A0A077YXJ0_TRITR Loading...

Inositol tetrakisphosphate 1 kinase

AlphaFold DB , UniProt , Accession A0A077YXJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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	38.7	Very low	34.5	Very low	242 Å²	242	160.3 Å²	160.3	100%	1.192	82%	0.824	S	S	*	*				0	132.8	0	-76.1	-175.8	175.3	0	0	108.5
2	R	37.2	Very low	34.2	Very low	245 Å²	245	165.9 Å²	165.9	93%	0.925	83%	0.827	S	S	*	*			trans	71	82.4	-174.3	-61.5	-177.2	178.7	173.5	-0	114.1
3	N	34.2	Very low	34.2	Very low	152 Å²	152	164.1 Å²	164.1	81%	0.813	82%	0.822	S	S	*	*				57.8	116.6	72.5	-82.8	1.5	0	0	0	116
4	N	36.7	Very low	34.3	Very low	130 Å²	130	156.6 Å²	156.6	70%	0.695	80%	0.798	S	S	*	*			trans	121.3	133.8	145.9	-72.6	-14.8	0	0	0	113
5	R	35	Very low	34.4	Very low	224 Å²	224	156.3 Å²	156.3	85%	0.845	80%	0.799	S	S	*	*			cis	-170.1	142.8	-11.3	-115.9	173.5	-162.1	-165.6	-0.6	104.3
6	I	33.6	Very low	34.4	Very low	167 Å²	167	153.7 Å²	153.7	86%	0.856	80%	0.799	S	S	*	*			trans	-71.3	144.4	177.9	-64.9	157.5	0	0	0	110.2
7	A	32.4	Very low	34.5	Very low	91 Å²	91	150.8 Å²	150.8	75%	0.752	79%	0.79	S	S	*	*			trans	-144	146.8	147.3	0	0	0	0	0	109.7
8	P	33.2	Very low	34.8	Very low	105 Å²	105	146.3 Å²	146.3	68%	0.682	77%	0.773	S	S	*	*			trans	-98.2	156.4	-139.6	35.8	-32.7	0	0	0	114.6	V10	P8-V10 PolarHBondContact O-N 3.26Å
9	K	33.3	Very low	35	Very low	212 Å²	212	147.3 Å²	147.3	92%	0.922	77%	0.773	S	S	*	*			trans	-60.9	114.2	162.7	-77.1	178.3	173.6	178.5	0	109.2
10	V	33.1	Very low	35.2	Very low	106 Å²	106	146.7 Å²	146.7	64%	0.642	77%	0.77	S	S	*	*			trans	-89.9	109.3	165.1	-179.6	0	0	0	0	107.8	P8	P8-V10 PolarHBondContact O-N 3.26Å
11	A	32.2	Very low	35.3	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	77%	0.766	S	S	*	*			trans	-70.8	123.4	163.5	0	0	0	0	0	108.1
12	W	30.4	Very low	35.2	Very low	228 Å²	228	141.8 Å²	141.8	86%	0.864	74%	0.742	S	S	*	*			trans	-91.3	101.7	170.3	-78	74	0	0	0	108.5	A14	W12-A14 PolarHBondContact O-N 3.02Å
13	D	35.3	Very low	35.1	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	73%	0.728	S	S	*	*			trans	-65.7	105.2	162.3	-88.8	-33.8	0	0	0	109	N15	D13-N15 VanDerWaalsContact C-N 3.25Å; D13-N15 PolarHBondContact O-N 3.49Å
14	A	35.8	Very low	35.1	Very low	60 Å²	60	137.4 Å²	137.4	50%	0.496	73%	0.731	S	S	.	*	S	Bend	trans	-72.2	89.4	161	0	0	0	0	0	108.5	W12 R434	W12-A14 PolarHBondContact O-N 3.02Å; A14-R434 PolarHBondContact O-NH1 3.47Å; A14-R434 VanDerWaalsContact O-NH1 3.07Å
15	N	35.4	Very low	35.2	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	73%	0.73	S	S	*	*			trans	-173.6	76.3	156.1	-93.2	-10	0	0	0	109.5	D13	D13-N15 VanDerWaalsContact C-N 3.25Å; D13-N15 PolarHBondContact O-N 3.49Å
16	S	34.1	Very low	35.3	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	72%	0.721	S	S	*	*			trans	172.6	70.2	154.8	44	0	0	0	0	109.9
17	V	36.8	Very low	36	Very low	105 Å²	105	126.1 Å²	126.1	64%	0.636	72%	0.717	S	S	*	*			trans	-106.5	104.4	151.7	179.9	0	0	0	0	104.3	Q19	V17-Q19 PolarHBondContact O-N 3.11Å
18	S	40.1	Very low	37.3	Very low	70 Å²	70	130 Å²	130	49%	0.49	72%	0.716	S	S	.	*			trans	-52.9	130.6	176.1	44.2	0	0	0	0	109.6	N20 E21	S18-N20 PolarHBondContact O-N 3.02Å; S18-E21 PolarHBondContact O-N 3.12Å; S18-E21 VanDerWaalsContact O-N 3.12Å
19	Q	38.2	Very low	39.8	Very low	164 Å²	164	130.7 Å²	130.7	77%	0.766	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-11.8	177.1	-83.7	162.7	-49.9	0	0	114.1	V17	V17-Q19 PolarHBondContact O-N 3.11Å
20	N	37.7	Very low	42.7	Very low	136 Å²	136	122 Å²	122	73%	0.727	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-10.9	179.2	-68.7	-6.5	0	0	0	115.3	S18	S18-N20 PolarHBondContact O-N 3.02Å
21	E	37.1	Very low	45.8	Very low	147 Å²	147	119.2 Å²	119.2	69%	0.687	65%	0.645	S	S	*	*	S	Bend	trans	-96.2	-8.1	173.4	-74.2	-173.9	153.5	0	0	113.2	S18	S18-E21 PolarHBondContact O-N 3.12Å; S18-E21 VanDerWaalsContact O-N 3.12Å
22	M	36.8	Very low	48.9	Very low	139 Å²	139	115 Å²	115	69%	0.685	61%	0.61	S	S	*	*	S	Bend	trans	-86.4	-11.5	177.3	-74	-176.4	64.1	0	0	113.6
23	D	36.2	Very low	52.1	Low	118 Å²	118	104.1 Å²	104.1	63%	0.631	57%	0.569	S	S	*	*	S	Bend	trans	-102.6	-11.4	-175.2	-74.5	-17.8	0	0	0	114.9	S26	D23-S26 WeakPolarHBondContact O-CB 3.29Å; D23-S26 PolarHBondContact O-OG 2.84Å
24	E	34.5	Very low	55.1	Low	187 Å²	187	98.4 Å²	98.4	87%	0.874	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.8	177.7	-90.8	-174.4	161.5	0	0	115.2	S26	E24-S26 VanDerWaalsContact C-N 3.27Å; E24-S26 PolarHBondContact O-N 3.19Å
25	A	37.6	Very low	58	Low	81 Å²	81	97 Å²	97	67%	0.669	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	12.3	171.4	0	0	0	0	0	113.6
26	S	37.7	Very low	60.9	Low	93 Å²	93	90 Å²	90	65%	0.65	48%	0.481	S	S	*	.			trans	-97.7	8.7	-161	68.2	0	0	0	0	117.1	D23 E24	D23-S26 WeakPolarHBondContact O-CB 3.29Å; D23-S26 PolarHBondContact O-OG 2.84Å; E24-S26 VanDerWaalsContact C-N 3.27Å; E24-S26 PolarHBondContact O-N 3.19Å
27	S	47.8	Very low	63.8	Low	110 Å²	110	86.6 Å²	86.6	77%	0.769	46%	0.455	S	S	*	.			trans	-122.5	0.2	-168.9	-149.7	0	0	0	0	119.2	R29	S27-R29 PolarHBondContact O-N 3.38Å
28	K	59.1	Low	66.5	Low	171 Å²	171	85.4 Å²	85.4	74%	0.743	46%	0.457	S	S	*	.			trans	-90.8	93.4	170.8	-81.9	-171.7	179.6	-178.7	0	111.6	W30 R351	K28-W30 PolarHBondContact O-N 2.97Å; K28-R351 PolarHBondContact O-NH2 3.14Å
29	R	86.9	Confident	69	Low	121 Å²	121	90.4 Å²	90.4	46%	0.457	47%	0.469	S	S	.	.			trans	-45.3	120.2	166.3	171	158.6	-175.7	178.5	3.1	110.2	S27 N57 M58 E59	S27-R29 PolarHBondContact O-N 3.38Å; R29-N57 VanDerWaalsContact CG-O 3.25Å; R29-N57 WeakPolarHBondContact CG-O 3.38Å; R29-M58 VanDerWaalsContact NE-C 3.31Å; R29-M58 PolarHBondContact NH2-O 3.12Å; R29-E59 HydrophobicContact CG-CB 4.18Å
30	W	94.2	Very high	71.6	Confident	29 Å²	29	83.7 Å²	83.7	11%	0.11	44%	0.438	C	S	.	.			trans	-67.1	140.1	174.1	-67.5	-33.7	0	0	0	110	K28 I32 M58 E59 H75 V344 L347 K348 R351	K28-W30 PolarHBondContact O-N 2.97Å; W30-I32 HydrophobicContact CB-CD1 4.17Å; W30-M58 HydrophobicContact CB-CG 4.35Å; W30-M58 HydrophobicContact CD2-CE 4.42Å; W30-M58 HydrophobicContact CE3-CE 3.2Å; W30-M58 HydrophobicContact CE3-CG 4.39Å; W30-M58 HydrophobicContact CE3-SD 3.78Å; W30-M58 HydrophobicContact CZ3-CE 3.38Å; W30-M58 HydrophobicContact CZ3-SD 4.46Å; W30-E59 PolarHBondContact O-N 3.07Å; W30-H75 AromaticContact CD1-CD2 3.92Å; W30-V344 HydrophobicContact CH2-CB 4.34Å; W30-V344 HydrophobicContact CH2-CG1 3.83Å; W30-V344 HydrophobicContact CZ3-CB 3.95Å; W30-V344 HydrophobicContact CZ3-CG1 3.82Å; W30-V344 HydrophobicContact CZ3-CG2 3.88Å; W30-L347 HydrophobicContact CB-CD1 4.32Å; W30-L347 HydrophobicContact CD2-CB 4.27Å; W30-L347 HydrophobicContact CD2-CD1 3.58Å; W30-L347 HydrophobicContact CD2-CG 4.49Å; W30-L347 HydrophobicContact CE3-CB 4.34Å; W30-L347 HydrophobicContact CE3-CD1 3.39Å; W30-L347 HydrophobicContact CE3-CG 4.5Å; W30-L347 HydrophobicContact CG-CD1 3.98Å; W30-L347 HydrophobicContact CH2-CB 4.13Å; W30-L347 HydrophobicContact CZ2-CB 3.96Å; W30-L347 HydrophobicContact CZ3-CB 4.3Å; W30-L347 HydrophobicContact CZ3-CD1 3.95Å; W30-K348 HydrophobicContact CH2-CD 4.45Å; W30-K348 HydrophobicContact CH2-CG 3.85Å; W30-K348 HydrophobicContact CZ2-CG 3.94Å; W30-R351 VanDerWaalsContact CD1-CZ 3.49Å; W30-R351 VanDerWaalsContact NE1-NH2 3.19Å
31	R	96.8	Very high	74.3	Confident	48 Å²	48	79 Å²	79	18%	0.181	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.3	179.7	-169.6	174.1	-175.5	-152.9	-1	109.4	E59 L61 Q71 L72 P73 L74 H75	R31-E59 CarbonylContact C-O 3.53Å; R31-E59 WeakPolarHBondContact CA-O 3.43Å; R31-E59 HydrophobicContact CB-CB 4.26Å; R31-E59 WeakPolarHBondContact CD-OE1 3.5Å; R31-E59 VanDerWaalsContact CD-OE2 3.3Å; R31-E59 WeakPolarHBondContact CD-OE2 3.46Å; R31-E59 HydrophobicContact CG-CB 4.07Å; R31-E59 VanDerWaalsContact CG-CD 3.5Å; R31-E59 HydrophobicContact CG-CG 4.02Å; R31-E59 WeakPolarHBondContact CG-OE2 3.47Å; R31-E59 IonicContact CZ-OE1 2.96Å; R31-E59 IonicContact NE-OE1 3.65Å; R31-E59 PolarHBondContact NE-OE1 3.25Å; R31-E59 IonicContact NE-OE2 3.62Å; R31-E59 IonicContact NH2-OE1 3.68Å; R31-L61 HydrophobicContact CG-CD2 4.11Å; R31-Q71 PolarHBondContact NH1-O 3.15Å; R31-Q71 PolarHBondContact NH2-O 3.5Å; R31-L72 PolarHBondContact NH1-O 3.02Å; R31-L72 VanDerWaalsContact NH1-O 3.08Å; R31-P73 WeakPolarHBondContact CD-O 3.29Å; R31-L74 HydrophobicContact CG-CD2 3.87Å; R31-H75 PolarHBondContact N-ND1 3.06Å; R31-H75 PolarHBondContact O-N 3.37Å
32	I	97.8	Very high	77	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.6	-168.1	-47.9	-60.7	0	0	0	108.8	W30 E59 I60 L61 H75 A76 V78 L343 L347	W30-I32 HydrophobicContact CB-CD1 4.17Å; I32-E59 PolarHBondContact N-O 2.91Å; I32-I60 HydrophobicContact CB-CG1 4.45Å; I32-I60 VanDerWaalsContact O-CA 3.3Å; I32-I60 WeakPolarHBondContact O-CA 3.31Å; I32-L61 PolarHBondContact O-N 3.48Å; I32-H75 HydrophobicContact CD1-CB 4.49Å; I32-A76 WeakPolarHBondContact CA-O 3.29Å; I32-A76 HydrophobicContact CD1-CB 3.86Å; I32-A76 HydrophobicContact CG2-CB 4.47Å; I32-V78 HydrophobicContact CG2-CG2 4.21Å; I32-L343 HydrophobicContact CD1-CD1 4.49Å; I32-L343 HydrophobicContact CD1-CD2 4.09Å; I32-L343 HydrophobicContact CG1-CD2 4.15Å; I32-L343 HydrophobicContact CG2-CD2 4.04Å; I32-L347 HydrophobicContact CD1-CD1 3.74Å
33	G	98	Very high	79.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.6	167.6	0	0	0	0	0	110.9	L61 A76 I77 V78	G33-L61 CarbonylContact C-O 3.55Å; G33-L61 WeakPolarHBondContact CA-O 3.39Å; G33-A76 PolarHBondContact N-O 3.24Å; G33-I77 CarbonylContact O-C 3.55Å; G33-I77 VanDerWaalsContact O-CA 3.29Å; G33-I77 WeakPolarHBondContact O-CA 3.16Å; G33-V78 PolarHBondContact O-N 3.09Å
34	Y	98.2	Very high	82.2	Confident	22 Å²	22	68.6 Å²	68.6	9%	0.086	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.8	165.5	73.1	-94.7	0	0	0	112.3	M41 F46 I50 I60 L61 E62 L63 V78	Y34-M41 HydrophobicContact CE2-CE 3.64Å; Y34-M41 HydrophobicContact CE2-SD 4.19Å; Y34-F46 HydrophobicContact CD1-CE1 4.05Å; Y34-F46 HydrophobicContact CD2-CD1 4.31Å; Y34-F46 AromaticContact CD2-CE1 3.69Å; Y34-F46 HydrophobicContact CD2-CE1 3.69Å; Y34-F46 HydrophobicContact CE2-CE1 4.26Å; Y34-F46 AromaticContact CG-CE1 3.59Å; Y34-F46 HydrophobicContact CG-CE1 3.59Å; Y34-F46 HydrophobicContact CG-CZ 4.25Å; Y34-I50 HydrophobicContact CE1-CD1 3.92Å; Y34-I50 HydrophobicContact CE1-CG1 4.28Å; Y34-I60 HydrophobicContact CD1-CD1 4.08Å; Y34-I60 HydrophobicContact CD1-CG1 3.68Å; Y34-I60 HydrophobicContact CE1-CG1 4.09Å; Y34-L61 VanDerWaalsContact CD1-C 3.5Å; Y34-L61 WeakPolarHBondContact CD1-O 3.4Å; Y34-L61 VanDerWaalsContact CE1-C 3.41Å; Y34-L61 PolarHBondContact N-O 2.76Å; Y34-E62 HydrophobicContact CD2-CG 4.27Å; Y34-E62 HydrophobicContact CE1-CB 4.05Å; Y34-E62 VanDerWaalsContact CE1-N 3.34Å; Y34-E62 HydrophobicContact CE2-CB 3.81Å; Y34-E62 HydrophobicContact CE2-CG 3.58Å; Y34-E62 WeakPolarHBondContact OH-CB 3.41Å; Y34-E62 PolarHBondContact OH-OE2 2.87Å; Y34-L63 PolarHBondContact O-N 2.79Å; Y34-V78 WeakPolarHBondContact CA-O 3.28Å; Y34-V78 WeakPolarHBondContact CB-O 3.03Å
35	W	97.5	Very high	85	Confident	30 Å²	30	60.3 Å²	60.3	11%	0.114	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	126.1	171.2	-175.1	-95.1	0	0	0	112.9	E62 L63 F65 V78 H79 K80 L81 F84 I98	W35-E62 HydrophobicContact CE3-CG 4.3Å; W35-L63 HydrophobicContact CB-CB 4.5Å; W35-L63 HydrophobicContact CB-CD1 4.34Å; W35-L63 HydrophobicContact CE3-CB 4.33Å; W35-L63 WeakPolarHBondContact CZ3-O 3.13Å; W35-F65 HydrophobicContact CB-CE2 4.05Å; W35-F65 HydrophobicContact CB-CZ 4.44Å; W35-F65 HydrophobicContact CD2-CD2 4.01Å; W35-F65 AromaticContact CD2-CE2 3.44Å; W35-F65 HydrophobicContact CD2-CE2 3.44Å; W35-F65 VanDerWaalsContact CD2-CE2 3.44Å; W35-F65 AromaticContact CE2-CE2 3.76Å; W35-F65 AromaticContact CE3-CD2 3.99Å; W35-F65 HydrophobicContact CE3-CD2 3.99Å; W35-F65 AromaticContact CE3-CE2 3.75Å; W35-F65 HydrophobicContact CE3-CE2 3.75Å; W35-F65 AromaticContact CG-CE2 3.58Å; W35-F65 HydrophobicContact CG-CE2 3.58Å; W35-F65 HydrophobicContact CG-CZ 4.29Å; W35-F65 HydrophobicContact CH2-CD2 4.2Å; W35-F65 HydrophobicContact CZ2-CD2 4.22Å; W35-F65 HydrophobicContact CZ2-CE2 4.33Å; W35-F65 HydrophobicContact CZ3-CD2 4.1Å; W35-F65 HydrophobicContact CZ3-CE2 4.32Å; W35-V78 PolarHBondContact N-O 2.92Å; W35-V78 VanDerWaalsContact N-O 3.1Å; W35-H79 HydrophobicContact CB-CB 4.49Å; W35-H79 CarbonylContact O-C 3.59Å; W35-H79 WeakPolarHBondContact O-CA 3.26Å; W35-H79 WeakPolarHBondContact O-CB 3.49Å; W35-K80 PolarHBondContact O-N 2.97Å; W35-L81 HydrophobicContact CG-CD2 4.43Å; W35-F84 HydrophobicContact CZ2-CE1 4.41Å; W35-F84 HydrophobicContact CZ2-CZ 4.25Å; W35-F84 AromaticContact NE1-CE1 3.96Å; W35-F84 AromaticContact NE1-CE2 3.62Å; W35-F84 AromaticContact NE1-CZ 3.47Å; W35-I98 HydrophobicContact CH2-CD1 4.47Å; W35-I98 HydrophobicContact CZ2-CD1 3.58Å
36	M	95.5	Very high	87.8	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.025	29%	0.285	C	S	.	.			trans	-165.8	165.4	172.2	63.2	-164.6	76.2	0	0	110.2	K40 M41 I44 F46 K80	M36-K40 HydrophobicContact CB-CB 4.23Å; M36-K40 HydrophobicContact CB-CG 4.1Å; M36-K40 HydrophobicContact CG-CB 4.26Å; M36-K40 HydrophobicContact CG-CG 4.14Å; M36-K40 HydrophobicContact SD-CB 4.45Å; M36-K40 HydrophobicContact SD-CG 3.79Å; M36-M41 HydrophobicContact CG-CG 3.4Å; M36-M41 VanDerWaalsContact CG-CG 3.4Å; M36-M41 HydrophobicContact CG-SD 4.49Å; M36-M41 HydrophobicContact SD-CG 3.9Å; M36-I44 HydrophobicContact SD-CD1 3.87Å; M36-F46 HydrophobicContact CE-CD1 4.13Å; M36-F46 HydrophobicContact CE-CD2 3.94Å; M36-F46 HydrophobicContact CE-CE1 3.84Å; M36-F46 HydrophobicContact CE-CE2 3.62Å; M36-F46 HydrophobicContact CE-CG 4.17Å; M36-F46 HydrophobicContact CE-CZ 3.55Å; M36-F46 HydrophobicContact SD-CD1 4.39Å; M36-F46 HydrophobicContact SD-CD2 4.17Å; M36-F46 HydrophobicContact SD-CE2 4.44Å; M36-F46 HydrophobicContact SD-CG 4.12Å; M36-K80 HydrophobicContact CB-CB 3.91Å
37	T	94.1	Very high	90.6	Very high	42 Å²	42	56.3 Å²	56.3	26%	0.258	28%	0.276	S	S	.	.			trans	-63.5	147.9	178	65.7	0	0	0	0	112.1	K39 K40 M41 F84	T37-K39 PolarHBondContact O-N 3.09Å; T37-K39 VanDerWaalsContact O-N 3.14Å; T37-K40 WeakPolarHBondContact O-CA 3.46Å; T37-K40 WeakPolarHBondContact O-CB 3.43Å; T37-K40 PolarHBondContact O-N 2.8Å; T37-K40 WeakPolarHBondContact OG1-CB 3.28Å; T37-K40 PolarHBondContact OG1-N 3.17Å; T37-M41 PolarHBondContact O-N 3.42Å; T37-F84 HydrophobicContact CG2-CE2 3.78Å; T37-F84 HydrophobicContact CG2-CZ 4.29Å
38	A	94.4	Very high	92.8	Very high	81 Å²	81	56.5 Å²	56.5	67%	0.669	26%	0.26	S	S	*	.	H	α-helix	trans	-53.9	-36.4	173.4	0	0	0	0	0	112.2	K40 M41 K42	A38-K40 VanDerWaalsContact C-N 3.35Å; A38-K40 PolarHBondContact O-N 2.62Å; A38-M41 PolarHBondContact O-N 3.1Å; A38-K42 WeakPolarHBondContact O-CB 3.36Å; A38-K42 PolarHBondContact O-N 3.45Å
