L315 HydrophobicContact CB-CD1 3.94Å; N312-L315 HydrophobicContact CB-CG 3.96Å; N312-L315 PolarHBondContact O-N 3.39Å; L315-N322 WeakPolarHBondContact O-CA 3.3Å; L315-N322 WeakPolarHBondContact O-CB 3.49Å
316	K	97.1	Very high	94.2	Very high	129 Å²	129	60.9 Å²	60.9	56%	0.561	32%	0.323	S	S	*	.			trans	-113.8	139.1	-178.1	-67.3	-179.4	-179.9	-177.3	0	109.9	Q283 H321 N322	Q283-K316 PolarHBondContact NE2-O 3.44Å; K316-H321 WeakPolarHBondContact CA-O 3.17Å; K316-N322 HydrophobicContact CG-CB 4.21Å
317	T	96.1	Very high	93.8	Very high	12 Å²	12	61 Å²	61	7%	0.074	32%	0.323	C	S	.	.			trans	-62.9	166.8	162.8	61.8	0	0	0	0	110.8	K288 N319 G320 H321	K288-T317 HydrophobicContact CB-CG2 4.47Å; K288-T317 HydrophobicContact CG-CG2 3.75Å; T317-N319 PolarHBondContact O-N 3Å; T317-N319 VanDerWaalsContact O-N 3.11Å; T317-G320 WeakPolarHBondContact O-CA 3.21Å; T317-G320 PolarHBondContact O-N 2.93Å; T317-H321 PolarHBondContact N-O 2.87Å; T317-H321 PolarHBondContact OG1-N 2.62Å; T317-H321 PolarHBondContact OG1-O 2.94Å; T317-H321 VanDerWaalsContact OG1-O 3.11Å
318	N	96.8	Very high	93.3	Very high	113 Å²	113	63.7 Å²	63.7	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	175.9	-66.5	-5.5	0	0	0	112.8	R285 D286 G320	R285-N318 PolarHBondContact O-ND2 3.16Å; D286-N318 WeakPolarHBondContact CA-ND2 3.42Å; D286-N318 PolarHBondContact O-N 3.31Å; N318-G320 VanDerWaalsContact C-N 3.26Å; N318-G320 PolarHBondContact O-N 3.21Å
319	N	93.8	Very high	92.7	Very high	130 Å²	130	61.6 Å²	61.6	70%	0.695	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	7.3	174.6	-64.2	-19.3	0	0	0	113.1	T317 H321	T317-N319 PolarHBondContact O-N 3Å; T317-N319 VanDerWaalsContact O-N 3.11Å; N319-H321 VanDerWaalsContact C-N 3.3Å; N319-H321 PolarHBondContact O-N 2.74Å
320	G	94.3	Very high	91.7	Very high	39 Å²	39	59.9 Å²	59.9	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	80.3	1.9	176.3	0	0	0	0	0	115.4	T317 N318	T317-G320 WeakPolarHBondContact O-CA 3.21Å; T317-G320 PolarHBondContact O-N 2.93Å; N318-G320 VanDerWaalsContact C-N 3.26Å; N318-G320 PolarHBondContact O-N 3.21Å
321	H	93.7	Very high	90.1	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.37	30%	0.297	S	S	.	.			trans	-81.5	129.5	177.9	-55.1	156.5	0	0	0	111	K316 T317 N319 V325 L326	K316-H321 WeakPolarHBondContact CA-O 3.17Å; T317-H321 PolarHBondContact N-O 2.87Å; T317-H321 PolarHBondContact OG1-N 2.62Å; T317-H321 PolarHBondContact OG1-O 2.94Å; T317-H321 VanDerWaalsContact OG1-O 3.11Å; N319-H321 VanDerWaalsContact C-N 3.3Å; N319-H321 PolarHBondContact O-N 2.74Å; H321-V325 HydrophobicContact CB-CB 4.42Å; H321-V325 HydrophobicContact CB-CG1 4.15Å; H321-L326 HydrophobicContact CB-CD2 3.62Å; H321-L326 HydrophobicContact CB-CG 3.93Å
322	N	93.8	Very high	88.2	Confident	30 Å²	30	60.9 Å²	60.9	16%	0.16	33%	0.333	C	S	.	.			trans	-97.2	-179.6	166.8	68	9.5	0	0	0	110.8	L315 K316 L324 V325 L326	L315-N322 WeakPolarHBondContact O-CA 3.3Å; L315-N322 WeakPolarHBondContact O-CB 3.49Å; K316-N322 HydrophobicContact CG-CB 4.21Å; N322-L324 VanDerWaalsContact C-N 3.29Å; N322-L324 PolarHBondContact O-N 3.49Å; N322-L324 PolarHBondContact OD1-N 3.2Å; N322-V325 PolarHBondContact O-N 3.39Å; N322-V325 WeakPolarHBondContact OD1-CG2 3.32Å; N322-V325 PolarHBondContact OD1-N 2.88Å; N322-L326 WeakPolarHBondContact O-CG 3.4Å; N322-L326 PolarHBondContact O-N 3.28Å