39	K	91.6	Very high	94.6	Very high	174 Å²	174	48.3 Å²	48.3	76%	0.757	23%	0.225	S	C	*	.	H	α-helix	trans	-58.4	-44.3	173.6	-176.1	-179.9	-179.5	179.9	0	111.7	T37 K43	T37-K39 PolarHBondContact O-N 3.09Å; T37-K39 VanDerWaalsContact O-N 3.14Å; K39-K43 WeakPolarHBondContact O-CB 3.34Å; K39-K43 PolarHBondContact O-N 3.09Å
40	K	93.1	Very high	95.1	Very high	24 Å²	24	43.9 Å²	43.9	10%	0.104	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-48.4	176.6	179.8	68.2	-176.4	-175	0	111.2	M36 T37 A38 K42 K43 I44 K80 F326 P327	M36-K40 HydrophobicContact CB-CB 4.23Å; M36-K40 HydrophobicContact CB-CG 4.1Å; M36-K40 HydrophobicContact CG-CB 4.26Å; M36-K40 HydrophobicContact CG-CG 4.14Å; M36-K40 HydrophobicContact SD-CB 4.45Å; M36-K40 HydrophobicContact SD-CG 3.79Å; T37-K40 WeakPolarHBondContact O-CA 3.46Å; T37-K40 WeakPolarHBondContact O-CB 3.43Å; T37-K40 PolarHBondContact O-N 2.8Å; T37-K40 WeakPolarHBondContact OG1-CB 3.28Å; T37-K40 PolarHBondContact OG1-N 3.17Å; A38-K40 VanDerWaalsContact C-N 3.35Å; A38-K40 PolarHBondContact O-N 2.62Å; K40-K42 VanDerWaalsContact C-N 3.32Å; K40-K42 PolarHBondContact O-N 3.09Å; K40-K43 PolarHBondContact O-N 3.4Å; K40-K43 VanDerWaalsContact O-N 3.09Å; K40-I44 HydrophobicContact CD-CG2 4.24Å; K40-I44 WeakPolarHBondContact O-CG1 3.3Å; K40-I44 PolarHBondContact O-N 3.15Å; K40-K80 HydrophobicContact CD-CG 4.23Å; K40-K80 HydrophobicContact CG-CB 4.37Å; K40-K80 HydrophobicContact CG-CG 4.2Å; K40-F326 PolarHBondContact NZ-O 3.21Å; K40-P327 VanDerWaalsContact NZ-C 3.3Å; K40-P327 PolarHBondContact NZ-O 2.73Å
41	M	94.7	Very high	95.2	Very high	36 Å²	36	45.7 Å²	45.7	18%	0.177	23%	0.227	C	C	.	.	H	α-helix	trans	-54.8	-48.5	178.2	-65.6	-178	75.5	0	0	111.3	Y34 M36 T37 A38 Q45 F46 I50	Y34-M41 HydrophobicContact CE2-CE 3.64Å; Y34-M41 HydrophobicContact CE2-SD 4.19Å; M36-M41 HydrophobicContact CG-CG 3.4Å; M36-M41 VanDerWaalsContact CG-CG 3.4Å; M36-M41 HydrophobicContact CG-SD 4.49Å; M36-M41 HydrophobicContact SD-CG 3.9Å; T37-M41 PolarHBondContact O-N 3.42Å; A38-M41 PolarHBondContact O-N 3.1Å; M41-Q45 WeakPolarHBondContact O-CA 3.44Å; M41-Q45 PolarHBondContact O-N 2.97Å; M41-F46 HydrophobicContact CB-CB 4.17Å; M41-F46 HydrophobicContact CE-CD1 4.11Å; M41-F46 HydrophobicContact CG-CB 4.43Å; M41-F46 PolarHBondContact O-N 3.03Å; M41-I50 HydrophobicContact CE-CD1 4.14Å
42	K	93.4	Very high	95.2	Very high	127 Å²	127	45.9 Å²	45.9	55%	0.552	23%	0.229	S	C	*	.	H	α-helix	trans	-52.8	-63.1	172.3	-130.6	-167.5	150.1	171.9	0	108.3	A38 K40 I44 Q45 Y409	A38-K42 WeakPolarHBondContact O-CB 3.36Å; A38-K42 PolarHBondContact O-N 3.45Å; K40-K42 VanDerWaalsContact C-N 3.32Å; K40-K42 PolarHBondContact O-N 3.09Å; K42-I44 PolarHBondContact O-N 3.14Å; K42-Q45 PolarHBondContact O-N 3.03Å; K42-Y409 VanDerWaalsContact C-CE1 3.45Å; K42-Y409 WeakPolarHBondContact CA-OH 3.28Å; K42-Y409 HydrophobicContact CB-CE1 3.55Å; K42-Y409 HydrophobicContact CD-CE1 3.74Å; K42-Y409 HydrophobicContact CG-CE1 3.58Å; K42-Y409 VanDerWaalsContact CG-OH 3.24Å; K42-Y409 WeakPolarHBondContact CG-OH 3.19Å; K42-Y409 WeakPolarHBondContact O-CE2 3.07Å; K42-Y409 PolarHBondContact O-OH 2.78Å
43	K	90	Very high	95.1	Very high	59 Å²	59	45.9 Å²	45.9	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-52.4	-34.7	-171.5	-169.2	-180	-172.4	-167.1	0	114.3	K39 K40 S328 R405 Y409 Y410	K39-K43 WeakPolarHBondContact O-CB 3.34Å; K39-K43 PolarHBondContact O-N 3.09Å; K40-K43 PolarHBondContact O-N 3.4Å; K40-K43 VanDerWaalsContact O-N 3.09Å; K43-S328 VanDerWaalsContact CE-CB 3.48Å; K43-S328 PolarHBondContact NZ-OG 3.14Å; K43-R405 PolarHBondContact O-NE 2.92Å; K43-R405 PolarHBondContact O-NH2 3.31Å; K43-Y409 HydrophobicContact CB-CD1 4.49Å; K43-Y409 HydrophobicContact CG-CG 4.49Å; K43-Y410 WeakPolarHBondContact CE-OH 3.33Å; K43-Y410 PolarHBondContact NZ-OH 3.25Å
44	I	93.3	Very high	95	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-97.8	-0.2	179.3	73.5	-178.7	0	0	0	114.5	M36 K40 K42 F46 F326 F335 N336	M36-I44 HydrophobicContact SD-CD1 3.87Å; K40-I44 HydrophobicContact CD-CG2 4.24Å; K40-I44 WeakPolarHBondContact O-CG1 3.3Å; K40-I44 PolarHBondContact O-N 3.15Å; K42-I44 PolarHBondContact O-N 3.14Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 HydrophobicContact CD1-CB 4.08Å; I44-F46 HydrophobicContact CD1-CD2 3.56Å; I44-F46 HydrophobicContact CD1-CE2 4.4Å; I44-F46 HydrophobicContact CD1-CG 4.18Å; I44-F46 HydrophobicContact CG1-CB 3.81Å; I44-F46 HydrophobicContact CG1-CD2 4.15Å; I44-F46 HydrophobicContact CG1-CG 4.44Å; I44-F46 PolarHBondContact O-N 2.96Å; I44-F326 HydrophobicContact CD1-CE2 3.88Å; I44-F326 HydrophobicContact CD1-CZ 3.96Å; I44-F335 HydrophobicContact CB-CD1 4.42Å; I44-F335 HydrophobicContact CB-CE1 4.17Å; I44-F335 HydrophobicContact CD1-CE1 4.22Å; I44-N336 PolarHBondContact O-ND2 3.48Å; I44-N336 VanDerWaalsContact O-ND2 3.15Å
45	Q	93.7	Very high	94.8	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.065	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	51.7	-172.2	-63	170.8	-41.4	0	0	110.6	M41 K42 D47 R48 N336 R405 Y409	M41-Q45 WeakPolarHBondContact O-CA 3.44Å; M41-Q45 PolarHBondContact O-N 2.97Å; K42-Q45 PolarHBondContact O-N 3.03Å; Q45-D47 VanDerWaalsContact CA-OD1 3.22Å; Q45-D47 WeakPolarHBondContact CA-OD1 3.3Å; Q45-D47 PolarHBondContact O-N 3.17Å; Q45-D47 VanDerWaalsContact O-N 3.16Å; Q45-R48 HydrophobicContact CB-CG 4.31Å; Q45-R48 WeakPolarHBondContact O-CB 3.45Å; Q45-R48 PolarHBondContact O-N 3.23Å; Q45-R48 VanDerWaalsContact OE1-CZ 3.29Å; Q45-N336 PolarHBondContact O-ND2 3.34Å; Q45-R405 HydrophobicContact CG-CG 4.23Å; Q45-Y409 HydrophobicContact CG-CE2 4.23Å
46	F	95.9	Very high	94.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-20	-174.3	-162.7	-109.1	0	0	0	112.6	Y34 M36 M41 I44 R48 F49 I50 V78 L339	Y34-F46 HydrophobicContact CD1-CE1 4.05Å; Y34-F46 HydrophobicContact CD2-CD1 4.31Å; Y34-F46 AromaticContact CD2-CE1 3.69Å; Y34-F46 HydrophobicContact CD2-CE1 3.69Å; Y34-F46 HydrophobicContact CE2-CE1 4.26Å; Y34-F46 AromaticContact CG-CE1 3.59Å; Y34-F46 HydrophobicContact CG-CE1 3.59Å; Y34-F46 HydrophobicContact CG-CZ 4.25Å; M36-F46 HydrophobicContact CE-CD1 4.13Å; M36-F46 HydrophobicContact CE-CD2 3.94Å; M36-F46 HydrophobicContact CE-CE1 3.84Å; M36-F46 HydrophobicContact CE-CE2 3.62Å; M36-F46 HydrophobicContact CE-CG 4.17Å; M36-F46 HydrophobicContact CE-CZ 3.55Å; M36-F46 HydrophobicContact SD-CD1 4.39Å; M36-F46 HydrophobicContact SD-CD2 4.17Å; M36-F46 HydrophobicContact SD-CE2 4.44Å; M36-F46 HydrophobicContact SD-CG 4.12Å; M41-F46 HydrophobicContact CB-CB 4.17Å; M41-F46 HydrophobicContact CE-CD1 4.11Å; M41-F46 HydrophobicContact CG-CB 4.43Å; M41-F46 PolarHBondContact O-N 3.03Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 HydrophobicContact CD1-CB 4.08Å; I44-F46 HydrophobicContact CD1-CD2 3.56Å; I44-F46 HydrophobicContact CD1-CE2 4.4Å; I44-F46 HydrophobicContact CD1-CG 4.18Å; I44-F46 HydrophobicContact CG1-CB 3.81Å; I44-F46 HydrophobicContact CG1-CD2 4.15Å; I44-F46 HydrophobicContact CG1-CG 4.44Å; I44-F46 PolarHBondContact O-N 2.96Å; F46-R48 PolarHBondContact O-N 3.43Å; F46-F49 HydrophobicContact CD2-CB 4.12Å; F46-F49 HydrophobicContact CD2-CD1 4.14Å; F46-F49 HydrophobicContact CD2-CG 4.38Å; F46-F49 AromaticContact CE1-CD1 4Å; F46-F49 HydrophobicContact CE1-CD1 4Å; F46-F49 HydrophobicContact CE2-CB 4.23Å; F46-F49 AromaticContact CE2-CD1 3.45Å; F46-F49 HydrophobicContact CE2-CD1 3.45Å; F46-F49 VanDerWaalsContact CE2-CD1 3.45Å; F46-F49 AromaticContact CE2-CE1 4Å; F46-F49 HydrophobicContact CE2-CE1 4Å; F46-F49 AromaticContact CE2-CG 3.99Å; F46-F49 HydrophobicContact CE2-CG 3.99Å; F46-F49 AromaticContact CZ-CD1 3.37Å; F46-F49 HydrophobicContact CZ-CD1 3.37Å; F46-F49 AromaticContact CZ-CE1 3.7Å; F46-F49 HydrophobicContact CZ-CE1 3.7Å; F46-F49 HydrophobicContact CZ-CG 4.34Å; F46-F49 WeakPolarHBondContact O-CA 3.49Å; F46-F49 WeakPolarHBondContact O-CB 3.45Å; F46-F49 PolarHBondContact O-N 2.92Å; F46-I50 HydrophobicContact CD1-CD1 3.85Å; F46-I50 HydrophobicContact CD1-CG1 3.98Å; F46-I50 HydrophobicContact CE1-CD1 4.22Å; F46-I50 HydrophobicContact CE1-CG1 4.05Å; F46-I50 PolarHBondContact O-N 3.2Å; F46-V78 HydrophobicContact CE2-CG1 4.33Å; F46-V78 HydrophobicContact CZ-CG1 4.3Å; F46-L339 HydrophobicContact CE2-CD2 4.11Å
47	D	95.7	Very high	94.5	Very high	90 Å²	90	65.5 Å²	65.5	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-53.6	-35.2	168.7	56.8	-71.4	0	0	0	112.9	Q45 I50 S51	Q45-D47 VanDerWaalsContact CA-OD1 3.22Å; Q45-D47 WeakPolarHBondContact CA-OD1 3.3Å; Q45-D47 PolarHBondContact O-N 3.17Å; Q45-D47 VanDerWaalsContact O-N 3.16Å; D47-I50 PolarHBondContact O-N 2.97Å; D47-S51 WeakPolarHBondContact O-CB 3.4Å; D47-S51 PolarHBondContact O-N 3.06Å; D47-S51 PolarHBondContact O-OG 3.43Å
48	R	95.6	Very high	94.6	Very high	113 Å²	113	63.9 Å²	63.9	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-38.5	175	-65.5	-178.3	172.3	176	-2	111.6	Q45 F46 K52 N336 D402	Q45-R48 HydrophobicContact CB-CG 4.31Å; Q45-R48 WeakPolarHBondContact O-CB 3.45Å; Q45-R48 PolarHBondContact O-N 3.23Å; Q45-R48 VanDerWaalsContact OE1-CZ 3.29Å; F46-R48 PolarHBondContact O-N 3.43Å; R48-K52 WeakPolarHBondContact O-CB 3.5Å; R48-K52 PolarHBondContact O-N 3.07Å; R48-N336 HydrophobicContact CB-CB 4.18Å; R48-D402 IonicContact CZ-OD2 3.42Å; R48-D402 IonicContact NH1-OD2 2.78Å; R48-D402 PolarHBondContact NH1-OD2 2.87Å; R48-D402 IonicContact NH2-OD2 3.81Å
49	F	96.8	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-43.5	175.2	175.1	-98.7	0	0	0	111.6	F46 K52 C53 I60 V78 N336 L339 L343	F46-F49 HydrophobicContact CD2-CB 4.12Å; F46-F49 HydrophobicContact CD2-CD1 4.14Å; F46-F49 HydrophobicContact CD2-CG 4.38Å; F46-F49 AromaticContact CE1-CD1 4Å; F46-F49 HydrophobicContact CE1-CD1 4Å; F46-F49 HydrophobicContact CE2-CB 4.23Å; F46-F49 AromaticContact CE2-CD1 3.45Å; F46-F49 HydrophobicContact CE2-CD1 3.45Å; F46-F49 VanDerWaalsContact CE2-CD1 3.45Å; F46-F49 AromaticContact CE2-CE1 4Å; F46-F49 HydrophobicContact CE2-CE1 4Å; F46-F49 AromaticContact CE2-CG 3.99Å; F46-F49 HydrophobicContact CE2-CG 3.99Å; F46-F49 AromaticContact CZ-CD1 3.37Å; F46-F49 HydrophobicContact CZ-CD1 3.37Å; F46-F49 AromaticContact CZ-CE1 3.7Å; F46-F49 HydrophobicContact CZ-CE1 3.7Å; F46-F49 HydrophobicContact CZ-CG 4.34Å; F46-F49 WeakPolarHBondContact O-CA 3.49Å; F46-F49 WeakPolarHBondContact O-CB 3.45Å; F46-F49 PolarHBondContact O-N 2.92Å; F49-K52 PolarHBondContact O-N 3.46Å; F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 PolarHBondContact O-SG 3.3Å; F49-I60 HydrophobicContact CD1-CD1 3.94Å; F49-I60 HydrophobicContact CE1-CD1 3.67Å; F49-V78 HydrophobicContact CZ-CG2 4.45Å; F49-N336 HydrophobicContact CB-CB 4.01Å; F49-N336 WeakPolarHBondContact CB-OD1 3.3Å; F49-L339 HydrophobicContact CD2-CB 4.15Å; F49-L339 HydrophobicContact CD2-CD2 3.74Å; F49-L339 HydrophobicContact CD2-CG 3.91Å; F49-L339 HydrophobicContact CE2-CB 4.16Å; F49-L339 HydrophobicContact CE2-CD2 3.79Å; F49-L339 HydrophobicContact CE2-CG 3.62Å; F49-L339 HydrophobicContact CG-CD2 4.12Å; F49-L339 HydrophobicContact CZ-CD2 4.23Å; F49-L339 HydrophobicContact CZ-CG 4.25Å; F49-L343 HydrophobicContact CE2-CD2 4.49Å; F49-L343 HydrophobicContact CZ-CD2 3.77Å
50	I	97.2	Very high	94.9	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.138	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-51	174	-67.6	167.8	0	0	0	110.6	Y34 M41 F46 D47 K52 C53 Q54 I60	Y34-I50 HydrophobicContact CE1-CD1 3.92Å; Y34-I50 HydrophobicContact CE1-CG1 4.28Å; M41-I50 HydrophobicContact CE-CD1 4.14Å; F46-I50 HydrophobicContact CD1-CD1 3.85Å; F46-I50 HydrophobicContact CD1-CG1 3.98Å; F46-I50 HydrophobicContact CE1-CD1 4.22Å; F46-I50 HydrophobicContact CE1-CG1 4.05Å; F46-I50 PolarHBondContact O-N 3.2Å; D47-I50 PolarHBondContact O-N 2.97Å; I50-K52 VanDerWaalsContact C-N 3.28Å; I50-K52 PolarHBondContact O-N 3.4Å; I50-C53 PolarHBondContact O-N 3.31Å; I50-Q54 WeakPolarHBondContact O-CG 3.47Å; I50-Q54 PolarHBondContact O-N 3.06Å; I50-I60 HydrophobicContact CG1-CD1 3.97Å; I50-I60 HydrophobicContact CG2-CG2 3.89Å
51	S	96.7	Very high	95.1	Very high	67 Å²	67	56.2 Å²	56.2	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-39.5	179	-57	0	0	0	0	111.8	D47 K55	D47-S51 WeakPolarHBondContact O-CB 3.4Å; D47-S51 PolarHBondContact O-N 3.06Å; D47-S51 PolarHBondContact O-OG 3.43Å; S51-K55 WeakPolarHBondContact O-CB 3.49Å; S51-K55 PolarHBondContact O-N 3.47Å
52	K	95.8	Very high	95.3	Very high	53 Å²	53	59 Å²	59	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-46.7	176.1	-178.4	59.1	171.2	169.9	0	111.5	R48 F49 I50 Q54 K55 E56 Y340	R48-K52 WeakPolarHBondContact O-CB 3.5Å; R48-K52 PolarHBondContact O-N 3.07Å; F49-K52 PolarHBondContact O-N 3.46Å; I50-K52 VanDerWaalsContact C-N 3.28Å; I50-K52 PolarHBondContact O-N 3.4Å; K52-Q54 PolarHBondContact O-N 3.07Å; K52-K55 PolarHBondContact O-N 2.9Å; K52-E56 HydrophobicContact CD-CG 4.16Å; K52-E56 IonicContact NZ-OE1 3.99Å; K52-E56 PolarHBondContact NZ-OE1 2.89Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.31Å; K52-Y340 HydrophobicContact CD-CD1 4.49Å; K52-Y340 HydrophobicContact CG-CD1 4.03Å; K52-Y340 HydrophobicContact CG-CD2 3.87Å; K52-Y340 HydrophobicContact CG-CE2 4.42Å; K52-Y340 HydrophobicContact CG-CG 3.67Å
53	C	96.2	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-46.1	176.6	-67.3	0	0	0	0	111.7	F49 I50 E56 N57 M58 I60	F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 PolarHBondContact O-SG 3.3Å; I50-C53 PolarHBondContact O-N 3.31Å; C53-E56 CarbonylContact O-C 3.59Å; C53-E56 PolarHBondContact O-N 3.09Å; C53-N57 PolarHBondContact O-N 3.32Å; C53-M58 HydrophobicContact CB-CB 4.1Å; C53-M58 WeakPolarHBondContact O-CB 3.3Å; C53-M58 PolarHBondContact O-N 3.27Å; C53-I60 HydrophobicContact CB-CB 4.29Å; C53-I60 HydrophobicContact CB-CD1 4.21Å; C53-I60 HydrophobicContact CB-CG2 4.13Å
54	Q	95.3	Very high	95.8	Very high	106 Å²	106	53.4 Å²	53.4	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-43.6	179.5	-70.2	172.4	-21.8	0	0	112.5	I50 K52 E56 N57 I60	I50-Q54 WeakPolarHBondContact O-CG 3.47Å; I50-Q54 PolarHBondContact O-N 3.06Å; K52-Q54 PolarHBondContact O-N 3.07Å; Q54-E56 PolarHBondContact O-N 2.94Å; Q54-N57 PolarHBondContact O-N 3.08Å; Q54-N57 VanDerWaalsContact O-N 3.12Å; Q54-I60 HydrophobicContact CG-CG2 3.88Å
55	K	94.7	Very high	95.8	Very high	176 Å²	176	53.8 Å²	53.8	77%	0.765	26%	0.261	S	S	*	.	H	α-helix	trans	-59.7	-31.7	176.8	-177.1	176.7	178	178.9	0	112.5	S51 K52 N57	S51-K55 WeakPolarHBondContact O-CB 3.49Å; S51-K55 PolarHBondContact O-N 3.47Å; K52-K55 PolarHBondContact O-N 2.9Å; K55-N57 VanDerWaalsContact C-N 3.29Å
56	E	94	Very high	95.7	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	22.6	-178.9	-55.1	-78.3	168	0	0	112.2	K52 C53 Q54 M58 Y340	K52-E56 HydrophobicContact CD-CG 4.16Å; K52-E56 IonicContact NZ-OE1 3.99Å; K52-E56 PolarHBondContact NZ-OE1 2.89Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.31Å; C53-E56 CarbonylContact O-C 3.59Å; C53-E56 PolarHBondContact O-N 3.09Å; Q54-E56 PolarHBondContact O-N 2.94Å; E56-M58 VanDerWaalsContact C-N 3.33Å; E56-M58 PolarHBondContact O-N 3.25Å; E56-Y340 HydrophobicContact CB-CE2 4.02Å; E56-Y340 WeakPolarHBondContact CB-OH 3.39Å; E56-Y340 HydrophobicContact CG-CE1 4.13Å; E56-Y340 HydrophobicContact CG-CE2 4.06Å; E56-Y340 VanDerWaalsContact CG-OH 3.26Å; E56-Y340 WeakPolarHBondContact CG-OH 3.41Å
57	N	92.8	Very high	95.6	Very high	105 Å²	105	63 Å²	63	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	36.5	176.4	-163.1	29.4	0	0	0	114.5	R29 C53 Q54 K55	R29-N57 VanDerWaalsContact CG-O 3.25Å; R29-N57 WeakPolarHBondContact CG-O 3.38Å; C53-N57 PolarHBondContact O-N 3.32Å; Q54-N57 PolarHBondContact O-N 3.08Å; Q54-N57 VanDerWaalsContact O-N 3.12Å; K55-N57 VanDerWaalsContact C-N 3.29Å
58	M	95.1	Very high	95.4	Very high	7 Å²	7	59.4 Å²	59.4	3%	0.034	29%	0.291	C	S	.	.			trans	-96	143.9	166.3	-57.4	-174.7	-169.3	0	0	110.7	R29 W30 C53 E56 Y340 V344	R29-M58 VanDerWaalsContact NE-C 3.31Å; R29-M58 PolarHBondContact NH2-O 3.12Å; W30-M58 HydrophobicContact CB-CG 4.35Å; W30-M58 HydrophobicContact CD2-CE 4.42Å; W30-M58 HydrophobicContact CE3-CE 3.2Å; W30-M58 HydrophobicContact CE3-CG 4.39Å; W30-M58 HydrophobicContact CE3-SD 3.78Å; W30-M58 HydrophobicContact CZ3-CE 3.38Å; W30-M58 HydrophobicContact CZ3-SD 4.46Å; C53-M58 HydrophobicContact CB-CB 4.1Å; C53-M58 WeakPolarHBondContact O-CB 3.3Å; C53-M58 PolarHBondContact O-N 3.27Å; E56-M58 VanDerWaalsContact C-N 3.33Å; E56-M58 PolarHBondContact O-N 3.25Å; M58-Y340 HydrophobicContact CE-CD2 4.43Å; M58-Y340 HydrophobicContact CE-CE2 3.36Å; M58-Y340 VanDerWaalsContact CE-OH 3.28Å; M58-Y340 WeakPolarHBondContact CE-OH 3.48Å; M58-Y340 HydrophobicContact SD-CE2 3.82Å; M58-V344 HydrophobicContact CE-CG2 3.66Å
59	E	96.2	Very high	95.2	Very high	68 Å²	68	59.5 Å²	59.5	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	164.4	-170.8	-173.8	157.7	0	0	107.9	R29 W30 R31 I32	R29-E59 HydrophobicContact CG-CB 4.18Å; W30-E59 PolarHBondContact O-N 3.07Å; R31-E59 CarbonylContact C-O 3.53Å; R31-E59 WeakPolarHBondContact CA-O 3.43Å; R31-E59 HydrophobicContact CB-CB 4.26Å; R31-E59 WeakPolarHBondContact CD-OE1 3.5Å; R31-E59 VanDerWaalsContact CD-OE2 3.3Å; R31-E59 WeakPolarHBondContact CD-OE2 3.46Å; R31-E59 HydrophobicContact CG-CB 4.07Å; R31-E59 VanDerWaalsContact CG-CD 3.5Å; R31-E59 HydrophobicContact CG-CG 4.02Å; R31-E59 WeakPolarHBondContact CG-OE2 3.47Å; R31-E59 IonicContact CZ-OE1 2.96Å; R31-E59 IonicContact NE-OE1 3.65Å; R31-E59 PolarHBondContact NE-OE1 3.25Å; R31-E59 IonicContact NE-OE2 3.62Å; R31-E59 IonicContact NH2-OE1 3.68Å; I32-E59 PolarHBondContact N-O 2.91Å
60	I	97.3	Very high	95.1	Very high	20 Å²	20	63.3 Å²	63.3	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.4	177	-175	161.5	0	0	0	108.5	I32 Y34 F49 I50 C53 Q54	I32-I60 HydrophobicContact CB-CG1 4.45Å; I32-I60 VanDerWaalsContact O-CA 3.3Å; I32-I60 WeakPolarHBondContact O-CA 3.31Å; Y34-I60 HydrophobicContact CD1-CD1 4.08Å; Y34-I60 HydrophobicContact CD1-CG1 3.68Å; Y34-I60 HydrophobicContact CE1-CG1 4.09Å; F49-I60 HydrophobicContact CD1-CD1 3.94Å; F49-I60 HydrophobicContact CE1-CD1 3.67Å; I50-I60 HydrophobicContact CG1-CD1 3.97Å; I50-I60 HydrophobicContact CG2-CG2 3.89Å; C53-I60 HydrophobicContact CB-CB 4.29Å; C53-I60 HydrophobicContact CB-CD1 4.21Å; C53-I60 HydrophobicContact CB-CG2 4.13Å; Q54-I60 HydrophobicContact CG-CG2 3.88Å
61	L	97.4	Very high	94.9	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.4	-175.8	64.7	96.4	0	0	0	111.1	R31 I32 G33 Y34 L63 Q71 L74	R31-L61 HydrophobicContact CG-CD2 4.11Å; I32-L61 PolarHBondContact O-N 3.48Å; G33-L61 CarbonylContact C-O 3.55Å; G33-L61 WeakPolarHBondContact CA-O 3.39Å; Y34-L61 VanDerWaalsContact CD1-C 3.5Å; Y34-L61 WeakPolarHBondContact CD1-O 3.4Å; Y34-L61 VanDerWaalsContact CE1-C 3.41Å; Y34-L61 PolarHBondContact N-O 2.76Å; L61-L63 HydrophobicContact CD1-CD2 4.06Å; L61-Q71 HydrophobicContact CD1-CB 4.39Å; L61-Q71 HydrophobicContact CD1-CG 4.24Å; L61-L74 HydrophobicContact CD2-CD2 4.29Å
62	E	97.7	Very high	94.8	Very high	94 Å²	94	61.4 Å²	61.4	44%	0.439	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.8	168.9	-161.5	156.3	161.9	0	0	108.6	Y34 W35 D64	Y34-E62 HydrophobicContact CD2-CG 4.27Å; Y34-E62 HydrophobicContact CE1-CB 4.05Å; Y34-E62 VanDerWaalsContact CE1-N 3.34Å; Y34-E62 HydrophobicContact CE2-CB 3.81Å; Y34-E62 HydrophobicContact CE2-CG 3.58Å; Y34-E62 WeakPolarHBondContact OH-CB 3.41Å; Y34-E62 PolarHBondContact OH-OE2 2.87Å; W35-E62 HydrophobicContact CE3-CG 4.3Å; E62-D64 PolarHBondContact O-N 3.05Å
63	L	97.4	Very high	94.7	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.331	C	S	.	.			trans	-68.4	125.4	-178	-67.1	179.1	0	0	0	110.9	Y34 W35 L61 F65 I68 L74 I77	Y34-L63 PolarHBondContact O-N 2.79Å; W35-L63 HydrophobicContact CB-CB 4.5Å; W35-L63 HydrophobicContact CB-CD1 4.34Å; W35-L63 HydrophobicContact CE3-CB 4.33Å; W35-L63 WeakPolarHBondContact CZ3-O 3.13Å; L61-L63 HydrophobicContact CD1-CD2 4.06Å; L63-F65 HydrophobicContact CB-CE2 4.11Å; L63-F65 HydrophobicContact CB-CZ 4.46Å; L63-F65 HydrophobicContact CD1-CZ 4.12Å; L63-I68 HydrophobicContact CB-CD1 4.36Å; L63-I68 HydrophobicContact CD1-CD1 4.44Å; L63-I68 HydrophobicContact CD2-CD1 3.87Å; L63-I68 HydrophobicContact CG-CD1 4.46Å; L63-L74 HydrophobicContact CD2-CD1 3.74Å; L63-I77 HydrophobicContact CD1-CD1 3.98Å; L63-I77 HydrophobicContact CD1-CG1 4.18Å; L63-I77 HydrophobicContact CD1-CG2 3.65Å
64	D	96.2	Very high	94.7	Very high	67 Å²	67	63.8 Å²	63.8	36%	0.358	33%	0.332	S	S	.	.			trans	-92.1	102.6	163.7	174.4	11.6	0	0	0	109.3	E62 D66 N67 I68 Q71	E62-D64 PolarHBondContact O-N 3.05Å; D64-D66 PolarHBondContact O-N 2.69Å; D64-D66 WeakPolarHBondContact OD1-CB 3.35Å; D64-D66 PolarHBondContact OD1-N 3.38Å; D64-N67 CarbonylContact O-C 3.46Å; D64-N67 PolarHBondContact O-N 2.82Å; D64-N67 PolarHBondContact OD2-ND2 2.9Å; D64-I68 WeakPolarHBondContact O-CA 3.46Å; D64-I68 PolarHBondContact O-N 3.08Å; D64-I68 VanDerWaalsContact O-N 3.11Å; D64-Q71 PolarHBondContact O-NE2 3.01Å
65	F	94.3	Very high	94.8	Very high	8 Å²	8	61 Å²	61	4%	0.035	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64	-22.6	-180	-77.1	-82.8	0	0	0	112.8	W35 L63 N67 I98 K101 M102	W35-F65 HydrophobicContact CB-CE2 4.05Å; W35-F65 HydrophobicContact CB-CZ 4.44Å; W35-F65 HydrophobicContact CD2-CD2 4.01Å; W35-F65 AromaticContact CD2-CE2 3.44Å; W35-F65 HydrophobicContact CD2-CE2 3.44Å; W35-F65 VanDerWaalsContact CD2-CE2 3.44Å; W35-F65 AromaticContact CE2-CE2 3.76Å; W35-F65 AromaticContact CE3-CD2 3.99Å; W35-F65 HydrophobicContact CE3-CD2 3.99Å; W35-F65 AromaticContact CE3-CE2 3.75Å; W35-F65 HydrophobicContact CE3-CE2 3.75Å; W35-F65 AromaticContact CG-CE2 3.58Å; W35-F65 HydrophobicContact CG-CE2 3.58Å; W35-F65 HydrophobicContact CG-CZ 4.29Å; W35-F65 HydrophobicContact CH2-CD2 4.2Å; W35-F65 HydrophobicContact CZ2-CD2 4.22Å; W35-F65 HydrophobicContact CZ2-CE2 4.33Å; W35-F65 HydrophobicContact CZ3-CD2 4.1Å; W35-F65 HydrophobicContact CZ3-CE2 4.32Å; L63-F65 HydrophobicContact CB-CE2 4.11Å; L63-F65 HydrophobicContact CB-CZ 4.46Å; L63-F65 HydrophobicContact CD1-CZ 4.12Å; F65-N67 VanDerWaalsContact C-N 3.3Å; F65-N67 PolarHBondContact O-N 2.8Å; F65-I98 HydrophobicContact CB-CG1 4.34Å; F65-I98 HydrophobicContact CD1-CG2 4.33Å; F65-I98 HydrophobicContact CD2-CB 4.5Å; F65-I98 HydrophobicContact CD2-CG1 3.95Å; F65-I98 HydrophobicContact CD2-CG2 4.05Å; F65-I98 HydrophobicContact CE1-CG2 4.05Å; F65-I98 HydrophobicContact CE2-CG1 4.48Å; F65-I98 HydrophobicContact CE2-CG2 3.76Å; F65-I98 HydrophobicContact CG-CB 4.49Å; F65-I98 HydrophobicContact CG-CG1 4.06Å; F65-I98 HydrophobicContact CG-CG2 4.33Å; F65-I98 HydrophobicContact CZ-CG2 3.76Å; F65-K101 HydrophobicContact CB-CD 4.05Å; F65-K101 HydrophobicContact CD1-CB 3.9Å; F65-K101 HydrophobicContact CD1-CD 4.44Å; F65-K101 WeakPolarHBondContact O-CD 3.42Å; F65-K101 WeakPolarHBondContact O-CE 3.39Å; F65-K101 PolarHBondContact O-NZ 3.18Å; F65-M102 HydrophobicContact CE1-CB 4.12Å; F65-M102 HydrophobicContact CE1-SD 4.37Å; F65-M102 HydrophobicContact CZ-SD 4.45Å
66	D	92.1	Very high	94.9	Very high	111 Å²	111	52.6 Å²	52.6	59%	0.594	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-73.1	-25.5	178.2	-66.1	-30.6	0	0	0	112.8	D64 K101	D64-D66 PolarHBondContact O-N 2.69Å; D64-D66 WeakPolarHBondContact OD1-CB 3.35Å; D64-D66 PolarHBondContact OD1-N 3.38Å; D66-K101 IonicContact OD1-NZ 3.15Å; D66-K101 PolarHBondContact OD1-NZ 3.07Å
67	N	92.9	Very high	95.1	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-126.9	39.1	178.9	-59.9	-68.3	0	0	0	112.3	D64 F65 E69 A70 Q71	D64-N67 CarbonylContact O-C 3.46Å; D64-N67 PolarHBondContact O-N 2.82Å; D64-N67 PolarHBondContact OD2-ND2 2.9Å; F65-N67 VanDerWaalsContact C-N 3.3Å; F65-N67 PolarHBondContact O-N 2.8Å; N67-E69 VanDerWaalsContact C-N 3.29Å; N67-E69 PolarHBondContact O-N 2.79Å; N67-A70 HydrophobicContact CB-CB 4.48Å; N67-A70 PolarHBondContact O-N 3.37Å; N67-A70 VanDerWaalsContact O-N 3.14Å; N67-Q71 VanDerWaalsContact C-NE2 3.33Å; N67-Q71 PolarHBondContact O-NE2 2.89Å
68	I	92.3	Very high	95.4	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.072	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.1	-39.4	-172.3	-165.7	65.2	0	0	0	113	L63 D64 A70 Q71 L105	L63-I68 HydrophobicContact CB-CD1 4.36Å; L63-I68 HydrophobicContact CD1-CD1 4.44Å; L63-I68 HydrophobicContact CD2-CD1 3.87Å; L63-I68 HydrophobicContact CG-CD1 4.46Å; D64-I68 WeakPolarHBondContact O-CA 3.46Å; D64-I68 PolarHBondContact O-N 3.08Å; D64-I68 VanDerWaalsContact O-N 3.11Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 PolarHBondContact O-N 3.24Å; I68-Q71 WeakPolarHBondContact O-CB 3.25Å; I68-Q71 PolarHBondContact O-N 3.4Å; I68-L105 HydrophobicContact CD1-CD1 3.88Å; I68-L105 HydrophobicContact CG1-CD1 3.52Å
69	E	91.2	Very high	95.5	Very high	115 Å²	115	43.6 Å²	43.6	54%	0.537	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.9	-37.1	179.3	-62.6	-60.6	151.8	0	0	112.6	N67 Q71 L72	N67-E69 VanDerWaalsContact C-N 3.29Å; N67-E69 PolarHBondContact O-N 2.79Å; E69-Q71 PolarHBondContact O-N 2.96Å; E69-L72 WeakPolarHBondContact O-CB 3.41Å; E69-L72 PolarHBondContact O-N 3.28Å; E69-L72 WeakPolarHBondContact OE2-CD1 3.39Å
70	A	94	Very high	95.5	Very high	81 Å²	81	41.9 Å²	41.9	67%	0.669	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-71.2	-14.1	178.5	0	0	0	0	0	113	N67 I68	N67-A70 HydrophobicContact CB-CB 4.48Å; N67-A70 PolarHBondContact O-N 3.37Å; N67-A70 VanDerWaalsContact O-N 3.14Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 PolarHBondContact O-N 3.24Å
71	Q	94.5	Very high	95.4	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.103	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-92.7	-2.2	178.3	-68.8	161.2	85.7	0	0	113.1	R31 L61 D64 N67 I68 E69 L74	R31-Q71 PolarHBondContact NH1-O 3.15Å; R31-Q71 PolarHBondContact NH2-O 3.5Å; L61-Q71 HydrophobicContact CD1-CB 4.39Å; L61-Q71 HydrophobicContact CD1-CG 4.24Å; D64-Q71 PolarHBondContact O-NE2 3.01Å; N67-Q71 VanDerWaalsContact C-NE2 3.33Å; N67-Q71 PolarHBondContact O-NE2 2.89Å; I68-Q71 WeakPolarHBondContact O-CB 3.25Å; I68-Q71 PolarHBondContact O-N 3.4Å; E69-Q71 PolarHBondContact O-N 2.96Å; Q71-L74 WeakPolarHBondContact O-CD2 3.25Å
72	L	93.3	Very high	95.2	Very high	31 Å²	31	40 Å²	40	16%	0.162	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.3	158.4	173	-63.1	173.1	0	0	0	111.1	R31 E69 L74 H109	R31-L72 PolarHBondContact NH1-O 3.02Å; R31-L72 VanDerWaalsContact NH1-O 3.08Å; E69-L72 WeakPolarHBondContact O-CB 3.41Å; E69-L72 PolarHBondContact O-N 3.28Å; E69-L72 WeakPolarHBondContact OE2-CD1 3.39Å; L72-L74 HydrophobicContact CD2-CB 4.37Å; L72-L74 HydrophobicContact CD2-CD1 4.35Å; L72-L74 HydrophobicContact CD2-CG 4.14Å; L72-H109 VanDerWaalsContact CD1-NE2 3.3Å; L72-H109 WeakPolarHBondContact CD1-NE2 3.42Å
73	P	94.3	Very high	94.8	Very high	97 Å²	97	38.6 Å²	38.6	63%	0.63	22%	0.215	S	C	*	.	P	Polyproline II helix	cis	-75.6	137.7	-5.5	31.5	-34.1	0	0	0	112	R31	R31-P73 WeakPolarHBondContact CD-O 3.29Å
74	L	96.1	Very high	94.6	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-102	155.6	168.8	-65	175.5	0	0	0	109.6	R31 L61 L63 Q71 L72 I77 V112	R31-L74 HydrophobicContact CG-CD2 3.87Å; L61-L74 HydrophobicContact CD2-CD2 4.29Å; L63-L74 HydrophobicContact CD2-CD1 3.74Å; Q71-L74 WeakPolarHBondContact O-CD2 3.25Å; L72-L74 HydrophobicContact CD2-CB 4.37Å; L72-L74 HydrophobicContact CD2-CD1 4.35Å; L72-L74 HydrophobicContact CD2-CG 4.14Å; L74-I77 HydrophobicContact CD1-CD1 3.91Å; L74-I77 HydrophobicContact CD1-CG1 3.89Å; L74-V112 HydrophobicContact CB-CG1 4.2Å; L74-V112 HydrophobicContact CB-CG2 4.34Å; L74-V112 WeakPolarHBondContact O-CG2 3.21Å
75	H	96.7	Very high	94.4	Very high	47 Å²	47	36 Å²	36	22%	0.218	20%	0.201	C	C	.	.	S	Bend	trans	-104.2	-30	173.1	-63.9	85	0	0	0	111.9	W30 R31 I32 L113 L347 R351	W30-H75 AromaticContact CD1-CD2 3.92Å; R31-H75 PolarHBondContact N-ND1 3.06Å; R31-H75 PolarHBondContact O-N 3.37Å; I32-H75 HydrophobicContact CD1-CB 4.49Å; H75-L113 PolarHBondContact O-N 3.47Å; H75-L347 HydrophobicContact CB-CD2 3.83Å; H75-L347 WeakPolarHBondContact O-CD2 3.27Å; H75-R351 PolarHBondContact NE2-NH2 2.66Å
76	A	97.7	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.6	174.4	0	0	0	0	0	111.2	I32 G33 L113 L343 L347	I32-A76 WeakPolarHBondContact CA-O 3.29Å; I32-A76 HydrophobicContact CD1-CB 3.86Å; I32-A76 HydrophobicContact CG2-CB 4.47Å; G33-A76 PolarHBondContact N-O 3.24Å; A76-L113 CarbonylContact C-O 3.52Å; A76-L113 WeakPolarHBondContact CA-O 3.14Å; A76-L113 HydrophobicContact CB-CB 3.75Å; A76-L113 HydrophobicContact CB-CD2 4.32Å; A76-L113 HydrophobicContact CB-CG 4.38Å; A76-L113 WeakPolarHBondContact CB-O 3.37Å; A76-L343 HydrophobicContact CB-CD1 3.74Å; A76-L347 HydrophobicContact CB-CD2 4.05Å
77	I	98.1	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.3	169.3	-64.9	173.1	0	0	0	109	G33 L63 L74 H79 M102 L105 V112 L113 I114 L115	G33-I77 CarbonylContact O-C 3.55Å; G33-I77 VanDerWaalsContact O-CA 3.29Å; G33-I77 WeakPolarHBondContact O-CA 3.16Å; L63-I77 HydrophobicContact CD1-CD1 3.98Å; L63-I77 HydrophobicContact CD1-CG1 4.18Å; L63-I77 HydrophobicContact CD1-CG2 3.65Å; L74-I77 HydrophobicContact CD1-CD1 3.91Å; L74-I77 HydrophobicContact CD1-CG1 3.89Å; I77-H79 HydrophobicContact CG2-CB 4.24Å; I77-M102 HydrophobicContact CB-CE 4.31Å; I77-M102 HydrophobicContact CD1-CE 4.2Å; I77-M102 HydrophobicContact CD1-SD 4.3Å; I77-M102 HydrophobicContact CG2-CE 3.86Å; I77-M102 HydrophobicContact CG2-SD 4.44Å; I77-L105 HydrophobicContact CD1-CD1 3.79Å; I77-L105 HydrophobicContact CD1-CD2 3.49Å; I77-L105 VanDerWaalsContact CD1-CD2 3.49Å; I77-L105 HydrophobicContact CD1-CG 4.33Å; I77-V112 HydrophobicContact CD1-CG1 4.12Å; I77-V112 HydrophobicContact CG1-CG1 4Å; I77-L113 PolarHBondContact N-O 2.98Å; I77-I114 HydrophobicContact CB-CD1 3.99Å; I77-I114 HydrophobicContact CD1-CD1 3.84Å; I77-I114 HydrophobicContact CG1-CD1 4.2Å; I77-L115 PolarHBondContact O-N 3.31Å