323	A	90.8	Very high	86.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-41.2	-179.2	0	0	0	0	0	113.2	L291 I295 K313 S327 I343	L291-A323 HydrophobicContact CD2-CB 3.81Å; L291-A323 HydrophobicContact CG-CB 4.14Å; I295-A323 HydrophobicContact CD1-CB 3.63Å; K313-A323 HydrophobicContact CB-CB 4Å; K313-A323 WeakPolarHBondContact O-CB 3.07Å; K313-A323 PolarHBondContact O-N 3.43Å; A323-S327 WeakPolarHBondContact O-CB 3.42Å; A323-S327 PolarHBondContact O-N 2.92Å; A323-S327 PolarHBondContact O-OG 3.29Å; A323-I343 HydrophobicContact CB-CD1 4.31Å
324	L	89.2	Confident	84.4	Confident	56 Å²	56	68.4 Å²	68.4	29%	0.293	38%	0.376	S	S	.	.	H	α-helix	trans	-67.6	-45.9	-179.5	-179.4	64.1	0	0	0	112.3	N322 L326 S327 E328 I343 R344	N322-L324 VanDerWaalsContact C-N 3.29Å; N322-L324 PolarHBondContact O-N 3.49Å; N322-L324 PolarHBondContact OD1-N 3.2Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 2.94Å; L324-S327 WeakPolarHBondContact CA-OG 3.34Å; L324-S327 PolarHBondContact O-N 2.72Å; L324-S327 PolarHBondContact O-OG 3.45Å; L324-E328 WeakPolarHBondContact O-CG 3.27Å; L324-E328 PolarHBondContact O-N 3.12Å; L324-I343 HydrophobicContact CB-CG2 4.02Å; L324-I343 HydrophobicContact CD1-CG2 4.07Å; L324-R344 HydrophobicContact CD1-CG 3.94Å
325	V	89.6	Confident	82.5	Confident	60 Å²	60	71.2 Å²	71.2	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-41.9	178	172.6	0	0	0	0	110.4	H321 N322 E328 S329	H321-V325 HydrophobicContact CB-CB 4.42Å; H321-V325 HydrophobicContact CB-CG1 4.15Å; N322-V325 PolarHBondContact O-N 3.39Å; N322-V325 WeakPolarHBondContact OD1-CG2 3.32Å; N322-V325 PolarHBondContact OD1-N 2.88Å; V325-E328 PolarHBondContact O-N 3.32Å; V325-S329 PolarHBondContact O-N 3.43Å
326	L	88.7	Confident	80.7	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.042	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-48.2	175.2	-69.3	-171.8	0	0	0	111	H292 I295 L296 H321 N322 L324 E328 S329 V330	H292-L326 HydrophobicContact CB-CD1 3.89Å; H292-L326 VanDerWaalsContact CD2-CD1 3.49Å; H292-L326 WeakPolarHBondContact CD2-CD1 3.09Å; I295-L326 HydrophobicContact CG2-CB 3.91Å; L296-L326 HydrophobicContact CD1-CD1 4.34Å; L296-L326 HydrophobicContact CD2-CD1 4.29Å; L296-L326 HydrophobicContact CD2-CD2 4.17Å; L296-L326 HydrophobicContact CG-CD1 4.12Å; H321-L326 HydrophobicContact CB-CD2 3.62Å; H321-L326 HydrophobicContact CB-CG 3.93Å; N322-L326 WeakPolarHBondContact O-CG 3.4Å; N322-L326 PolarHBondContact O-N 3.28Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 2.94Å; L326-E328 PolarHBondContact O-N 3.44Å; L326-S329 PolarHBondContact O-N 3.1Å; L326-S329 PolarHBondContact O-OG 2.99Å; L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.21Å; L326-V330 PolarHBondContact O-N 3.34Å