78	V	98.1	Very high	94.1	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.6	173.3	-177.2	0	0	0	0	109	I32 G33 Y34 W35 F46 F49 L115 F326	I32-V78 HydrophobicContact CG2-CG2 4.21Å; G33-V78 PolarHBondContact O-N 3.09Å; Y34-V78 WeakPolarHBondContact CA-O 3.28Å; Y34-V78 WeakPolarHBondContact CB-O 3.03Å; W35-V78 PolarHBondContact N-O 2.92Å; W35-V78 VanDerWaalsContact N-O 3.1Å; F46-V78 HydrophobicContact CE2-CG1 4.33Å; F46-V78 HydrophobicContact CZ-CG1 4.3Å; F49-V78 HydrophobicContact CZ-CG2 4.45Å; V78-L115 HydrophobicContact CG2-CD1 4.27Å; V78-F326 HydrophobicContact CG1-CE1 3.78Å; V78-F326 HydrophobicContact CG1-CZ 4.42Å
79	H	97.8	Very high	93.8	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162.6	-174.2	77.3	83.3	0	0	0	114.6	W35 I77 L81 L115 D116 I118 F326	W35-H79 HydrophobicContact CB-CB 4.49Å; W35-H79 CarbonylContact O-C 3.59Å; W35-H79 WeakPolarHBondContact O-CA 3.26Å; W35-H79 WeakPolarHBondContact O-CB 3.49Å; I77-H79 HydrophobicContact CG2-CB 4.24Å; H79-L81 HydrophobicContact CB-CD1 4.26Å; H79-L81 HydrophobicContact CB-CG 4.21Å; H79-L81 WeakPolarHBondContact ND1-CG 3.31Å; H79-L81 PolarHBondContact ND1-N 3.4Å; H79-L115 PolarHBondContact CD2-O 3.22Å; H79-L115 PolarHBondContact N-O 3.07Å; H79-L115 VanDerWaalsContact N-O 3.08Å; H79-D116 PolarHBondContact CE1-O 3.29Å; H79-D116 PolarHBondContact NE2-N 3.08Å; H79-D116 PolarHBondContact NE2-O 3.37Å; H79-I118 VanDerWaalsContact CE1-CD1 3.43Å; H79-I118 WeakPolarHBondContact CE1-CD1 3.44Å; H79-F326 WeakPolarHBondContact O-CD1 3.41Å
80	K	96.8	Very high	93.5	Very high	31 Å²	31	31.9 Å²	31.9	14%	0.135	18%	0.181	C	C	.	.			trans	-137.2	78	167.3	-179.2	41.2	161.4	163.8	0	109.4	W35 M36 K40 S82 T325 F326	W35-K80 PolarHBondContact O-N 2.97Å; M36-K80 HydrophobicContact CB-CB 3.91Å; K40-K80 HydrophobicContact CD-CG 4.23Å; K40-K80 HydrophobicContact CG-CB 4.37Å; K40-K80 HydrophobicContact CG-CG 4.2Å; K80-S82 VanDerWaalsContact CE-OG 3.3Å; K80-S82 WeakPolarHBondContact CE-OG 3.43Å; K80-S82 PolarHBondContact NZ-OG 3.34Å; K80-T325 WeakPolarHBondContact CE-O 3.29Å; K80-T325 PolarHBondContact NZ-O 2.66Å; K80-T325 PolarHBondContact NZ-OG1 2.84Å; K80-F326 HydrophobicContact CB-CD1 4.36Å; K80-F326 HydrophobicContact CD-CB 3.96Å; K80-F326 WeakPolarHBondContact CE-O 3.28Å; K80-F326 HydrophobicContact CG-CB 4.43Å
81	L	95.4	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.			trans	-91.7	4.3	-175.8	-74.7	169.4	0	0	0	115.3	W35 H79 D83 F84 I85 I98 I99 M102 I118	W35-L81 HydrophobicContact CG-CD2 4.43Å; H79-L81 HydrophobicContact CB-CD1 4.26Å; H79-L81 HydrophobicContact CB-CG 4.21Å; H79-L81 WeakPolarHBondContact ND1-CG 3.31Å; H79-L81 PolarHBondContact ND1-N 3.4Å; L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.91Å; L81-D83 VanDerWaalsContact O-N 3.16Å; L81-F84 HydrophobicContact CD2-CB 3.96Å; L81-F84 HydrophobicContact CD2-CD2 3.78Å; L81-F84 HydrophobicContact CD2-CE2 4.43Å; L81-F84 HydrophobicContact CD2-CG 3.89Å; L81-F84 CarbonylContact O-C 3.5Å; L81-F84 WeakPolarHBondContact O-CA 3.48Å; L81-F84 WeakPolarHBondContact O-CB 3.3Å; L81-F84 PolarHBondContact O-N 3.42Å; L81-I85 PolarHBondContact O-N 3.4Å; L81-I98 HydrophobicContact CD2-CG2 3.56Å; L81-I99 HydrophobicContact CB-CD1 3.98Å; L81-I99 HydrophobicContact CD1-CD1 4.26Å; L81-I99 HydrophobicContact CD2-CD1 4.24Å; L81-I99 HydrophobicContact CG-CD1 4.4Å; L81-M102 HydrophobicContact CD1-CB 4.22Å; L81-M102 HydrophobicContact CD1-CG 3.78Å; L81-M102 HydrophobicContact CD1-SD 4.34Å; L81-I118 HydrophobicContact CB-CD1 4.42Å; L81-I118 HydrophobicContact CD1-CD1 3.65Å
82	S	91.8	Very high	93.2	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-52.6	-42.3	-177	59.6	0	0	0	0	114	K80 F84 I85 V86 C125	K80-S82 VanDerWaalsContact CE-OG 3.3Å; K80-S82 WeakPolarHBondContact CE-OG 3.43Å; K80-S82 PolarHBondContact NZ-OG 3.34Å; S82-F84 VanDerWaalsContact C-N 3.31Å; S82-I85 PolarHBondContact O-N 2.95Å; S82-V86 WeakPolarHBondContact O-CG2 3.29Å; S82-V86 PolarHBondContact O-N 3.01Å; S82-V86 VanDerWaalsContact O-N 3.13Å; S82-C125 PolarHBondContact O-SG 3.18Å
83	D	90.3	Very high	93.3	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-70.1	-34.6	-178.5	-60.4	-3.5	0	0	0	110.4	L81 V86 Q87	L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.91Å; L81-D83 VanDerWaalsContact O-N 3.16Å; D83-V86 PolarHBondContact O-N 2.93Å; D83-Q87 WeakPolarHBondContact O-CB 3.42Å; D83-Q87 WeakPolarHBondContact O-CG 3.44Å; D83-Q87 PolarHBondContact O-N 3.12Å
84	F	93.2	Very high	93.3	Very high	16 Å²	16	39.5 Å²	39.5	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-70.4	-36.5	175.3	-67.9	-95.9	0	0	0	111.8	W35 T37 L81 S82 Q87 S88 Y94 A95 I98 I99	W35-F84 HydrophobicContact CZ2-CE1 4.41Å; W35-F84 HydrophobicContact CZ2-CZ 4.25Å; W35-F84 AromaticContact NE1-CE1 3.96Å; W35-F84 AromaticContact NE1-CE2 3.62Å; W35-F84 AromaticContact NE1-CZ 3.47Å; T37-F84 HydrophobicContact CG2-CE2 3.78Å; T37-F84 HydrophobicContact CG2-CZ 4.29Å; L81-F84 HydrophobicContact CD2-CB 3.96Å; L81-F84 HydrophobicContact CD2-CD2 3.78Å; L81-F84 HydrophobicContact CD2-CE2 4.43Å; L81-F84 HydrophobicContact CD2-CG 3.89Å; L81-F84 CarbonylContact O-C 3.5Å; L81-F84 WeakPolarHBondContact O-CA 3.48Å; L81-F84 WeakPolarHBondContact O-CB 3.3Å; L81-F84 PolarHBondContact O-N 3.42Å; S82-F84 VanDerWaalsContact C-N 3.31Å; F84-Q87 PolarHBondContact O-N 2.84Å; F84-S88 WeakPolarHBondContact O-CB 3.34Å; F84-S88 PolarHBondContact O-N 3.32Å; F84-Y94 HydrophobicContact CE1-CD1 4.4Å; F84-Y94 AromaticContact CE1-CE1 3.96Å; F84-Y94 HydrophobicContact CE1-CE1 3.96Å; F84-A95 HydrophobicContact CB-CB 4.22Å; F84-A95 HydrophobicContact CD1-CB 4.01Å; F84-A95 WeakPolarHBondContact O-CB 3.42Å; F84-I98 HydrophobicContact CD1-CD1 3.74Å; F84-I98 HydrophobicContact CE1-CD1 3.52Å; F84-I98 HydrophobicContact CZ-CD1 4.47Å; F84-I99 HydrophobicContact CB-CD1 4.01Å; F84-I99 HydrophobicContact CB-CG1 4.3Å
85	I	92.6	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-49.7	172	-68.5	172.9	0	0	0	109.8	L81 S82 Q87 S88 D89 I99 I118 V121 R122 C125	L81-I85 PolarHBondContact O-N 3.4Å; S82-I85 PolarHBondContact O-N 2.95Å; I85-Q87 PolarHBondContact O-N 3.47Å; I85-S88 WeakPolarHBondContact O-CB 3.2Å; I85-S88 PolarHBondContact O-N 3.27Å; I85-D89 VanDerWaalsContact O-CG 3.27Å; I85-D89 PolarHBondContact O-N 3.06Å; I85-I99 HydrophobicContact CG1-CD1 3.54Å; I85-I99 HydrophobicContact CG1-CG1 4.18Å; I85-I118 HydrophobicContact CD1-CG2 4.44Å; I85-V121 HydrophobicContact CD1-CB 3.96Å; I85-V121 HydrophobicContact CD1-CG1 3.62Å; I85-R122 HydrophobicContact CD1-CB 4.29Å; I85-R122 HydrophobicContact CG2-CB 4.38Å; I85-R122 HydrophobicContact CG2-CG 4.1Å; I85-C125 HydrophobicContact CG2-CB 4.2Å
86	V	89.1	Confident	93.2	Very high	37 Å²	37	41.2 Å²	41.2	22%	0.224	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-41.9	179.3	175.3	0	0	0	0	111.5	S82 D83 D89 Q90 C125	S82-V86 WeakPolarHBondContact O-CG2 3.29Å; S82-V86 PolarHBondContact O-N 3.01Å; S82-V86 VanDerWaalsContact O-N 3.13Å; D83-V86 PolarHBondContact O-N 2.93Å; V86-D89 PolarHBondContact O-N 3.36Å; V86-Q90 VanDerWaalsContact O-CG 3.24Å; V86-Q90 WeakPolarHBondContact O-CG 3.36Å; V86-Q90 PolarHBondContact O-N 2.94Å; V86-Q90 VanDerWaalsContact O-N 3.07Å; V86-C125 HydrophobicContact CG2-CB 3.98Å
87	Q	89.9	Confident	93.1	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-42.2	177	-74	165.1	13.5	0	0	112.1	D83 F84 I85 D89 Q90 G91 D92 A95	D83-Q87 WeakPolarHBondContact O-CB 3.42Å; D83-Q87 WeakPolarHBondContact O-CG 3.44Å; D83-Q87 PolarHBondContact O-N 3.12Å; F84-Q87 PolarHBondContact O-N 2.84Å; I85-Q87 PolarHBondContact O-N 3.47Å; Q87-D89 VanDerWaalsContact C-N 3.34Å; Q87-D89 PolarHBondContact O-N 3.14Å; Q87-Q90 CarbonylContact O-C 3.57Å; Q87-Q90 WeakPolarHBondContact O-CA 3.43Å; Q87-Q90 WeakPolarHBondContact O-CB 3.33Å; Q87-Q90 PolarHBondContact O-N 3.37Å; Q87-Q90 VanDerWaalsContact O-N 3.1Å; Q87-G91 PolarHBondContact O-N 3.02Å; Q87-G91 VanDerWaalsContact O-N 3.16Å; Q87-D92 HydrophobicContact CB-CB 3.93Å; Q87-D92 VanDerWaalsContact O-CB 3.32Å; Q87-D92 WeakPolarHBondContact O-CB 3.45Å; Q87-D92 PolarHBondContact O-N 2.85Å; Q87-A95 HydrophobicContact CB-CB 3.6Å
88	S	92.4	Very high	93	Very high	17 Å²	17	43.9 Å²	43.9	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-48.1	174	171.6	0	0	0	0	110.8	F84 I85 Q90 G91 K96	F84-S88 WeakPolarHBondContact O-CB 3.34Å; F84-S88 PolarHBondContact O-N 3.32Å; I85-S88 WeakPolarHBondContact O-CB 3.2Å; I85-S88 PolarHBondContact O-N 3.27Å; S88-Q90 PolarHBondContact O-N 3.02Å; S88-G91 PolarHBondContact O-N 2.89Å; S88-K96 WeakPolarHBondContact OG-CA 3.49Å
89	D	87.2	Confident	93	Very high	59 Å²	59	43.9 Å²	43.9	32%	0.316	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-20.8	178.8	-66.2	-8.3	0	0	0	112.5	I85 V86 Q87 R122 V180	I85-D89 VanDerWaalsContact O-CG 3.27Å; I85-D89 PolarHBondContact O-N 3.06Å; V86-D89 PolarHBondContact O-N 3.36Å; Q87-D89 VanDerWaalsContact C-N 3.34Å; Q87-D89 PolarHBondContact O-N 3.14Å; D89-R122 IonicContact OD1-NH1 2.76Å; D89-R122 PolarHBondContact OD1-NH1 3.13Å; D89-R122 VanDerWaalsContact OD1-NH1 3.14Å; D89-R122 IonicContact OD2-NH1 2.67Å; D89-V180 HydrophobicContact CB-CG1 4.42Å
90	Q	85.2	Confident	92.9	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.7	172.6	-71.1	172.7	1.1	0	0	113.7	V86 Q87 S88	V86-Q90 VanDerWaalsContact O-CG 3.24Å; V86-Q90 WeakPolarHBondContact O-CG 3.36Å; V86-Q90 PolarHBondContact O-N 2.94Å; V86-Q90 VanDerWaalsContact O-N 3.07Å; Q87-Q90 CarbonylContact O-C 3.57Å; Q87-Q90 WeakPolarHBondContact O-CA 3.43Å; Q87-Q90 WeakPolarHBondContact O-CB 3.33Å; Q87-Q90 PolarHBondContact O-N 3.37Å; Q87-Q90 VanDerWaalsContact O-N 3.1Å; S88-Q90 PolarHBondContact O-N 3.02Å
91	G	88.9	Confident	92.8	Very high	53 Å²	53	48.8 Å²	48.8	55%	0.546	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	10.4	176.2	0	0	0	0	0	115.5	Q87 S88 L93	Q87-G91 PolarHBondContact O-N 3.02Å; Q87-G91 VanDerWaalsContact O-N 3.16Å; S88-G91 PolarHBondContact O-N 2.89Å; G91-L93 PolarHBondContact O-N 3.41Å
92	D	92.6	Very high	92.9	Very high	67 Å²	67	48.8 Å²	48.8	36%	0.358	25%	0.252	S	S	.	.			trans	-68.1	113.7	172.4	-173.1	-73	0	0	0	110.3	Q87 Y94 A95 K96	Q87-D92 HydrophobicContact CB-CB 3.93Å; Q87-D92 VanDerWaalsContact O-CB 3.32Å; Q87-D92 WeakPolarHBondContact O-CB 3.45Å; Q87-D92 PolarHBondContact O-N 2.85Å; D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 3.25Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.29Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.42Å; D92-Y94 PolarHBondContact OD1-N 3.37Å; D92-A95 HydrophobicContact CB-CB 4.03Å; D92-A95 PolarHBondContact O-N 3.03Å; D92-A95 WeakPolarHBondContact OD1-CB 3.16Å; D92-A95 PolarHBondContact OD1-N 3.32Å; D92-K96 VanDerWaalsContact O-CB 3.28Å; D92-K96 WeakPolarHBondContact O-CB 3.38Å; D92-K96 PolarHBondContact O-N 2.86Å
93	L	94.8	Very high	93.1	Very high	139 Å²	139	51.5 Å²	51.5	73%	0.728	26%	0.264	S	S	*	.	H	α-helix	trans	-67.2	-32.3	-175.3	-65.9	177.8	0	0	0	113	G91 N97	G91-L93 PolarHBondContact O-N 3.41Å; L93-N97 WeakPolarHBondContact O-CB 3.11Å; L93-N97 PolarHBondContact O-N 2.86Å
94	Y	94.4	Very high	93.4	Very high	132 Å²	132	51.8 Å²	51.8	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-46.8	179.4	174.1	-105.5	0	0	0	110.5	F84 D92 N97 I98	F84-Y94 HydrophobicContact CE1-CD1 4.4Å; F84-Y94 AromaticContact CE1-CE1 3.96Å; F84-Y94 HydrophobicContact CE1-CE1 3.96Å; D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 3.25Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.29Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.42Å; D92-Y94 PolarHBondContact OD1-N 3.37Å; Y94-N97 PolarHBondContact O-N 2.98Å; Y94-I98 HydrophobicContact CD1-CD1 3.97Å; Y94-I98 HydrophobicContact CE1-CD1 3.45Å; Y94-I98 VanDerWaalsContact CE1-CD1 3.45Å; Y94-I98 HydrophobicContact CE2-CD1 4.13Å; Y94-I98 PolarHBondContact O-N 2.79Å; Y94-I98 VanDerWaalsContact O-N 3.13Å
95	A	94.9	Very high	93.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-42.3	175.4	0	0	0	0	0	111.6	F84 Q87 D92 N97 I98 I99	F84-A95 HydrophobicContact CB-CB 4.22Å; F84-A95 HydrophobicContact CD1-CB 4.01Å; F84-A95 WeakPolarHBondContact O-CB 3.42Å; Q87-A95 HydrophobicContact CB-CB 3.6Å; D92-A95 HydrophobicContact CB-CB 4.03Å; D92-A95 PolarHBondContact O-N 3.03Å; D92-A95 WeakPolarHBondContact OD1-CB 3.16Å; D92-A95 PolarHBondContact OD1-N 3.32Å; A95-N97 PolarHBondContact O-N 3.25Å; A95-I98 PolarHBondContact O-N 2.79Å; A95-I99 WeakPolarHBondContact O-CG1 3.3Å; A95-I99 PolarHBondContact O-N 3.38Å
96	K	95.7	Very high	93.6	Very high	89 Å²	89	53.7 Å²	53.7	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-56.8	-48	174.9	-177.7	174.6	173.6	177.9	0	112.2	S88 D92 I98 I99 E100	S88-K96 WeakPolarHBondContact OG-CA 3.49Å; D92-K96 VanDerWaalsContact O-CB 3.28Å; D92-K96 WeakPolarHBondContact O-CB 3.38Å; D92-K96 PolarHBondContact O-N 2.86Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-I98 PolarHBondContact O-N 2.81Å; K96-I99 PolarHBondContact O-N 2.96Å; K96-E100 WeakPolarHBondContact CE-OE1 3.42Å; K96-E100 HydrophobicContact CG-CG 4.37Å; K96-E100 IonicContact NZ-OE1 2.86Å; K96-E100 WeakPolarHBondContact O-CG 3.33Å; K96-E100 PolarHBondContact O-N 3.18Å
97	N	96.2	Very high	93.9	Very high	54 Å²	54	60.1 Å²	60.1	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-41.5	177	178.2	61.6	0	0	0	112.7	L93 Y94 A95 K101	L93-N97 WeakPolarHBondContact O-CB 3.11Å; L93-N97 PolarHBondContact O-N 2.86Å; Y94-N97 PolarHBondContact O-N 2.98Å; A95-N97 PolarHBondContact O-N 3.25Å; N97-K101 WeakPolarHBondContact O-CB 3.48Å; N97-K101 VanDerWaalsContact O-CG 3.25Å; N97-K101 WeakPolarHBondContact O-CG 3.49Å; N97-K101 PolarHBondContact O-N 3Å; N97-K101 VanDerWaalsContact O-N 3.12Å; N97-K101 WeakPolarHBondContact OD1-CE 3.36Å
98	I	96.6	Very high	94.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-47.4	176	-73	168.4	0	0	0	111.2	W35 F65 L81 F84 Y94 A95 K96 K101 M102	W35-I98 HydrophobicContact CH2-CD1 4.47Å; W35-I98 HydrophobicContact CZ2-CD1 3.58Å; F65-I98 HydrophobicContact CB-CG1 4.34Å; F65-I98 HydrophobicContact CD1-CG2 4.33Å; F65-I98 HydrophobicContact CD2-CB 4.5Å; F65-I98 HydrophobicContact CD2-CG1 3.95Å; F65-I98 HydrophobicContact CD2-CG2 4.05Å; F65-I98 HydrophobicContact CE1-CG2 4.05Å; F65-I98 HydrophobicContact CE2-CG1 4.48Å; F65-I98 HydrophobicContact CE2-CG2 3.76Å; F65-I98 HydrophobicContact CG-CB 4.49Å; F65-I98 HydrophobicContact CG-CG1 4.06Å; F65-I98 HydrophobicContact CG-CG2 4.33Å; F65-I98 HydrophobicContact CZ-CG2 3.76Å; L81-I98 HydrophobicContact CD2-CG2 3.56Å; F84-I98 HydrophobicContact CD1-CD1 3.74Å; F84-I98 HydrophobicContact CE1-CD1 3.52Å; F84-I98 HydrophobicContact CZ-CD1 4.47Å; Y94-I98 HydrophobicContact CD1-CD1 3.97Å; Y94-I98 HydrophobicContact CE1-CD1 3.45Å; Y94-I98 VanDerWaalsContact CE1-CD1 3.45Å; Y94-I98 HydrophobicContact CE2-CD1 4.13Å; Y94-I98 PolarHBondContact O-N 2.79Å; Y94-I98 VanDerWaalsContact O-N 3.13Å; A95-I98 PolarHBondContact O-N 2.79Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-I98 PolarHBondContact O-N 2.81Å; I98-K101 PolarHBondContact O-N 3.41Å; I98-M102 WeakPolarHBondContact O-CB 3.19Å; I98-M102 PolarHBondContact O-N 3.46Å