327	S	86.8	Confident	79.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-30.3	-177.9	66.3	0	0	0	0	112.8	A323 L324 G331 N340	A323-S327 WeakPolarHBondContact O-CB 3.42Å; A323-S327 PolarHBondContact O-N 2.92Å; A323-S327 PolarHBondContact O-OG 3.29Å; L324-S327 WeakPolarHBondContact CA-OG 3.34Å; L324-S327 PolarHBondContact O-N 2.72Å; L324-S327 PolarHBondContact O-OG 3.45Å; S327-G331 WeakPolarHBondContact O-CA 3.19Å; S327-G331 PolarHBondContact O-N 3.25Å; S327-N340 WeakPolarHBondContact CB-OD1 3.38Å; S327-N340 PolarHBondContact O-ND2 3.42Å; S327-N340 PolarHBondContact O-OD1 3.32Å; S327-N340 VanDerWaalsContact O-OD1 3.05Å; S327-N340 PolarHBondContact OG-OD1 3.01Å
328	E	85.4	Confident	77.8	Confident	83 Å²	83	72.6 Å²	72.6	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-69.1	-43	171.5	-72.4	178.3	169.2	0	0	111.6	L324 V325 L326 G331 N340 R344	L324-E328 WeakPolarHBondContact O-CG 3.27Å; L324-E328 PolarHBondContact O-N 3.12Å; V325-E328 PolarHBondContact O-N 3.32Å; L326-E328 PolarHBondContact O-N 3.44Å; E328-G331 PolarHBondContact O-N 3.3Å; E328-N340 PolarHBondContact N-OD1 2.96Å; E328-R344 IonicContact OE1-CZ 3.99Å; E328-R344 IonicContact OE1-NE 2.74Å; E328-R344 IonicContact OE1-NH2 3.83Å; E328-R344 PolarHBondContact OE1-NH2 2.97Å
329	S	80.7	Confident	76.4	Confident	72 Å²	72	67.5 Å²	67.5	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-39.8	177.7	74.4	0	0	0	0	113.4	V325 L326	V325-S329 PolarHBondContact O-N 3.43Å; L326-S329 PolarHBondContact O-N 3.1Å; L326-S329 PolarHBondContact O-OG 2.99Å
330	V	75.5	Confident	75.3	Confident	28 Å²	28	62.5 Å²	62.5	17%	0.17	34%	0.34	C	S	.	.	H	α-helix	trans	-85.7	-16.7	178.1	-160.8	0	0	0	0	111.3	L296 L326 N332 Q333 N336	L296-V330 HydrophobicContact CD2-CG2 4.14Å; L326-V330 VanDerWaalsContact O-CG2 3.31Å; L326-V330 WeakPolarHBondContact O-CG2 3.21Å; L326-V330 PolarHBondContact O-N 3.34Å; V330-N332 PolarHBondContact O-N 2.82Å; V330-N332 VanDerWaalsContact O-N 3.12Å; V330-Q333 PolarHBondContact O-N 3.44Å; V330-N336 WeakPolarHBondContact CG1-ND2 3.48Å; V330-N336 PolarHBondContact O-ND2 3.13Å
331	G	62.1	Low	74.3	Confident	17 Å²	17	66.6 Å²	66.6	18%	0.175	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	-178.7	0	0	0	0	0	115.5	S327 E328 Q333	S327-G331 WeakPolarHBondContact O-CA 3.19Å; S327-G331 PolarHBondContact O-N 3.25Å; E328-G331 PolarHBondContact O-N 3.3Å; G331-Q333 PolarHBondContact O-N 2.98Å; G331-Q333 VanDerWaalsContact O-N 3.16Å
332	N	54.5	Low	73.1	Confident	155 Å²	155	68.3 Å²	68.3	83%	0.829	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.7	172.8	-71.4	-29.9	0	0	0	113.3	V330	V330-N332 PolarHBondContact O-N 2.82Å; V330-N332 VanDerWaalsContact O-N 3.12Å
333	Q	56.8	Low	72.1	Confident	141 Å²	141	67 Å²	67	66%	0.659	35%	0.345	S	S	*	.	S	Bend	trans	-98.3	122.8	166.9	-57.2	-157.6	2	0	0	110.1	V330 G331 K335 N336	V330-Q333 PolarHBondContact O-N 3.44Å; G331-Q333 PolarHBondContact O-N 2.98Å; G331-Q333 VanDerWaalsContact O-N 3.16Å; Q333-K335 PolarHBondContact O-N 3.05Å; Q333-N336 PolarHBondContact O-N 3.44Å