99	I	96.6	Very high	94.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-46.2	-177.6	-64.5	-56.2	0	0	0	111.2	L81 F84 I85 A95 K96 K101 M102 E103 R122	L81-I99 HydrophobicContact CB-CD1 3.98Å; L81-I99 HydrophobicContact CD1-CD1 4.26Å; L81-I99 HydrophobicContact CD2-CD1 4.24Å; L81-I99 HydrophobicContact CG-CD1 4.4Å; F84-I99 HydrophobicContact CB-CD1 4.01Å; F84-I99 HydrophobicContact CB-CG1 4.3Å; I85-I99 HydrophobicContact CG1-CD1 3.54Å; I85-I99 HydrophobicContact CG1-CG1 4.18Å; A95-I99 WeakPolarHBondContact O-CG1 3.3Å; A95-I99 PolarHBondContact O-N 3.38Å; K96-I99 PolarHBondContact O-N 2.96Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.5Å; I99-M102 PolarHBondContact O-N 3.32Å; I99-E103 HydrophobicContact CG2-CG 4.37Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3Å; I99-R122 VanDerWaalsContact CG2-NH2 3.27Å
100	E	96.3	Very high	94.6	Very high	90 Å²	90	64.8 Å²	64.8	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-43.8	177.7	-73.2	176	169.4	0	0	111.7	K96 M102 E103 V104	K96-E100 WeakPolarHBondContact CE-OE1 3.42Å; K96-E100 HydrophobicContact CG-CG 4.37Å; K96-E100 IonicContact NZ-OE1 2.86Å; K96-E100 WeakPolarHBondContact O-CG 3.33Å; K96-E100 PolarHBondContact O-N 3.18Å; E100-M102 PolarHBondContact O-N 2.99Å; E100-E103 PolarHBondContact O-N 3.17Å; E100-V104 VanDerWaalsContact O-CG2 3.28Å; E100-V104 WeakPolarHBondContact O-CG2 3.27Å; E100-V104 PolarHBondContact O-N 3.14Å
101	K	96.2	Very high	95	Very high	49 Å²	49	64.7 Å²	64.7	21%	0.213	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-37.9	176.9	-73	176.3	174	-176.1	0	112.6	F65 D66 N97 I98 I99 V104 L105	F65-K101 HydrophobicContact CB-CD 4.05Å; F65-K101 HydrophobicContact CD1-CB 3.9Å; F65-K101 HydrophobicContact CD1-CD 4.44Å; F65-K101 WeakPolarHBondContact O-CD 3.42Å; F65-K101 WeakPolarHBondContact O-CE 3.39Å; F65-K101 PolarHBondContact O-NZ 3.18Å; D66-K101 IonicContact OD1-NZ 3.15Å; D66-K101 PolarHBondContact OD1-NZ 3.07Å; N97-K101 WeakPolarHBondContact O-CB 3.48Å; N97-K101 VanDerWaalsContact O-CG 3.25Å; N97-K101 WeakPolarHBondContact O-CG 3.49Å; N97-K101 PolarHBondContact O-N 3Å; N97-K101 VanDerWaalsContact O-N 3.12Å; N97-K101 WeakPolarHBondContact OD1-CE 3.36Å; I98-K101 PolarHBondContact O-N 3.41Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.5Å; K101-V104 PolarHBondContact O-N 3.23Å; K101-L105 WeakPolarHBondContact O-CB 3.37Å; K101-L105 PolarHBondContact O-N 2.9Å
102	M	96.7	Very high	95.3	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-41.9	175.8	-170.9	67.6	-170.9	0	0	111.7	F65 I77 L81 I98 I99 E100 L105 E106 I114 I118	F65-M102 HydrophobicContact CE1-CB 4.12Å; F65-M102 HydrophobicContact CE1-SD 4.37Å; F65-M102 HydrophobicContact CZ-SD 4.45Å; I77-M102 HydrophobicContact CB-CE 4.31Å; I77-M102 HydrophobicContact CD1-CE 4.2Å; I77-M102 HydrophobicContact CD1-SD 4.3Å; I77-M102 HydrophobicContact CG2-CE 3.86Å; I77-M102 HydrophobicContact CG2-SD 4.44Å; L81-M102 HydrophobicContact CD1-CB 4.22Å; L81-M102 HydrophobicContact CD1-CG 3.78Å; L81-M102 HydrophobicContact CD1-SD 4.34Å; I98-M102 WeakPolarHBondContact O-CB 3.19Å; I98-M102 PolarHBondContact O-N 3.46Å; I99-M102 PolarHBondContact O-N 3.32Å; E100-M102 PolarHBondContact O-N 2.99Å; M102-L105 PolarHBondContact O-N 3.37Å; M102-E106 WeakPolarHBondContact O-CB 3.49Å; M102-E106 PolarHBondContact O-N 2.91Å; M102-I114 HydrophobicContact CE-CB 4.44Å; M102-I114 HydrophobicContact CE-CD1 3.77Å; M102-I114 HydrophobicContact CE-CG1 4.29Å; M102-I114 HydrophobicContact CE-CG2 3.39Å; M102-I118 HydrophobicContact CB-CD1 4.42Å; M102-I118 HydrophobicContact CB-CG1 4.4Å; M102-I118 HydrophobicContact CE-CD1 4.41Å; M102-I118 HydrophobicContact CE-CG1 4.46Å; M102-I118 HydrophobicContact CG-CD1 3.56Å; M102-I118 HydrophobicContact CG-CG1 3.58Å
103	E	96	Very high	95.5	Very high	66 Å²	66	60.8 Å²	60.8	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-41	175.5	-72.3	171.6	171.2	0	0	111.6	I99 E100 K107 I118 R122	I99-E103 HydrophobicContact CG2-CG 4.37Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3Å; E100-E103 PolarHBondContact O-N 3.17Å; E103-K107 VanDerWaalsContact O-CB 3.3Å; E103-K107 WeakPolarHBondContact O-CB 3.33Å; E103-K107 PolarHBondContact O-N 3.17Å; E103-I118 HydrophobicContact CG-CB 4.47Å; E103-I118 HydrophobicContact CG-CG2 3.91Å; E103-R122 IonicContact OE1-CZ 2.78Å; E103-R122 IonicContact OE1-NE 3.56Å; E103-R122 IonicContact OE1-NH2 3.53Å; E103-R122 PolarHBondContact OE1-NH2 3.22Å
104	V	95.8	Very high	95.6	Very high	71 Å²	71	54.9 Å²	54.9	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-43.7	174	170.9	0	0	0	0	111.2	E100 K101 K107 N108	E100-V104 VanDerWaalsContact O-CG2 3.28Å; E100-V104 WeakPolarHBondContact O-CG2 3.27Å; E100-V104 PolarHBondContact O-N 3.14Å; K101-V104 PolarHBondContact O-N 3.23Å; V104-K107 PolarHBondContact O-N 2.91Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.23Å; V104-N108 VanDerWaalsContact O-CB 3.3Å; V104-N108 WeakPolarHBondContact O-CB 3.42Å; V104-N108 VanDerWaalsContact O-CG 3.32Å; V104-N108 PolarHBondContact O-N 3.23Å
105	L	95.4	Very high	95.7	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-49.3	176.6	-176.1	154.7	0	0	0	111.4	I68 I77 K101 M102 K107 N108 H109 V112 I114	I68-L105 HydrophobicContact CD1-CD1 3.88Å; I68-L105 HydrophobicContact CG1-CD1 3.52Å; I77-L105 HydrophobicContact CD1-CD1 3.79Å; I77-L105 HydrophobicContact CD1-CD2 3.49Å; I77-L105 VanDerWaalsContact CD1-CD2 3.49Å; I77-L105 HydrophobicContact CD1-CG 4.33Å; K101-L105 WeakPolarHBondContact O-CB 3.37Å; K101-L105 PolarHBondContact O-N 2.9Å; M102-L105 PolarHBondContact O-N 3.37Å; L105-K107 VanDerWaalsContact C-N 3.25Å; L105-K107 PolarHBondContact O-N 3.32Å; L105-N108 PolarHBondContact O-N 2.92Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-N 3.18Å; L105-V112 HydrophobicContact CD2-CB 4.49Å; L105-V112 HydrophobicContact CD2-CG1 4.35Å; L105-I114 HydrophobicContact CD2-CD1 3.87Å
106	E	95.1	Very high	95.8	Very high	52 Å²	52	49 Å²	49	24%	0.243	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-37.1	179.3	-177.6	167.1	-171.8	0	0	111.7	M102 I114 P117 I118	M102-E106 WeakPolarHBondContact O-CB 3.49Å; M102-E106 PolarHBondContact O-N 2.91Å; E106-I114 HydrophobicContact CB-CG1 4.22Å; E106-I114 HydrophobicContact CG-CG1 3.98Å; E106-P117 VanDerWaalsContact OE1-CA 3.29Å; E106-P117 WeakPolarHBondContact OE1-CA 3.49Å; E106-P117 VanDerWaalsContact OE1-CB 3.3Å; E106-P117 WeakPolarHBondContact OE1-CB 3.44Å; E106-I118 WeakPolarHBondContact OE2-CB 3.33Å; E106-I118 VanDerWaalsContact OE2-CG1 3.31Å; E106-I118 WeakPolarHBondContact OE2-CG1 3.35Å; E106-I118 PolarHBondContact OE2-N 3.38Å
107	K	95.7	Very high	95.8	Very high	171 Å²	171	46.5 Å²	46.5	74%	0.743	24%	0.237	S	C	*	.	H	α-helix	trans	-72.8	-43.9	176.8	-177.9	-179.2	176.9	-177.5	0	113.5	E103 V104 L105	E103-K107 VanDerWaalsContact O-CB 3.3Å; E103-K107 WeakPolarHBondContact O-CB 3.33Å; E103-K107 PolarHBondContact O-N 3.17Å; V104-K107 PolarHBondContact O-N 2.91Å; L105-K107 VanDerWaalsContact C-N 3.25Å; L105-K107 PolarHBondContact O-N 3.32Å
108	N	95.9	Very high	95.8	Very high	90 Å²	90	44 Å²	44	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-83.2	-22.4	-173.3	-70.9	-9.2	0	0	0	113	V104 L105 P110	V104-N108 WeakPolarHBondContact CG1-ND2 3.23Å; V104-N108 VanDerWaalsContact O-CB 3.3Å; V104-N108 WeakPolarHBondContact O-CB 3.42Å; V104-N108 VanDerWaalsContact O-CG 3.32Å; V104-N108 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 2.92Å; N108-P110 VanDerWaalsContact C-CD 3.46Å; N108-P110 WeakPolarHBondContact O-CD 3.4Å
109	H	94.7	Very high	95.7	Very high	38 Å²	38	49.3 Å²	49.3	18%	0.176	25%	0.252	C	S	.	.			trans	-125.3	67.3	-177.4	-63.7	-75.3	0	0	0	112	L72 L105 E111 V112	L72-H109 VanDerWaalsContact CD1-NE2 3.3Å; L72-H109 WeakPolarHBondContact CD1-NE2 3.42Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-N 3.18Å; H109-E111 VanDerWaalsContact CA-OE2 3.28Å; H109-E111 WeakPolarHBondContact CA-OE2 3.35Å; H109-E111 IonicContact CG-OE1 3.85Å; H109-E111 IonicContact ND1-OE1 2.71Å; H109-E111 PolarHBondContact ND1-OE1 3.41Å; H109-E111 PolarHBondContact O-N 3.26Å; H109-E111 VanDerWaalsContact O-N 3.09Å; H109-V112 HydrophobicContact CB-CB 4.33Å; H109-V112 HydrophobicContact CB-CG2 3.64Å; H109-V112 WeakPolarHBondContact O-CB 3.25Å; H109-V112 PolarHBondContact O-N 3.25Å
110	P	93.4	Very high	95.5	Very high	101 Å²	101	49.6 Å²	49.6	66%	0.656	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.4	179.3	28.2	-36.4	0	0	0	113.4	N108 V112	N108-P110 VanDerWaalsContact C-CD 3.46Å; N108-P110 WeakPolarHBondContact O-CD 3.4Å; P110-V112 VanDerWaalsContact C-N 3.26Å
111	E	92.8	Very high	95.4	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.2	171.7	75.2	-76.8	-178	0	0	113.9	H109 Q350	H109-E111 VanDerWaalsContact CA-OE2 3.28Å; H109-E111 WeakPolarHBondContact CA-OE2 3.35Å; H109-E111 IonicContact CG-OE1 3.85Å; H109-E111 IonicContact ND1-OE1 2.71Å; H109-E111 PolarHBondContact ND1-OE1 3.41Å; H109-E111 PolarHBondContact O-N 3.26Å; H109-E111 VanDerWaalsContact O-N 3.09Å; E111-Q350 PolarHBondContact O-NE2 3.2Å
112	V	95.6	Very high	95.3	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.042	24%	0.238	C	C	.	.	S	Bend	trans	-88.8	121.6	177.5	-178.4	0	0	0	0	109.3	L74 I77 L105 H109 P110 I114	L74-V112 HydrophobicContact CB-CG1 4.2Å; L74-V112 HydrophobicContact CB-CG2 4.34Å; L74-V112 WeakPolarHBondContact O-CG2 3.21Å; I77-V112 HydrophobicContact CD1-CG1 4.12Å; I77-V112 HydrophobicContact CG1-CG1 4Å; L105-V112 HydrophobicContact CD2-CB 4.49Å; L105-V112 HydrophobicContact CD2-CG1 4.35Å; H109-V112 HydrophobicContact CB-CB 4.33Å; H109-V112 HydrophobicContact CB-CG2 3.64Å; H109-V112 WeakPolarHBondContact O-CB 3.25Å; H109-V112 PolarHBondContact O-N 3.25Å; P110-V112 VanDerWaalsContact C-N 3.26Å; V112-I114 HydrophobicContact CB-CD1 4.29Å; V112-I114 HydrophobicContact CG1-CD1 3.74Å; V112-I114 PolarHBondContact O-N 2.98Å; V112-I114 VanDerWaalsContact O-N 3.12Å
113	L	96.2	Very high	95	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	107.1	174.8	-177	61.1	0	0	0	111.5	H75 A76 I77 L115 L343 S346 Q350	H75-L113 PolarHBondContact O-N 3.47Å; A76-L113 CarbonylContact C-O 3.52Å; A76-L113 WeakPolarHBondContact CA-O 3.14Å; A76-L113 HydrophobicContact CB-CB 3.75Å; A76-L113 HydrophobicContact CB-CD2 4.32Å; A76-L113 HydrophobicContact CB-CG 4.38Å; A76-L113 WeakPolarHBondContact CB-O 3.37Å; I77-L113 PolarHBondContact N-O 2.98Å; L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD1 4.24Å; L113-L115 HydrophobicContact CD2-CD2 4.11Å; L113-L115 HydrophobicContact CD2-CG 4.2Å; L113-L115 HydrophobicContact CG-CD2 3.92Å; L113-L115 HydrophobicContact CG-CG 4.03Å; L113-L343 HydrophobicContact CD2-CD1 4.29Å; L113-S346 VanDerWaalsContact CD2-CB 3.46Å; L113-Q350 VanDerWaalsContact CB-OE1 3.23Å
114	I	97.1	Very high	94.7	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.7	174.9	-50.4	-54.1	0	0	0	110.5	I77 M102 L105 E106 V112 D116	I77-I114 HydrophobicContact CB-CD1 3.99Å; I77-I114 HydrophobicContact CD1-CD1 3.84Å; I77-I114 HydrophobicContact CG1-CD1 4.2Å; M102-I114 HydrophobicContact CE-CB 4.44Å; M102-I114 HydrophobicContact CE-CD1 3.77Å; M102-I114 HydrophobicContact CE-CG1 4.29Å; M102-I114 HydrophobicContact CE-CG2 3.39Å; L105-I114 HydrophobicContact CD2-CD1 3.87Å; E106-I114 HydrophobicContact CB-CG1 4.22Å; E106-I114 HydrophobicContact CG-CG1 3.98Å; V112-I114 HydrophobicContact CB-CD1 4.29Å; V112-I114 HydrophobicContact CG1-CD1 3.74Å; V112-I114 PolarHBondContact O-N 2.98Å; V112-I114 VanDerWaalsContact O-N 3.12Å; I114-D116 CarbonylContact O-C 3.49Å; I114-D116 WeakPolarHBondContact O-CA 3.41Å
115	L	97.4	Very high	94.4	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	92.9	176.8	-62.6	-176.8	0	0	0	109.8	I77 V78 H79 L113 L304 F342 L343	I77-L115 PolarHBondContact O-N 3.31Å; V78-L115 HydrophobicContact CG2-CD1 4.27Å; H79-L115 PolarHBondContact CD2-O 3.22Å; H79-L115 PolarHBondContact N-O 3.07Å; H79-L115 VanDerWaalsContact N-O 3.08Å; L113-L115 HydrophobicContact CD1-CD2 4.06Å; L113-L115 HydrophobicContact CD2-CD1 4.24Å; L113-L115 HydrophobicContact CD2-CD2 4.11Å; L113-L115 HydrophobicContact CD2-CG 4.2Å; L113-L115 HydrophobicContact CG-CD2 3.92Å; L113-L115 HydrophobicContact CG-CG 4.03Å; L115-L304 HydrophobicContact CB-CD1 4.42Å; L115-F342 HydrophobicContact CD1-CD1 4.37Å; L115-F342 HydrophobicContact CD1-CE1 3.8Å; L115-F342 HydrophobicContact CD2-CE1 3.92Å; L115-F342 HydrophobicContact CD2-CZ 4.11Å; L115-F342 HydrophobicContact CG-CE1 4.49Å; L115-L343 HydrophobicContact CD1-CD1 3.92Å
116	D	97.1	Very high	94	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.032	24%	0.244	C	C	.	.	S	Bend	cis	-116	165.1	0.6	-72.3	-43.9	0	0	0	112	H79 I114 I118 V121 L302 S303 L304	H79-D116 PolarHBondContact CE1-O 3.29Å; H79-D116 PolarHBondContact NE2-N 3.08Å; H79-D116 PolarHBondContact NE2-O 3.37Å; I114-D116 CarbonylContact O-C 3.49Å; I114-D116 WeakPolarHBondContact O-CA 3.41Å; D116-I118 PolarHBondContact O-N 2.92Å; D116-V121 HydrophobicContact CB-CG2 4.35Å; D116-L302 HydrophobicContact CB-CD2 3.5Å; D116-S303 WeakPolarHBondContact OD1-CB 3.09Å; D116-S303 PolarHBondContact OD1-N 3.05Å; D116-S303 PolarHBondContact OD2-N 3.46Å; D116-L304 PolarHBondContact OD2-N 3.32Å
117	P	96.2	Very high	93.6	Very high	36 Å²	36	46.7 Å²	46.7	23%	0.234	24%	0.24	C	C	.	.			trans	-50.1	135.5	-177.3	-31.5	37.9	0	0	0	114.2	E106 D119 A120 V121	E106-P117 VanDerWaalsContact OE1-CA 3.29Å; E106-P117 WeakPolarHBondContact OE1-CA 3.49Å; E106-P117 VanDerWaalsContact OE1-CB 3.3Å; E106-P117 WeakPolarHBondContact OE1-CB 3.44Å; P117-D119 PolarHBondContact O-N 3.31Å; P117-A120 HydrophobicContact CB-CB 4.29Å; P117-A120 WeakPolarHBondContact O-CB 3.44Å; P117-A120 PolarHBondContact O-N 2.94Å; P117-A120 VanDerWaalsContact O-N 3.14Å; P117-V121 WeakPolarHBondContact O-CG2 3.43Å; P117-V121 PolarHBondContact O-N 2.76Å; P117-V121 VanDerWaalsContact O-N 3.08Å
118	I	95.3	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-40.8	-170.1	-66.6	-67.1	0	0	0	112.3	H79 L81 I85 M102 E103 E106 D116 A120 V121 R122	H79-I118 VanDerWaalsContact CE1-CD1 3.43Å; H79-I118 WeakPolarHBondContact CE1-CD1 3.44Å; L81-I118 HydrophobicContact CB-CD1 4.42Å; L81-I118 HydrophobicContact CD1-CD1 3.65Å; I85-I118 HydrophobicContact CD1-CG2 4.44Å; M102-I118 HydrophobicContact CB-CD1 4.42Å; M102-I118 HydrophobicContact CB-CG1 4.4Å; M102-I118 HydrophobicContact CE-CD1 4.41Å; M102-I118 HydrophobicContact CE-CG1 4.46Å; M102-I118 HydrophobicContact CG-CD1 3.56Å; M102-I118 HydrophobicContact CG-CG1 3.58Å; E103-I118 HydrophobicContact CG-CB 4.47Å; E103-I118 HydrophobicContact CG-CG2 3.91Å; E106-I118 WeakPolarHBondContact OE2-CB 3.33Å; E106-I118 VanDerWaalsContact OE2-CG1 3.31Å; E106-I118 WeakPolarHBondContact OE2-CG1 3.35Å; E106-I118 PolarHBondContact OE2-N 3.38Å; D116-I118 PolarHBondContact O-N 2.92Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 2.67Å; I118-V121 PolarHBondContact O-N 2.71Å; I118-V121 VanDerWaalsContact O-N 3.17Å; I118-R122 WeakPolarHBondContact O-CB 3.47Å; I118-R122 PolarHBondContact O-N 3.46Å
119	D	93.7	Very high	93.1	Very high	113 Å²	113	41 Å²	41	60%	0.604	22%	0.215	S	C	*	.	H	α-helix	trans	-60	-40.3	177.4	-75.2	-20.7	0	0	0	112.1	P117 R122 I123	P117-D119 PolarHBondContact O-N 3.31Å; D119-R122 WeakPolarHBondContact O-CB 3.48Å; D119-R122 PolarHBondContact O-N 3.28Å; D119-I123 WeakPolarHBondContact O-CG1 3.38Å; D119-I123 PolarHBondContact O-N 2.82Å; D119-I123 VanDerWaalsContact O-N 3.07Å
120	A	93.4	Very high	93	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-68.7	-38.4	178.1	0	0	0	0	0	111.8	P117 I118 R122 L124 T300 L302	P117-A120 HydrophobicContact CB-CB 4.29Å; P117-A120 WeakPolarHBondContact O-CB 3.44Å; P117-A120 PolarHBondContact O-N 2.94Å; P117-A120 VanDerWaalsContact O-N 3.14Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 2.67Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-L124 PolarHBondContact O-N 3.49Å; A120-T300 WeakPolarHBondContact CB-O 3.44Å; A120-L302 HydrophobicContact CB-CD1 4.43Å; A120-L302 HydrophobicContact CB-CD2 3.72Å; A120-L302 HydrophobicContact CB-CG 3.81Å
121	V	94.4	Very high	93	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-40.9	173.1	-178.1	0	0	0	0	110.7	I85 D116 P117 I118 I123 L124 C125 L302 T325	I85-V121 HydrophobicContact CD1-CB 3.96Å; I85-V121 HydrophobicContact CD1-CG1 3.62Å; D116-V121 HydrophobicContact CB-CG2 4.35Å; P117-V121 WeakPolarHBondContact O-CG2 3.43Å; P117-V121 PolarHBondContact O-N 2.76Å; P117-V121 VanDerWaalsContact O-N 3.08Å; I118-V121 PolarHBondContact O-N 2.71Å; I118-V121 VanDerWaalsContact O-N 3.17Å; V121-I123 PolarHBondContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 2.9Å; V121-L124 VanDerWaalsContact O-N 3.16Å; V121-C125 PolarHBondContact O-N 2.83Å; V121-C125 VanDerWaalsContact O-N 3.15Å; V121-C125 PolarHBondContact O-SG 2.69Å; V121-L302 HydrophobicContact CG2-CD2 4.2Å; V121-T325 HydrophobicContact CB-CG2 4.28Å; V121-T325 HydrophobicContact CG1-CG2 4.08Å; V121-T325 HydrophobicContact CG2-CG2 4.09Å
122	R	92.9	Very high	93	Very high	69 Å²	69	32.5 Å²	32.5	26%	0.26	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-41.9	179.1	-173.6	-179.5	-67.5	-79.7	7.9	112.3	I85 D89 I99 E103 I118 D119 A120 L124 C125	I85-R122 HydrophobicContact CD1-CB 4.29Å; I85-R122 HydrophobicContact CG2-CB 4.38Å; I85-R122 HydrophobicContact CG2-CG 4.1Å; D89-R122 IonicContact OD1-NH1 2.76Å; D89-R122 PolarHBondContact OD1-NH1 3.13Å; D89-R122 VanDerWaalsContact OD1-NH1 3.14Å; D89-R122 IonicContact OD2-NH1 2.67Å; I99-R122 VanDerWaalsContact CG2-NH2 3.27Å; E103-R122 IonicContact OE1-CZ 2.78Å; E103-R122 IonicContact OE1-NE 3.56Å; E103-R122 IonicContact OE1-NH2 3.53Å; E103-R122 PolarHBondContact OE1-NH2 3.22Å; I118-R122 WeakPolarHBondContact O-CB 3.47Å; I118-R122 PolarHBondContact O-N 3.46Å; D119-R122 WeakPolarHBondContact O-CB 3.48Å; D119-R122 PolarHBondContact O-N 3.28Å; A120-R122 VanDerWaalsContact C-N 3.33Å; R122-L124 VanDerWaalsContact C-N 3.26Å; R122-L124 PolarHBondContact O-N 2.78Å; R122-C125 PolarHBondContact O-N 2.75Å; R122-C125 VanDerWaalsContact O-N 3.14Å
123	I	90.8	Very high	92.9	Very high	69 Å²	69	34 Å²	34	35%	0.354	18%	0.178	S	C	.	.	H	α-helix	trans	-56.2	-43.2	174.9	-68.2	166.4	0	0	0	110.8	D119 V121 C125 N126 L133	D119-I123 WeakPolarHBondContact O-CG1 3.38Å; D119-I123 PolarHBondContact O-N 2.82Å; D119-I123 VanDerWaalsContact O-N 3.07Å; V121-I123 PolarHBondContact O-N 3.13Å; I123-C125 VanDerWaalsContact C-N 3.34Å; I123-C125 PolarHBondContact O-N 2.71Å; I123-N126 PolarHBondContact O-N 3.37Å; I123-L133 HydrophobicContact CG2-CB 4.46Å; I123-L133 HydrophobicContact CG2-CD2 4Å
124	L	90.5	Very high	92.7	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-76.8	-15.6	-178.9	-62.7	-166.7	0	0	0	114.4	A120 V121 R122 N126 Q130 F296 L302 V323 T325	A120-L124 PolarHBondContact O-N 3.49Å; V121-L124 PolarHBondContact O-N 2.9Å; V121-L124 VanDerWaalsContact O-N 3.16Å; R122-L124 VanDerWaalsContact C-N 3.26Å; R122-L124 PolarHBondContact O-N 2.78Å; L124-N126 PolarHBondContact O-N 3.4Å; L124-Q130 HydrophobicContact CD2-CB 4.23Å; L124-Q130 HydrophobicContact CD2-CG 3.86Å; L124-F296 HydrophobicContact CD1-CZ 4.18Å; L124-F296 HydrophobicContact CD2-CZ 4.38Å; L124-L302 HydrophobicContact CD1-CD1 3.31Å; L124-L302 HydrophobicContact CG-CD1 3.94Å; L124-V323 HydrophobicContact CD1-CB 4.42Å; L124-V323 HydrophobicContact CD1-CG1 3.76Å; L124-V323 HydrophobicContact CD2-CB 4.27Å; L124-V323 HydrophobicContact CD2-CG1 4.25Å; L124-T325 HydrophobicContact CB-CG2 4.06Å; L124-T325 HydrophobicContact CD1-CG2 3.48Å; L124-T325 VanDerWaalsContact CD1-CG2 3.48Å; L124-T325 HydrophobicContact CG-CG2 4.22Å
125	C	88.8	Confident	92.5	Very high	41 Å²	41	37.7 Å²	37.7	28%	0.277	19%	0.192	S	C	.	.	H	α-helix	trans	-73.3	-15.4	172.3	-70.8	0	0	0	0	112.8	S82 I85 V86 V121 R122 I123	S82-C125 PolarHBondContact O-SG 3.18Å; I85-C125 HydrophobicContact CG2-CB 4.2Å; V86-C125 HydrophobicContact CG2-CB 3.98Å; V121-C125 PolarHBondContact O-N 2.83Å; V121-C125 VanDerWaalsContact O-N 3.15Å; V121-C125 PolarHBondContact O-SG 2.69Å; R122-C125 PolarHBondContact O-N 2.75Å; R122-C125 VanDerWaalsContact O-N 3.14Å; I123-C125 VanDerWaalsContact C-N 3.34Å; I123-C125 PolarHBondContact O-N 2.71Å
126	N	86.6	Confident	92.3	Very high	34 Å²	34	42.7 Å²	42.7	18%	0.182	22%	0.223	C	C	.	.	S	Bend	trans	-111.9	114.3	178.5	-175.4	-64.5	0	0	0	110.7	I123 L124 Y128 S129 Q130 F177	I123-N126 PolarHBondContact O-N 3.37Å; L124-N126 PolarHBondContact O-N 3.4Å; N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.17Å; N126-Y128 WeakPolarHBondContact OD1-CB 3.12Å; N126-Y128 PolarHBondContact OD1-N 3.12Å; N126-S129 PolarHBondContact O-N 3.21Å; N126-S129 PolarHBondContact OD1-N 3.48Å; N126-S129 PolarHBondContact OD1-OG 2.91Å; N126-Q130 WeakPolarHBondContact O-CB 3.41Å; N126-Q130 PolarHBondContact O-N 3.48Å; N126-F177 VanDerWaalsContact ND2-CE2 3.34Å; N126-F177 WeakPolarHBondContact ND2-CE2 3.15Å; N126-F177 WeakPolarHBondContact ND2-CZ 3.37Å; N126-F177 WeakPolarHBondContact OD1-CE2 3.16Å
127	R	88	Confident	92	Very high	40 Å²	40	44.5 Å²	44.5	15%	0.151	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-40.3	-177.7	-78.7	-172.5	173.6	133.5	6.3	113.7	Q130 Y131 L176 A192 V212	R127-Q130 PolarHBondContact O-N 2.81Å; R127-Y131 WeakPolarHBondContact O-CB 3.24Å; R127-Y131 VanDerWaalsContact O-CG 3.26Å; R127-Y131 PolarHBondContact O-N 2.98Å; R127-L176 PolarHBondContact NH1-O 3.2Å; R127-A192 PolarHBondContact NH1-O 2.72Å; R127-A192 PolarHBondContact NH2-O 3.24Å; R127-V212 HydrophobicContact CB-CG2 4.25Å
128	Y	90.1	Very high	91.8	Very high	95 Å²	95	43 Å²	43	37%	0.373	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-43.4	179.6	-177.1	-103.4	0	0	0	111	N126 Y131 S132 F148 L150 V212	N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.17Å; N126-Y128 WeakPolarHBondContact OD1-CB 3.12Å; N126-Y128 PolarHBondContact OD1-N 3.12Å; Y128-Y131 PolarHBondContact O-N 3.11Å; Y128-S132 VanDerWaalsContact O-CB 3.25Å; Y128-S132 WeakPolarHBondContact O-CB 3.34Å; Y128-S132 PolarHBondContact O-N 3.35Å; Y128-S132 PolarHBondContact O-OG 3.07Å; Y128-F148 HydrophobicContact CD2-CD2 4.26Å; Y128-F148 AromaticContact CD2-CE2 3.86Å; Y128-F148 HydrophobicContact CD2-CE2 3.86Å; Y128-F148 HydrophobicContact CE2-CD2 4.41Å; Y128-F148 AromaticContact CE2-CE2 3.85Å; Y128-F148 HydrophobicContact CE2-CE2 3.85Å; Y128-L150 HydrophobicContact CD2-CB 3.66Å; Y128-L150 HydrophobicContact CE2-CB 3.76Å; Y128-L150 HydrophobicContact CG-CB 4.31Å; Y128-L150 HydrophobicContact CG-CD2 4.47Å; Y128-V212 HydrophobicContact CD2-CG2 4.49Å
129	S	91	Very high	91.4	Very high	47 Å²	47	46.3 Å²	46.3	33%	0.329	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-43.4	174.9	-56	0	0	0	0	112	N126 S132 L133	N126-S129 PolarHBondContact O-N 3.21Å; N126-S129 PolarHBondContact OD1-N 3.48Å; N126-S129 PolarHBondContact OD1-OG 2.91Å; S129-S132 PolarHBondContact O-N 3.39Å; S129-L133 WeakPolarHBondContact O-CB 3.4Å; S129-L133 PolarHBondContact O-N 3.28Å
130	Q	92.5	Very high	90.6	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-50.8	175	177.1	-165.1	67.9	0	0	111.4	L124 N126 R127 S132 L133 M134 D322 V323	L124-Q130 HydrophobicContact CD2-CB 4.23Å; L124-Q130 HydrophobicContact CD2-CG 3.86Å; N126-Q130 WeakPolarHBondContact O-CB 3.41Å; N126-Q130 PolarHBondContact O-N 3.48Å; R127-Q130 PolarHBondContact O-N 2.81Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; Q130-L133 WeakPolarHBondContact O-CB 3.45Å; Q130-L133 PolarHBondContact O-N 3.17Å; Q130-M134 WeakPolarHBondContact O-CG 3.33Å; Q130-M134 PolarHBondContact O-N 2.86Å; Q130-D322 PolarHBondContact NE2-OD1 3.18Å; Q130-V323 HydrophobicContact CG-CB 4.28Å; Q130-V323 HydrophobicContact CG-CG2 4.48Å; Q130-V323 PolarHBondContact NE2-O 3.35Å
131	Y	92.5	Very high	90	Very high	6 Å²	6	49 Å²	49	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-33.6	179.9	-65	-14.1	0	0	0	112.5	R127 Y128 M134 K135 F148 L175 V212 Q214 I321	R127-Y131 WeakPolarHBondContact O-CB 3.24Å; R127-Y131 VanDerWaalsContact O-CG 3.26Å; R127-Y131 PolarHBondContact O-N 2.98Å; Y128-Y131 PolarHBondContact O-N 3.11Å; Y131-M134 PolarHBondContact O-N 3.47Å; Y131-K135 WeakPolarHBondContact O-CB 3.38Å; Y131-K135 PolarHBondContact O-N 3.48Å; Y131-F148 VanDerWaalsContact CB-CE2 3.49Å; Y131-F148 VanDerWaalsContact CB-CZ 3.42Å; Y131-F148 HydrophobicContact CD2-CB 4.09Å; Y131-F148 HydrophobicContact CD2-CD1 4.38Å; Y131-F148 AromaticContact CD2-CD2 3.92Å; Y131-F148 HydrophobicContact CD2-CD2 3.92Å; Y131-F148 AromaticContact CD2-CG 3.86Å; Y131-F148 HydrophobicContact CD2-CG 3.86Å; Y131-F148 HydrophobicContact CG-CD1 4.43Å; Y131-F148 HydrophobicContact CG-CD2 4.35Å; Y131-F148 HydrophobicContact CG-CG 4.3Å; Y131-F148 WeakPolarHBondContact O-CE1 3.39Å; Y131-F148 WeakPolarHBondContact O-CZ 3.35Å; Y131-L175 HydrophobicContact CE2-CD1 3.63Å; Y131-L175 WeakPolarHBondContact OH-CD1 3.5Å; Y131-V212 HydrophobicContact CD2-CG1 3.71Å; Y131-V212 HydrophobicContact CE2-CG1 3.84Å; Y131-Q214 HydrophobicContact CE2-CB 4.45Å; Y131-I321 VanDerWaalsContact CE1-O 3.23Å; Y131-I321 WeakPolarHBondContact CE1-O 3.4Å; Y131-I321 PolarHBondContact OH-O 2.7Å
132	S	93	Very high	89.7	Confident	38 Å²	38	50.2 Å²	50.2	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-43.8	173.3	-60.4	0	0	0	0	111.3	Y128 S129 Q130 K135 T136	Y128-S132 VanDerWaalsContact O-CB 3.25Å; Y128-S132 WeakPolarHBondContact O-CB 3.34Å; Y128-S132 PolarHBondContact O-N 3.35Å; Y128-S132 PolarHBondContact O-OG 3.07Å; S129-S132 PolarHBondContact O-N 3.39Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; S132-K135 WeakPolarHBondContact O-CB 3.36Å; S132-K135 PolarHBondContact O-N 3.35Å; S132-T136 PolarHBondContact O-N 3.14Å; S132-T136 PolarHBondContact O-OG1 3.29Å
133	L	92.5	Very high	89.7	Confident	38 Å²	38	46.9 Å²	46.9	20%	0.199	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-44.8	171.6	174.1	67.3	0	0	0	111.3	I123 S129 Q130 K135 T136 L137 F296 T300	I123-L133 HydrophobicContact CG2-CB 4.46Å; I123-L133 HydrophobicContact CG2-CD2 4Å; S129-L133 WeakPolarHBondContact O-CB 3.4Å; S129-L133 PolarHBondContact O-N 3.28Å; Q130-L133 WeakPolarHBondContact O-CB 3.45Å; Q130-L133 PolarHBondContact O-N 3.17Å; L133-K135 VanDerWaalsContact C-N 3.33Å; L133-K135 PolarHBondContact O-N 3.08Å; L133-T136 PolarHBondContact O-N 2.94Å; L133-L137 HydrophobicContact CD1-CD1 3.96Å; L133-L137 HydrophobicContact CD1-CG 4.29Å; L133-L137 HydrophobicContact CG-CD1 3.95Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 3.03Å; L133-F296 HydrophobicContact CD2-CE2 4.09Å; L133-T300 HydrophobicContact CD1-CG2 4.42Å; L133-T300 HydrophobicContact CD2-CG2 3.57Å
134	M	93.1	Very high	89.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-40.5	177.7	-70.8	-53.3	96.6	0	0	111.5	Q130 Y131 T136 L137 C138 T145 F292 F296 V320 V323	Q130-M134 WeakPolarHBondContact O-CG 3.33Å; Q130-M134 PolarHBondContact O-N 2.86Å; Y131-M134 PolarHBondContact O-N 3.47Å; M134-T136 VanDerWaalsContact C-N 3.27Å; M134-T136 PolarHBondContact O-N 3.49Å; M134-L137 HydrophobicContact CE-CD1 3.82Å; M134-L137 PolarHBondContact O-N 3.22Å; M134-C138 WeakPolarHBondContact O-CB 3.44Å; M134-C138 PolarHBondContact O-N 2.71Å; M134-C138 PolarHBondContact O-SG 3.33Å; M134-T145 HydrophobicContact CB-CG2 4.25Å; M134-F292 HydrophobicContact SD-CZ 4.36Å; M134-F296 HydrophobicContact CE-CD2 3.56Å; M134-F296 HydrophobicContact CE-CE2 3.32Å; M134-V320 HydrophobicContact CG-CG1 4.28Å; M134-V320 HydrophobicContact SD-CG1 4.05Å; M134-V323 HydrophobicContact CE-CG2 4.3Å; M134-V323 HydrophobicContact CG-CG2 4.34Å; M134-V323 HydrophobicContact SD-CG2 3.85Å
135	K	93.1	Very high	90	Very high	124 Å²	124	50 Å²	50	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-41.8	177.6	-171.3	174.4	-179.5	173	0	111.5	Y131 S132 L133 A139 T145 F148	Y131-K135 WeakPolarHBondContact O-CB 3.38Å; Y131-K135 PolarHBondContact O-N 3.48Å; S132-K135 WeakPolarHBondContact O-CB 3.36Å; S132-K135 PolarHBondContact O-N 3.35Å; L133-K135 VanDerWaalsContact C-N 3.33Å; L133-K135 PolarHBondContact O-N 3.08Å; K135-A139 PolarHBondContact O-N 3.38Å; K135-T145 HydrophobicContact CB-CG2 4.08Å; K135-F148 HydrophobicContact CB-CE1 4.14Å; K135-F148 HydrophobicContact CB-CZ 4.47Å; K135-F148 HydrophobicContact CD-CE1 4.17Å; K135-F148 HydrophobicContact CD-CZ 4.4Å
136	T	92.6	Very high	90.3	Very high	110 Å²	110	48.1 Å²	48.1	68%	0.675	25%	0.251	S	S	*	.	H	α-helix	trans	-67.9	-47.2	175.7	-58.6	0	0	0	0	112	S132 L133 M134 C138 A139	S132-T136 PolarHBondContact O-N 3.14Å; S132-T136 PolarHBondContact O-OG1 3.29Å; L133-T136 PolarHBondContact O-N 2.94Å; M134-T136 VanDerWaalsContact C-N 3.27Å; M134-T136 PolarHBondContact O-N 3.49Å; T136-C138 VanDerWaalsContact C-N 3.32Å; T136-C138 PolarHBondContact O-N 3.43Å; T136-A139 PolarHBondContact O-N 3.33Å
137	L	91.4	Very high	90.7	Very high	43 Å²	43	49 Å²	49	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-30.2	-177.9	-69.3	173	0	0	0	113.6	L133 M134 F296 S299	L133-L137 HydrophobicContact CD1-CD1 3.96Å; L133-L137 HydrophobicContact CD1-CG 4.29Å; L133-L137 HydrophobicContact CG-CD1 3.95Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 3.03Å; M134-L137 HydrophobicContact CE-CD1 3.82Å; M134-L137 PolarHBondContact O-N 3.22Å; L137-F296 HydrophobicContact CD1-CD2 3.68Å; L137-F296 HydrophobicContact CD1-CE2 4.38Å; L137-S299 WeakPolarHBondContact CD2-OG 3.36Å