334	V	53.3	Low	71.4	Confident	134 Å²	134	74.9 Å²	74.9	81%	0.812	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-41.6	-33.6	-171	178	0	0	0	0	115.2	N336 S337	V334-N336 VanDerWaalsContact C-N 3.32Å; V334-N336 PolarHBondContact O-N 3.3Å; V334-S337 PolarHBondContact O-OG 2.93Å; V334-S337 VanDerWaalsContact O-OG 3.11Å
335	K	57.1	Low	70.7	Confident	166 Å²	166	79.3 Å²	79.3	72%	0.722	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27.6	179.1	-68	-176.6	179	-179.5	0	114.1	I300 Q333	I300-K335 WeakPolarHBondContact CD1-O 3.35Å; Q333-K335 PolarHBondContact O-N 3.05Å
336	N	59.7	Low	69.5	Low	6 Å²	6	80.5 Å²	80.5	3%	0.032	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-93.5	-6.2	-169.2	-64.1	-33.9	0	0	0	114.6	V330 Q333 V334 K338 I339 N340	V330-N336 WeakPolarHBondContact CG1-ND2 3.48Å; V330-N336 PolarHBondContact O-ND2 3.13Å; Q333-N336 PolarHBondContact O-N 3.44Å; V334-N336 VanDerWaalsContact C-N 3.32Å; V334-N336 PolarHBondContact O-N 3.3Å; N336-K338 PolarHBondContact O-N 2.94Å; N336-I339 HydrophobicContact CB-CD1 4.5Å; N336-I339 WeakPolarHBondContact O-CB 3.44Å; N336-I339 PolarHBondContact O-N 2.91Å; N336-I339 WeakPolarHBondContact OD1-CD1 3.29Å; N336-N340 PolarHBondContact O-N 3.19Å
337	S	62.8	Low	68.5	Low	61 Å²	61	84.2 Å²	84.2	43%	0.427	42%	0.423	S	S	.	.	H	α-helix	trans	-54.8	-37.3	173	58.9	0	0	0	0	112.6	V334 N340 Q341	V334-S337 PolarHBondContact O-OG 2.93Å; V334-S337 VanDerWaalsContact O-OG 3.11Å; S337-N340 PolarHBondContact O-N 3.06Å; S337-Q341 PolarHBondContact O-N 3.11Å
338	K	68.1	Low	67.5	Low	144 Å²	144	88.5 Å²	88.5	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-67.1	-33.6	175.9	-68.6	-177.1	179.5	179.4	0	113.1	N336 R342	N336-K338 PolarHBondContact O-N 2.94Å; K338-R342 PolarHBondContact O-N 2.94Å
339	I	67.6	Low	66.5	Low	7 Å²	7	88.8 Å²	88.8	4%	0.036	45%	0.449	C	S	.	.	H	α-helix	trans	-67.3	-46.9	177.2	-61.1	179.2	0	0	0	109.2	I295 I300 N336 Q341 R342 I343	I295-I339 HydrophobicContact CG1-CG2 4.16Å; I300-I339 HydrophobicContact CB-CG1 4.48Å; I300-I339 HydrophobicContact CG1-CD1 3.97Å; I300-I339 HydrophobicContact CG1-CG1 3.96Å; I300-I339 HydrophobicContact CG2-CG1 4.44Å; N336-I339 HydrophobicContact CB-CD1 4.5Å; N336-I339 WeakPolarHBondContact O-CB 3.44Å; N336-I339 PolarHBondContact O-N 2.91Å; N336-I339 WeakPolarHBondContact OD1-CD1 3.29Å; I339-Q341 PolarHBondContact O-N 3.31Å; I339-R342 PolarHBondContact O-N 3.26Å; I339-R342 VanDerWaalsContact O-N 3.12Å; I339-I343 HydrophobicContact CG2-CD1 3.55Å; I339-I343 HydrophobicContact CG2-CG1 4.22Å; I339-I343 WeakPolarHBondContact O-CG1 3.47Å; I339-I343 PolarHBondContact O-N 3.3Å
340	N	71	Confident	65.7	Low	24 Å²	24	89.8 Å²	89.8	13%	0.128	45%	0.445	C	S	.	.	H	α-helix	trans	-56.3	-47.9	178.3	-82	-32.7	0	0	0	113.2	S327 E328 N336 S337 R342 R344	S327-N340 WeakPolarHBondContact CB-OD1 3.38Å; S327-N340 PolarHBondContact O-ND2 3.42Å; S327-N340 PolarHBondContact O-OD1 3.32Å; S327-N340 VanDerWaalsContact O-OD1 3.05Å; S327-N340 PolarHBondContact OG-OD1 3.01Å; E328-N340 PolarHBondContact N-OD1 2.96Å; N336-N340 PolarHBondContact O-N 3.19Å; S337-N340 PolarHBondContact O-N 3.06Å; N340-R342 PolarHBondContact O-N 3.36Å; N340-R344 VanDerWaalsContact O-CG 3.32Å; N340-R344 WeakPolarHBondContact O-CG 3.21Å; N340-R344 PolarHBondContact O-N 3.12Å