138	C	91.4	Very high	90.9	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.041	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.4	-177.4	-67	0	0	0	0	114	M134 T136 E140 G141 I143 F292	M134-C138 WeakPolarHBondContact O-CB 3.44Å; M134-C138 PolarHBondContact O-N 2.71Å; M134-C138 PolarHBondContact O-SG 3.33Å; T136-C138 VanDerWaalsContact C-N 3.32Å; T136-C138 PolarHBondContact O-N 3.43Å; C138-E140 VanDerWaalsContact C-N 3.29Å; C138-E140 PolarHBondContact O-N 3.46Å; C138-G141 PolarHBondContact O-N 2.74Å; C138-I143 WeakPolarHBondContact CB-O 3.49Å; C138-I143 PolarHBondContact SG-O 3.06Å; C138-F292 WeakPolarHBondContact SG-CZ 3.45Å
139	A	86.8	Confident	91	Very high	68 Å²	68	44.1 Å²	44.1	56%	0.562	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-41.6	-169.7	0	0	0	0	0	113.5	K135 T136	K135-A139 PolarHBondContact O-N 3.38Å; T136-A139 PolarHBondContact O-N 3.33Å
140	E	77.3	Confident	91	Very high	167 Å²	167	43.5 Å²	43.5	78%	0.78	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	15.3	-176.3	-60.1	-60.9	148.2	0	0	112.5	C138	C138-E140 VanDerWaalsContact C-N 3.29Å; C138-E140 PolarHBondContact O-N 3.46Å
141	G	81.4	Confident	90.9	Very high	10 Å²	10	43.4 Å²	43.4	10%	0.103	23%	0.234	C	C	.	.	S	Bend	trans	-105.8	159.1	-170.4	0	0	0	0	0	114.5	C138 I143	C138-G141 PolarHBondContact O-N 2.74Å; G141-I143 PolarHBondContact O-N 2.82Å
142	P	87.2	Confident	90.7	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	27%	0.265	C	S	.	.	S	Bend	trans	-71	-17.2	170.7	30.9	-35.8	0	0	0	112.8	M288 Q317 L378 L382	P142-M288 HydrophobicContact CB-CG 4.13Å; P142-M288 HydrophobicContact CG-CG 3.48Å; P142-M288 VanDerWaalsContact CG-CG 3.48Å; P142-M288 HydrophobicContact CG-SD 3.96Å; P142-Q317 PolarHBondContact O-NE2 3.02Å; P142-L378 HydrophobicContact CG-CD1 4.28Å; P142-L382 HydrophobicContact CB-CD2 4.33Å
143	I	93.4	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.1	168.7	-58	-163.3	0	0	0	108.3	C138 G141 M288 F292 V318 V320	C138-I143 WeakPolarHBondContact CB-O 3.49Å; C138-I143 PolarHBondContact SG-O 3.06Å; G141-I143 PolarHBondContact O-N 2.82Å; I143-M288 HydrophobicContact CD1-CE 3.94Å; I143-M288 HydrophobicContact CD1-SD 3.37Å; I143-M288 WeakPolarHBondContact CD1-SD 3.38Å; I143-M288 HydrophobicContact CG1-CE 3.75Å; I143-M288 HydrophobicContact CG1-SD 3.13Å; I143-M288 WeakPolarHBondContact CG1-SD 3.35Å; I143-F292 HydrophobicContact CB-CD2 4.14Å; I143-F292 HydrophobicContact CB-CE2 4.25Å; I143-F292 HydrophobicContact CB-CG 4.33Å; I143-F292 HydrophobicContact CD1-CB 3.71Å; I143-F292 HydrophobicContact CD1-CD1 3.74Å; I143-F292 HydrophobicContact CD1-CD2 4.33Å; I143-F292 HydrophobicContact CD1-CE1 4.44Å; I143-F292 HydrophobicContact CD1-CG 3.66Å; I143-F292 HydrophobicContact CG1-CB 4.4Å; I143-F292 HydrophobicContact CG1-CD2 4.44Å; I143-F292 HydrophobicContact CG1-CG 4.24Å; I143-F292 HydrophobicContact CG2-CD1 4.47Å; I143-F292 HydrophobicContact CG2-CE1 4.24Å; I143-F292 HydrophobicContact CG2-CE2 4.43Å; I143-F292 HydrophobicContact CG2-CZ 4.23Å; I143-V318 HydrophobicContact CD1-CG1 4.37Å; I143-V318 HydrophobicContact CG1-CB 4.45Å; I143-V318 HydrophobicContact CG1-CG1 4.28Å; I143-V318 HydrophobicContact CG2-CG1 4.46Å; I143-V320 HydrophobicContact CG2-CB 4.45Å; I143-V320 HydrophobicContact CG2-CG2 3.38Å
144	R	94.1	Very high	90.1	Very high	131 Å²	131	52.1 Å²	52.1	49%	0.494	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	169.8	178.2	-68.4	-173.6	-178.4	179.7	0.6	111.8	Q317 V318 Y319 V320	R144-Q317 HydrophobicContact CB-CG 4.48Å; R144-Q317 HydrophobicContact CG-CG 4.45Å; R144-V318 PolarHBondContact N-O 2.84Å; R144-Y319 HydrophobicContact CB-CD1 3.69Å; R144-Y319 HydrophobicContact CB-CE1 3.64Å; R144-Y319 CarbonylContact O-C 3.58Å; R144-Y319 VanDerWaalsContact O-CA 3.23Å; R144-Y319 WeakPolarHBondContact O-CA 3.46Å; R144-V320 PolarHBondContact O-N 3.28Å
145	T	94.1	Very high	90	Very high	19 Å²	19	55.2 Å²	55.2	12%	0.117	30%	0.297	C	S	.	.			trans	-112.5	138.7	161.6	-170	0	0	0	0	107.7	M134 K135 F148 V320	M134-T145 HydrophobicContact CB-CG2 4.25Å; K135-T145 HydrophobicContact CB-CG2 4.08Å; T145-F148 HydrophobicContact CG2-CE1 4.29Å; T145-V320 PolarHBondContact OG1-O 3.08Å
146	P	94.4	Very high	89.9	Confident	1 Å²	1	52 Å²	52	1%	0.006	29%	0.288	C	S	.	.			trans	-62.4	151.5	178.8	-18.8	30.6	0	0	0	110.8	F148 Q214 Q215 I217 Y319 V320 I321	P146-F148 PolarHBondContact O-N 3.1Å; P146-Q214 HydrophobicContact CB-CG 3.77Å; P146-Q214 HydrophobicContact CG-CG 4.17Å; P146-Q215 HydrophobicContact CB-CB 4.19Å; P146-I217 HydrophobicContact CB-CD1 4.39Å; P146-I217 HydrophobicContact CB-CG1 4.07Å; P146-I217 HydrophobicContact CG-CG1 4.02Å; P146-Y319 HydrophobicContact CB-CD1 4.36Å; P146-Y319 HydrophobicContact CG-CD1 3.83Å; P146-Y319 HydrophobicContact CG-CG 4.08Å; P146-V320 WeakPolarHBondContact CD-O 2.82Å; P146-I321 HydrophobicContact CG-CG2 3.95Å
147	P	94.4	Very high	89.9	Confident	52 Å²	52	54.8 Å²	54.8	34%	0.338	29%	0.291	S	S	.	.			trans	-50.3	135.5	172.1	-27.6	35.5	0	0	0	111.7	I168 Q214 Q215	P147-I168 HydrophobicContact CB-CG1 3.85Å; P147-Q214 WeakPolarHBondContact O-CA 3.4Å; P147-Q215 HydrophobicContact CB-CB 4.33Å; P147-Q215 HydrophobicContact CG-CB 4.44Å; P147-Q215 PolarHBondContact O-N 3.2Å
148	F	93.5	Very high	89.8	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.5	-177.9	71.9	-84.5	0	0	0	110.9	Y128 Y131 K135 T145 P146 V212 I213 Q214	Y128-F148 HydrophobicContact CD2-CD2 4.26Å; Y128-F148 AromaticContact CD2-CE2 3.86Å; Y128-F148 HydrophobicContact CD2-CE2 3.86Å; Y128-F148 HydrophobicContact CE2-CD2 4.41Å; Y128-F148 AromaticContact CE2-CE2 3.85Å; Y128-F148 HydrophobicContact CE2-CE2 3.85Å; Y131-F148 VanDerWaalsContact CB-CE2 3.49Å; Y131-F148 VanDerWaalsContact CB-CZ 3.42Å; Y131-F148 HydrophobicContact CD2-CB 4.09Å; Y131-F148 HydrophobicContact CD2-CD1 4.38Å; Y131-F148 AromaticContact CD2-CD2 3.92Å; Y131-F148 HydrophobicContact CD2-CD2 3.92Å; Y131-F148 AromaticContact CD2-CG 3.86Å; Y131-F148 HydrophobicContact CD2-CG 3.86Å; Y131-F148 HydrophobicContact CG-CD1 4.43Å; Y131-F148 HydrophobicContact CG-CD2 4.35Å; Y131-F148 HydrophobicContact CG-CG 4.3Å; Y131-F148 WeakPolarHBondContact O-CE1 3.39Å; Y131-F148 WeakPolarHBondContact O-CZ 3.35Å; K135-F148 HydrophobicContact CB-CE1 4.14Å; K135-F148 HydrophobicContact CB-CZ 4.47Å; K135-F148 HydrophobicContact CD-CE1 4.17Å; K135-F148 HydrophobicContact CD-CZ 4.4Å; T145-F148 HydrophobicContact CG2-CE1 4.29Å; P146-F148 PolarHBondContact O-N 3.1Å; F148-V212 HydrophobicContact CB-CG1 4.33Å; F148-V212 HydrophobicContact CD2-CG1 4.14Å; F148-I213 CarbonylContact C-O 3.52Å; F148-I213 WeakPolarHBondContact CA-O 3.45Å; F148-I213 VanDerWaalsContact CB-O 3.24Å; F148-I213 WeakPolarHBondContact CB-O 3.42Å; F148-Q214 HydrophobicContact CB-CB 4.23Å; F148-Q214 HydrophobicContact CB-CG 4.37Å
149	V	92.4	Very high	89.9	Confident	15 Å²	15	57.2 Å²	57.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.5	174.4	66	0	0	0	0	110.9	L151 L162 D166 I168 V212 I213	V149-L151 HydrophobicContact CG1-CD2 4.09Å; V149-L162 HydrophobicContact CG2-CB 4.49Å; V149-L162 HydrophobicContact CG2-CD2 4.36Å; V149-D166 HydrophobicContact CB-CB 4.47Å; V149-D166 WeakPolarHBondContact CG2-OD2 3.38Å; V149-I168 HydrophobicContact CB-CD1 4.28Å; V149-I168 HydrophobicContact CG1-CD1 3.76Å; V149-V212 WeakPolarHBondContact O-CA 3.38Å; V149-I213 HydrophobicContact CB-CG1 4.49Å; V149-I213 HydrophobicContact CG1-CD1 3.45Å; V149-I213 VanDerWaalsContact CG1-CD1 3.45Å; V149-I213 HydrophobicContact CG1-CG1 3.32Å; V149-I213 PolarHBondContact N-O 3.45Å; V149-I213 PolarHBondContact O-N 2.91Å
150	L	91.1	Very high	90.1	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.5	174.2	177.9	68.5	0	0	0	109.9	Y128 K152 F177 V212	Y128-L150 HydrophobicContact CD2-CB 3.66Å; Y128-L150 HydrophobicContact CE2-CB 3.76Å; Y128-L150 HydrophobicContact CG-CB 4.31Å; Y128-L150 HydrophobicContact CG-CD2 4.47Å; L150-K152 HydrophobicContact CD2-CG 4.35Å; L150-K152 HydrophobicContact CG-CG 4.38Å; L150-F177 HydrophobicContact CD1-CD1 4.05Å; L150-F177 HydrophobicContact CD1-CD2 4.21Å; L150-F177 HydrophobicContact CD1-CE1 4.2Å; L150-F177 HydrophobicContact CD1-CE2 4.36Å; L150-F177 HydrophobicContact CD1-CG 4.04Å; L150-F177 HydrophobicContact CD1-CZ 4.36Å; L150-V212 HydrophobicContact CD1-CG2 4Å
151	L	89.8	Confident	90.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.5	169.5	-54.4	-173	0	0	0	108.9	V149 I159 L162 I207 T209 P210 C211 I213	V149-L151 HydrophobicContact CG1-CD2 4.09Å; L151-I159 HydrophobicContact CD1-CD1 4.13Å; L151-I159 HydrophobicContact CD1-CG1 4Å; L151-I159 HydrophobicContact CD1-CG2 3.97Å; L151-I159 HydrophobicContact CD2-CG1 4.2Å; L151-I159 HydrophobicContact CD2-CG2 4.36Å; L151-L162 HydrophobicContact CD2-CD1 3.94Å; L151-I207 HydrophobicContact CD1-CD1 4.43Å; L151-I207 HydrophobicContact CD1-CG2 4.2Å; L151-T209 HydrophobicContact CB-CG2 4.18Å; L151-P210 CarbonylContact O-C 3.38Å; L151-P210 WeakPolarHBondContact O-CA 3.39Å; L151-P210 WeakPolarHBondContact O-CB 3.18Å; L151-C211 PolarHBondContact N-O 2.92Å; L151-C211 PolarHBondContact O-N 3.36Å; L151-I213 HydrophobicContact CD1-CD1 4.19Å; L151-I213 HydrophobicContact CD1-CG1 4.31Å; L151-I213 HydrophobicContact CD1-CG2 3.49Å; L151-I213 VanDerWaalsContact CD1-CG2 3.49Å; L151-I213 HydrophobicContact CD2-CD1 4.19Å; L151-I213 HydrophobicContact CD2-CG1 4.37Å; L151-I213 HydrophobicContact CG-CD1 4.32Å; L151-I213 HydrophobicContact CG-CG1 4.16Å; L151-I213 HydrophobicContact CG-CG2 4Å
152	K	87.3	Confident	91.4	Very high	157 Å²	157	53.3 Å²	53.3	68%	0.683	28%	0.283	S	S	*	.			trans	-91.5	-34.9	-178.8	-67.3	-177.1	-179.5	178.4	0	112.7	L150	L150-K152 HydrophobicContact CD2-CG 4.35Å; L150-K152 HydrophobicContact CG-CG 4.38Å
153	D	86.8	Confident	91.7	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-135.2	165.4	-178.9	59.7	67.9	0	0	0	110.5	D155 T209	D153-D155 VanDerWaalsContact C-N 3.34Å; D153-D155 WeakPolarHBondContact OD1-CB 3.45Å; D153-D155 PolarHBondContact OD1-N 3.23Å; D153-D155 VanDerWaalsContact OD1-N 3.12Å; D153-T209 WeakPolarHBondContact O-CG2 3.46Å
154	G	86.1	Confident	91.6	Very high	41 Å²	41	59.3 Å²	59.3	42%	0.423	31%	0.309	S	S	.	.			trans	-89.9	19.7	-176.9	0	0	0	0	0	114.6	T156 T209	G154-T156 PolarHBondContact O-N 3.3Å; G154-T156 VanDerWaalsContact O-N 3.14Å; G154-T209 PolarHBondContact N-OG1 3.21Å
155	D	91.8	Very high	91.6	Very high	64 Å²	64	60.5 Å²	60.5	34%	0.342	32%	0.317	S	S	.	.			trans	-71.7	107.2	177.7	-180	4.8	0	0	0	110.4	D153 K157 Q158 I159	D153-D155 VanDerWaalsContact C-N 3.34Å; D153-D155 WeakPolarHBondContact OD1-CB 3.45Å; D153-D155 PolarHBondContact OD1-N 3.23Å; D153-D155 VanDerWaalsContact OD1-N 3.12Å; D155-K157 PolarHBondContact O-N 2.84Å; D155-K157 VanDerWaalsContact O-N 3.14Å; D155-K157 PolarHBondContact OD1-N 3.43Å; D155-K157 VanDerWaalsContact OD1-N 3.11Å; D155-Q158 HydrophobicContact CB-CB 4.18Å; D155-Q158 HydrophobicContact CB-CG 4.21Å; D155-Q158 PolarHBondContact O-N 2.86Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.48Å; D155-Q158 PolarHBondContact OD2-NE2 2.86Å; D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 2.87Å
156	T	90.9	Very high	91.4	Very high	58 Å²	58	61.9 Å²	61.9	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-30.1	-175.9	57.1	0	0	0	0	113.1	G154 T160 L204	G154-T156 PolarHBondContact O-N 3.3Å; G154-T156 VanDerWaalsContact O-N 3.14Å; T156-T160 PolarHBondContact O-N 3.44Å; T156-T160 PolarHBondContact O-OG1 3.45Å; T156-L204 HydrophobicContact CG2-CB 4.01Å
157	K	91.6	Very high	91.3	Very high	168 Å²	168	69.8 Å²	69.8	73%	0.73	36%	0.361	S	S	*	.	H	α-helix	trans	-69	-42.7	176.4	-69.8	-176.6	179.8	179	0	111.7	D155 T160 A161	D155-K157 PolarHBondContact O-N 2.84Å; D155-K157 VanDerWaalsContact O-N 3.14Å; D155-K157 PolarHBondContact OD1-N 3.43Å; D155-K157 VanDerWaalsContact OD1-N 3.11Å; K157-T160 PolarHBondContact O-N 2.99Å; K157-A161 PolarHBondContact O-N 3.4Å; K157-A161 VanDerWaalsContact O-N 3.09Å
158	Q	91.2	Very high	91.1	Very high	97 Å²	97	67.9 Å²	67.9	45%	0.453	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-40.6	176.2	-71.2	179.7	56.2	0	0	111.2	D155 T160 A161 L162	D155-Q158 HydrophobicContact CB-CB 4.18Å; D155-Q158 HydrophobicContact CB-CG 4.21Å; D155-Q158 PolarHBondContact O-N 2.86Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.48Å; D155-Q158 PolarHBondContact OD2-NE2 2.86Å; Q158-T160 PolarHBondContact O-N 2.92Å; Q158-A161 PolarHBondContact O-N 3.26Å; Q158-L162 WeakPolarHBondContact O-CB 3.49Å; Q158-L162 WeakPolarHBondContact O-CG 2.98Å; Q158-L162 PolarHBondContact O-N 2.92Å
159	I	91.7	Very high	91	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-49.5	175.3	-64.2	169.4	0	0	0	110.1	L151 D155 A161 L162 L163 L204	L151-I159 HydrophobicContact CD1-CD1 4.13Å; L151-I159 HydrophobicContact CD1-CG1 4Å; L151-I159 HydrophobicContact CD1-CG2 3.97Å; L151-I159 HydrophobicContact CD2-CG1 4.2Å; L151-I159 HydrophobicContact CD2-CG2 4.36Å; D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 2.87Å; I159-A161 PolarHBondContact O-N 2.97Å; I159-L162 PolarHBondContact O-N 3.37Å; I159-L163 HydrophobicContact CG2-CD1 4.02Å; I159-L163 HydrophobicContact CG2-CG 4.29Å; I159-L163 VanDerWaalsContact O-CG 3.28Å; I159-L163 WeakPolarHBondContact O-CG 3.25Å; I159-L163 PolarHBondContact O-N 2.97Å; I159-L204 HydrophobicContact CG2-CD1 4.46Å; I159-L204 HydrophobicContact CG2-CD2 3.85Å
160	T	92.5	Very high	90.9	Very high	55 Å²	55	71 Å²	71	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-58.1	-45.5	177.1	-58.9	0	0	0	0	112.2	T156 K157 Q158 L162 L163 E164 L204	T156-T160 PolarHBondContact O-N 3.44Å; T156-T160 PolarHBondContact O-OG1 3.45Å; K157-T160 PolarHBondContact O-N 2.99Å; Q158-T160 PolarHBondContact O-N 2.92Å; T160-L162 VanDerWaalsContact C-N 3.32Å; T160-L162 PolarHBondContact O-N 3.24Å; T160-L163 WeakPolarHBondContact O-CB 3.4Å; T160-L163 PolarHBondContact O-N 3.43Å; T160-E164 PolarHBondContact O-N 2.97Å; T160-E164 VanDerWaalsContact O-N 3.07Å; T160-L204 WeakPolarHBondContact OG1-CD1 3.46Å
161	A	93.2	Very high	90.8	Very high	56 Å²	56	69.8 Å²	69.8	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-36.5	178.3	0	0	0	0	0	112.8	K157 Q158 I159 K165	K157-A161 PolarHBondContact O-N 3.4Å; K157-A161 VanDerWaalsContact O-N 3.09Å; Q158-A161 PolarHBondContact O-N 3.26Å; I159-A161 PolarHBondContact O-N 2.97Å; A161-K165 VanDerWaalsContact O-CB 3.3Å; A161-K165 WeakPolarHBondContact O-CB 3.44Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.09Å