341	Q	72.6	Confident	65.1	Low	125 Å²	125	93.7 Å²	93.7	58%	0.584	46%	0.463	S	S	*	.	H	α-helix	trans	-59.4	-36.6	179.2	-73.5	-179.8	-14.6	0	0	111.9	S337 I339 Q345	S337-Q341 PolarHBondContact O-N 3.11Å; I339-Q341 PolarHBondContact O-N 3.31Å; Q341-Q345 WeakPolarHBondContact O-CG 3.34Å; Q341-Q345 PolarHBondContact O-N 2.94Å
342	R	68.6	Low	65.3	Low	116 Å²	116	98.8 Å²	98.8	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-83.4	-39.6	-172.9	-144.9	152.2	179.5	145.2	-6.6	113.2	E308 K338 I339 N340 R344 Q345 S346	E308-R342 IonicContact OE1-NH2 3.4Å; K338-R342 PolarHBondContact O-N 2.94Å; I339-R342 PolarHBondContact O-N 3.26Å; I339-R342 VanDerWaalsContact O-N 3.12Å; N340-R342 PolarHBondContact O-N 3.36Å; R342-R344 PolarHBondContact O-N 2.95Å; R342-Q345 PolarHBondContact O-N 3.36Å; R342-S346 PolarHBondContact O-N 3.22Å; R342-S346 PolarHBondContact O-OG 2.82Å
343	I	73.9	Confident	66.1	Low	4 Å²	4	94.8 Å²	94.8	2%	0.021	46%	0.457	C	S	.	.	H	α-helix	trans	-58.4	-30.8	171.9	-68.3	172.8	0	0	0	111.3	I295 L307 K313 A323 L324 I339	I295-I343 HydrophobicContact CD1-CD1 3.64Å; I295-I343 HydrophobicContact CG1-CD1 4.35Å; L307-I343 HydrophobicContact CD1-CG1 3.98Å; K313-I343 HydrophobicContact CD-CG2 4.28Å; K313-I343 PolarHBondContact NZ-O 3.43Å; A323-I343 HydrophobicContact CB-CD1 4.31Å; L324-I343 HydrophobicContact CB-CG2 4.02Å; L324-I343 HydrophobicContact CD1-CG2 4.07Å; I339-I343 HydrophobicContact CG2-CD1 3.55Å; I339-I343 HydrophobicContact CG2-CG1 4.22Å; I339-I343 WeakPolarHBondContact O-CG1 3.47Å; I339-I343 PolarHBondContact O-N 3.3Å
344	R	76.1	Confident	66.8	Low	165 Å²	165	91.2 Å²	91.2	62%	0.623	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.2	174.3	-69.7	178.1	-179.5	-173.7	0.1	113.9	L324 E328 N340 R342	L324-R344 HydrophobicContact CD1-CG 3.94Å; E328-R344 IonicContact OE1-CZ 3.99Å; E328-R344 IonicContact OE1-NE 2.74Å; E328-R344 IonicContact OE1-NH2 3.83Å; E328-R344 PolarHBondContact OE1-NH2 2.97Å; N340-R344 VanDerWaalsContact O-CG 3.32Å; N340-R344 WeakPolarHBondContact O-CG 3.21Å; N340-R344 PolarHBondContact O-N 3.12Å; R342-R344 PolarHBondContact O-N 2.95Å
345	Q	74.2	Confident	67.9	Low	149 Å²	149	87.7 Å²	87.7	70%	0.696	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-36.6	-175.2	-77.4	172.1	-4.1	0	0	114.4	Q341 R342	Q341-Q345 WeakPolarHBondContact O-CG 3.34Å; Q341-Q345 PolarHBondContact O-N 2.94Å; R342-Q345 PolarHBondContact O-N 3.36Å
346	S	63.4	Low	68.9	Low	85 Å²	85	80.5 Å²	80.5	59%	0.594	38%	0.382	S	S	*	.			trans	-66.3	0	164.5	60.8	0	0	0	0	109.6	K313 R342	K313-S346 PolarHBondContact NZ-OXT 2.55Å; R342-S346 PolarHBondContact O-N 3.22Å; R342-S346 PolarHBondContact O-OG 2.82Å

Retrieved 346 of 346 residues in 785.1 ms (Link to these results)

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