162	L	92.4	Very high	90.6	Very high	52 Å²	52	69.7 Å²	69.7	27%	0.272	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-41.8	175.1	-72.9	170.8	0	0	0	111.8	V149 L151 Q158 I159 T160 E164 K165 D166	V149-L162 HydrophobicContact CG2-CB 4.49Å; V149-L162 HydrophobicContact CG2-CD2 4.36Å; L151-L162 HydrophobicContact CD2-CD1 3.94Å; Q158-L162 WeakPolarHBondContact O-CB 3.49Å; Q158-L162 WeakPolarHBondContact O-CG 2.98Å; Q158-L162 PolarHBondContact O-N 2.92Å; I159-L162 PolarHBondContact O-N 3.37Å; T160-L162 VanDerWaalsContact C-N 3.32Å; T160-L162 PolarHBondContact O-N 3.24Å; L162-E164 PolarHBondContact O-N 3.18Å; L162-K165 PolarHBondContact O-N 3.2Å; L162-D166 WeakPolarHBondContact O-CB 3.4Å; L162-D166 PolarHBondContact O-N 2.92Å
163	L	92.4	Very high	90.2	Very high	9 Å²	9	62.9 Å²	62.9	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-47.5	176.2	-71.8	172.2	0	0	0	111.6	I159 T160 Q167 I168 F170 F172 L204 I213	I159-L163 HydrophobicContact CG2-CD1 4.02Å; I159-L163 HydrophobicContact CG2-CG 4.29Å; I159-L163 VanDerWaalsContact O-CG 3.28Å; I159-L163 WeakPolarHBondContact O-CG 3.25Å; I159-L163 PolarHBondContact O-N 2.97Å; T160-L163 WeakPolarHBondContact O-CB 3.4Å; T160-L163 PolarHBondContact O-N 3.43Å; L163-Q167 PolarHBondContact O-N 3.02Å; L163-I168 HydrophobicContact CD2-CB 3.69Å; L163-I168 HydrophobicContact CD2-CG2 3.58Å; L163-I168 PolarHBondContact O-N 3.32Å; L163-F170 HydrophobicContact CD1-CZ 4.21Å; L163-F172 HydrophobicContact CD1-CE1 3.71Å; L163-F172 HydrophobicContact CD1-CZ 4.21Å; L163-F172 HydrophobicContact CD2-CD1 3.94Å; L163-F172 HydrophobicContact CD2-CE1 3.65Å; L163-F172 HydrophobicContact CD2-CZ 4.23Å; L163-F172 HydrophobicContact CG-CE1 4.36Å; L163-L204 HydrophobicContact CD1-CD2 3.96Å; L163-I213 HydrophobicContact CD2-CD1 3.23Å; L163-I213 HydrophobicContact CG-CD1 4.21Å
164	E	92.4	Very high	89.5	Confident	148 Å²	148	59.7 Å²	59.7	69%	0.692	32%	0.316	S	S	*	.	H	α-helix	trans	-62.7	-46.4	177	-71.2	176.2	-178.2	0	0	111.7	T160 L162 D166 Q167	T160-E164 PolarHBondContact O-N 2.97Å; T160-E164 VanDerWaalsContact O-N 3.07Å; L162-E164 PolarHBondContact O-N 3.18Å; E164-D166 PolarHBondContact O-N 3.49Å; E164-Q167 PolarHBondContact O-N 3.14Å
165	K	93.5	Very high	88.9	Confident	156 Å²	156	57.9 Å²	57.9	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-44.8	-179.5	179.3	-173.9	173.1	-174	0	112.6	A161 L162 Q167	A161-K165 VanDerWaalsContact O-CB 3.3Å; A161-K165 WeakPolarHBondContact O-CB 3.44Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.09Å; L162-K165 PolarHBondContact O-N 3.2Å; K165-Q167 VanDerWaalsContact C-N 3.32Å
166	D	89.8	Confident	87.4	Confident	48 Å²	48	56.2 Å²	56.2	26%	0.257	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	8.3	-177	-72.9	-64.2	0	0	0	113	V149 L162 E164 I168	V149-D166 HydrophobicContact CB-CB 4.47Å; V149-D166 WeakPolarHBondContact CG2-OD2 3.38Å; L162-D166 WeakPolarHBondContact O-CB 3.4Å; L162-D166 PolarHBondContact O-N 2.92Å; E164-D166 PolarHBondContact O-N 3.49Å; D166-I168 VanDerWaalsContact C-N 3.33Å; D166-I168 HydrophobicContact CB-CD1 4.31Å; D166-I168 HydrophobicContact CB-CG1 4.46Å; D166-I168 PolarHBondContact O-N 3.43Å
167	Q	92	Very high	85.7	Confident	167 Å²	167	54.9 Å²	54.9	78%	0.78	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	43.1	176.4	-62.1	170.5	68	0	0	113.2	L163 E164 K165	L163-Q167 PolarHBondContact O-N 3.02Å; E164-Q167 PolarHBondContact O-N 3.14Å; K165-Q167 VanDerWaalsContact C-N 3.32Å
168	I	91.4	Very high	83.8	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.056	26%	0.257	C	S	.	.			trans	-99.1	122.1	175	-61.5	169.9	0	0	0	108.6	P147 V149 L163 D166 F172 I213	P147-I168 HydrophobicContact CB-CG1 3.85Å; V149-I168 HydrophobicContact CB-CD1 4.28Å; V149-I168 HydrophobicContact CG1-CD1 3.76Å; L163-I168 HydrophobicContact CD2-CB 3.69Å; L163-I168 HydrophobicContact CD2-CG2 3.58Å; L163-I168 PolarHBondContact O-N 3.32Å; D166-I168 VanDerWaalsContact C-N 3.33Å; D166-I168 HydrophobicContact CB-CD1 4.31Å; D166-I168 HydrophobicContact CB-CG1 4.46Å; D166-I168 PolarHBondContact O-N 3.43Å; I168-F172 HydrophobicContact CG2-CB 3.86Å; I168-F172 HydrophobicContact CG2-CD1 3.98Å; I168-F172 HydrophobicContact CG2-CG 4.14Å; I168-I213 HydrophobicContact CD1-CD1 4.06Å; I168-I213 HydrophobicContact CD1-CG1 4.2Å
169	S	91.6	Very high	81.4	Confident	67 Å²	67	46.4 Å²	46.4	47%	0.469	24%	0.244	S	C	.	.			trans	-107	165.2	176.6	71.1	0	0	0	0	111.6	P171 Q215	S169-P171 CarbonylContact O-C 3.57Å; S169-P171 VanDerWaalsContact O-O 3.11Å; S169-Q215 PolarHBondContact O-NE2 3Å; S169-Q215 VanDerWaalsContact O-NE2 3.08Å; S169-Q215 PolarHBondContact O-OE1 2.91Å; S169-Q215 VanDerWaalsContact O-OE1 3.14Å; S169-Q215 PolarHBondContact OG-OE1 2.76Å
170	F	89.4	Confident	78.8	Confident	32 Å²	32	50.1 Å²	50.1	14%	0.14	27%	0.267	C	S	.	.	S	Bend	trans	-75.1	149.4	172	-61.7	-78.4	0	0	0	111.6	L163 F172 V198 F199 G200 P201 L204 E246	L163-F170 HydrophobicContact CD1-CZ 4.21Å; F170-F172 AromaticContact CD1-CD1 3.8Å; F170-F172 HydrophobicContact CD1-CD1 3.8Å; F170-F172 AromaticContact CD1-CE1 3.58Å; F170-F172 HydrophobicContact CD1-CE1 3.58Å; F170-F172 HydrophobicContact CD1-CZ 4.47Å; F170-F172 AromaticContact CE1-CD1 3.92Å; F170-F172 HydrophobicContact CE1-CD1 3.92Å; F170-F172 AromaticContact CE1-CE1 3.19Å; F170-F172 HydrophobicContact CE1-CE1 3.19Å; F170-F172 AromaticContact CE1-CZ 3.88Å; F170-F172 HydrophobicContact CE1-CZ 3.88Å; F170-F172 AromaticContact CZ-CE1 3.91Å; F170-F172 HydrophobicContact CZ-CE1 3.91Å; F170-V198 HydrophobicContact CD1-CG1 4.12Å; F170-V198 HydrophobicContact CE1-CG1 3.75Å; F170-F199 WeakPolarHBondContact CB-O 3.1Å; F170-G200 VanDerWaalsContact CD1-CA 3.45Å; F170-G200 VanDerWaalsContact CD1-N 3.29Å; F170-G200 VanDerWaalsContact CE1-O 3.28Å; F170-G200 WeakPolarHBondContact CE1-O 3.27Å; F170-G200 VanDerWaalsContact CZ-C 3.41Å; F170-P201 HydrophobicContact CD2-CG 4.49Å; F170-P201 HydrophobicContact CE2-CG 3.74Å; F170-P201 HydrophobicContact CZ-CB 4.46Å; F170-P201 HydrophobicContact CZ-CG 4.15Å; F170-L204 HydrophobicContact CE1-CD2 4.02Å; F170-L204 HydrophobicContact CZ-CD2 3.96Å; F170-L204 HydrophobicContact CZ-CG 4.27Å; F170-E246 HydrophobicContact CB-CB 4.07Å; F170-E246 HydrophobicContact CB-CG 3.89Å
171	P	88.1	Confident	75.7	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.052	29%	0.287	C	S	.	.	S	Bend	cis	-74.3	157.4	-10.9	30.6	-29.4	0	0	0	111.4	S169 L197 V198 F199 Q215 F216 F244	S169-P171 CarbonylContact O-C 3.57Å; S169-P171 VanDerWaalsContact O-O 3.11Å; P171-L197 HydrophobicContact CB-CD1 4.08Å; P171-V198 CarbonylContact C-O 3.48Å; P171-V198 WeakPolarHBondContact CA-O 3.38Å; P171-V198 WeakPolarHBondContact CB-O 2.94Å; P171-F199 HydrophobicContact CB-CD1 4.15Å; P171-Q215 PolarHBondContact O-NE2 3.24Å; P171-F216 HydrophobicContact CB-CB 4.35Å; P171-F216 HydrophobicContact CG-CB 4.03Å; P171-F216 HydrophobicContact CG-CD1 3.84Å; P171-F216 HydrophobicContact CG-CG 4.14Å; P171-F216 WeakPolarHBondContact O-CB 3.14Å; P171-F216 PolarHBondContact O-N 2.93Å; P171-F244 HydrophobicContact CG-CB 4.14Å
172	F	86.9	Confident	72.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.9	168.6	61.3	-107.7	0	0	0	110.7	L163 I168 F170 V198 L204 I207 I213 Q214	L163-F172 HydrophobicContact CD1-CE1 3.71Å; L163-F172 HydrophobicContact CD1-CZ 4.21Å; L163-F172 HydrophobicContact CD2-CD1 3.94Å; L163-F172 HydrophobicContact CD2-CE1 3.65Å; L163-F172 HydrophobicContact CD2-CZ 4.23Å; L163-F172 HydrophobicContact CG-CE1 4.36Å; I168-F172 HydrophobicContact CG2-CB 3.86Å; I168-F172 HydrophobicContact CG2-CD1 3.98Å; I168-F172 HydrophobicContact CG2-CG 4.14Å; F170-F172 AromaticContact CD1-CD1 3.8Å; F170-F172 HydrophobicContact CD1-CD1 3.8Å; F170-F172 AromaticContact CD1-CE1 3.58Å; F170-F172 HydrophobicContact CD1-CE1 3.58Å; F170-F172 HydrophobicContact CD1-CZ 4.47Å; F170-F172 AromaticContact CE1-CD1 3.92Å; F170-F172 HydrophobicContact CE1-CD1 3.92Å; F170-F172 AromaticContact CE1-CE1 3.19Å; F170-F172 HydrophobicContact CE1-CE1 3.19Å; F170-F172 AromaticContact CE1-CZ 3.88Å; F170-F172 HydrophobicContact CE1-CZ 3.88Å; F170-F172 AromaticContact CZ-CE1 3.91Å; F170-F172 HydrophobicContact CZ-CE1 3.91Å; F172-V198 HydrophobicContact CD2-CB 4.16Å; F172-V198 HydrophobicContact CD2-CG2 4.38Å; F172-V198 HydrophobicContact CE1-CB 4.46Å; F172-V198 HydrophobicContact CE1-CG1 4.46Å; F172-V198 HydrophobicContact CE2-CB 3.72Å; F172-V198 HydrophobicContact CE2-CG1 4.3Å; F172-V198 HydrophobicContact CE2-CG2 3.75Å; F172-V198 HydrophobicContact CZ-CB 3.9Å; F172-V198 HydrophobicContact CZ-CG1 3.98Å; F172-V198 HydrophobicContact CZ-CG2 4.24Å; F172-V198 PolarHBondContact N-O 3.01Å; F172-V198 PolarHBondContact O-N 3.12Å; F172-L204 HydrophobicContact CE1-CD2 4.18Å; F172-L204 HydrophobicContact CZ-CD2 3.69Å; F172-I207 HydrophobicContact CE2-CD1 3.78Å; F172-I207 HydrophobicContact CZ-CD1 3.81Å; F172-I213 HydrophobicContact CD2-CB 3.98Å; F172-I213 HydrophobicContact CD2-CG2 4.04Å; F172-I213 HydrophobicContact CE2-CB 4.21Å; F172-I213 HydrophobicContact CE2-CD1 4.39Å; F172-I213 HydrophobicContact CE2-CG2 3.82Å; F172-Q214 WeakPolarHBondContact CB-O 3.45Å
173	V	78.8	Confident	69.8	Low	14 Å²	14	63.4 Å²	63.4	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.3	177	-173.9	0	0	0	0	108.9	L175 M195 Q196 L197 I213 Q214 F216 F254	V173-L175 HydrophobicContact CG1-CD2 3.77Å; V173-L175 HydrophobicContact CG1-CG 4.21Å; V173-M195 HydrophobicContact CG1-CB 4.13Å; V173-M195 HydrophobicContact CG1-SD 4.36Å; V173-Q196 CarbonylContact C-O 3.53Å; V173-Q196 WeakPolarHBondContact CA-O 3.35Å; V173-L197 HydrophobicContact CG2-CD1 3.9Å; V173-I213 CarbonylContact O-C 3.57Å; V173-I213 WeakPolarHBondContact O-CA 3.34Å; V173-Q214 PolarHBondContact N-O 3.31Å; V173-Q214 PolarHBondContact O-N 3.31Å; V173-F216 HydrophobicContact CG2-CB 4.35Å; V173-F216 HydrophobicContact CG2-CD2 3.8Å; V173-F254 HydrophobicContact CG1-CZ 4.26Å
174	G	72.8	Confident	67	Low	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.1	163.5	0	0	0	0	0	110.8	M195 Q196	G174-M195 CarbonylContact O-C 3.48Å; G174-M195 VanDerWaalsContact O-CA 3.28Å; G174-M195 WeakPolarHBondContact O-CA 3.2Å; G174-Q196 PolarHBondContact N-O 3.4Å; G174-Q196 PolarHBondContact O-N 3.16Å
175	L	72.9	Confident	63.9	Low	4 Å²	4	67.7 Å²	67.7	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.6	-179.8	-59.6	168.2	0	0	0	107.2	Y131 V173 F177 M195 C211 V212 Q214	Y131-L175 HydrophobicContact CE2-CD1 3.63Å; Y131-L175 WeakPolarHBondContact OH-CD1 3.5Å; V173-L175 HydrophobicContact CG1-CD2 3.77Å; V173-L175 HydrophobicContact CG1-CG 4.21Å; L175-F177 PolarHBondContact O-N 2.72Å; L175-M195 HydrophobicContact CD2-CB 4.32Å; L175-M195 HydrophobicContact CD2-CE 3.47Å; L175-M195 VanDerWaalsContact CD2-CE 3.47Å; L175-M195 HydrophobicContact CD2-CG 3.57Å; L175-M195 HydrophobicContact CD2-SD 3.48Å; L175-M195 WeakPolarHBondContact CD2-SD 3.13Å; L175-C211 WeakPolarHBondContact O-CA 3.46Å; L175-C211 VanDerWaalsContact O-CB 3.28Å; L175-C211 WeakPolarHBondContact O-CB 3.38Å; L175-V212 WeakPolarHBondContact CA-O 3.41Å; L175-V212 HydrophobicContact CB-CB 4.49Å; L175-V212 WeakPolarHBondContact CB-O 3.41Å; L175-V212 PolarHBondContact N-O 3.15Å; L175-V212 PolarHBondContact O-N 3.47Å; L175-Q214 HydrophobicContact CD1-CB 4.31Å
176	L	60	Low	60.7	Low	29 Å²	29	64 Å²	64	15%	0.152	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	122.7	-176.9	-172.9	64.3	0	0	0	109.2	R127 N191 R194 E208	R127-L176 PolarHBondContact NH1-O 3.2Å; L176-N191 HydrophobicContact CD2-CB 4.33Å; L176-R194 PolarHBondContact N-O 3.46Å; L176-E208 HydrophobicContact CD1-CB 3.73Å
177	F	55.5	Low	58	Low	29 Å²	29	68.5 Å²	68.5	13%	0.127	38%	0.38	C	S	.	.			trans	-99.6	115.7	179.2	-179.8	-99	0	0	0	105	N126 L150 L175 P179 P210 C211 V212	N126-F177 VanDerWaalsContact ND2-CE2 3.34Å; N126-F177 WeakPolarHBondContact ND2-CE2 3.15Å; N126-F177 WeakPolarHBondContact ND2-CZ 3.37Å; N126-F177 WeakPolarHBondContact OD1-CE2 3.16Å; L150-F177 HydrophobicContact CD1-CD1 4.05Å; L150-F177 HydrophobicContact CD1-CD2 4.21Å; L150-F177 HydrophobicContact CD1-CE1 4.2Å; L150-F177 HydrophobicContact CD1-CE2 4.36Å; L150-F177 HydrophobicContact CD1-CG 4.04Å; L150-F177 HydrophobicContact CD1-CZ 4.36Å; L175-F177 PolarHBondContact O-N 2.72Å; F177-P179 HydrophobicContact CD1-CB 3.94Å; F177-P179 HydrophobicContact CE1-CB 3.82Å; F177-P179 WeakPolarHBondContact O-CD 3.38Å; F177-P210 WeakPolarHBondContact CB-O 3.25Å; F177-P210 HydrophobicContact CD1-CB 4.16Å; F177-P210 HydrophobicContact CD1-CG 4.08Å; F177-P210 PolarHBondContact N-O 3.48Å; F177-P210 VanDerWaalsContact N-O 3.12Å; F177-C211 VanDerWaalsContact CB-CA 3.42Å; F177-V212 HydrophobicContact CB-CG2 4.45Å; F177-V212 HydrophobicContact CD2-CG2 3.87Å; F177-V212 HydrophobicContact CG-CG2 4.49Å
178	I	51.1	Low	55.6	Low	58 Å²	58	62.8 Å²	62.8	30%	0.297	37%	0.367	S	S	.	.			trans	-79.8	104.7	168.2	-55.2	176.9	0	0	0	104.6	V180 N191	I178-V180 PolarHBondContact O-N 2.78Å; I178-N191 HydrophobicContact CD1-CB 4.01Å
179	P	41.7	Very low	53.7	Low	29 Å²	29	64.8 Å²	64.8	19%	0.188	38%	0.38	C	S	.	.			trans	-68	128.4	175.8	34.9	-32.8	0	0	0	106.6	F177 C181 K182 P210	F177-P179 HydrophobicContact CD1-CB 3.94Å; F177-P179 HydrophobicContact CE1-CB 3.82Å; F177-P179 WeakPolarHBondContact O-CD 3.38Å; P179-C181 PolarHBondContact O-N 3.35Å; P179-C181 VanDerWaalsContact O-N 3.09Å; P179-K182 HydrophobicContact CG-CB 4.29Å; P179-K182 HydrophobicContact CG-CD 4.38Å; P179-K182 HydrophobicContact CG-CG 4.33Å; P179-K182 PolarHBondContact O-N 3.06Å; P179-P210 HydrophobicContact CB-CG 3.67Å; P179-P210 HydrophobicContact CG-CG 3.32Å
180	V	37.2	Very low	52	Low	81 Å²	81	67.9 Å²	67.9	49%	0.491	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	120.4	156.8	-171	0	0	0	0	105.9	D89 I178	D89-V180 HydrophobicContact CB-CG1 4.42Å; I178-V180 PolarHBondContact O-N 2.78Å
181	C	26.6	Very low	50.6	Low	113 Å²	113	69 Å²	69	76%	0.764	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	19.2	-179.7	-47.1	0	0	0	0	121	P179	P179-C181 PolarHBondContact O-N 3.35Å; P179-C181 VanDerWaalsContact O-N 3.09Å
182	K	33.6	Very low	49.5	Very low	140 Å²	140	70.4 Å²	70.4	61%	0.609	41%	0.406	S	S	*	.			trans	-115.9	116.3	158.1	-76.7	-173.4	179.8	177.4	0	112	P179 L184	P179-K182 HydrophobicContact CG-CB 4.29Å; P179-K182 HydrophobicContact CG-CD 4.38Å; P179-K182 HydrophobicContact CG-CG 4.33Å; P179-K182 PolarHBondContact O-N 3.06Å; K182-L184 PolarHBondContact O-N 3.3Å
183	H	29	Very low	48.8	Very low	189 Å²	189	74 Å²	74	88%	0.875	42%	0.423	S	S	*	.			trans	-66.8	76.3	171.3	-67	39.5	0	0	0	109.5	A185	H183-A185 PolarHBondContact O-N 3.02Å
184	L	32.4	Very low	48.7	Very low	154 Å²	154	77.9 Å²	77.9	81%	0.806	44%	0.436	S	S	*	.			trans	-87.2	83.7	159	-89.6	155.4	0	0	0	106.9	K182	K182-L184 PolarHBondContact O-N 3.3Å
185	A	28	Very low	49.3	Very low	92 Å²	92	79.3 Å²	79.3	76%	0.76	44%	0.443	S	S	*	.			trans	-50.6	138	169.4	0	0	0	0	0	110.3	H183	H183-A185 PolarHBondContact O-N 3.02Å
186	A	27.1	Very low	49.9	Very low	80 Å²	80	80.1 Å²	80.1	66%	0.661	45%	0.447	S	S	*	.	S	Bend	trans	78.2	113.9	174.5	0	0	0	0	0	115.9
187	H	32.4	Very low	51.2	Low	141 Å²	141	78.8 Å²	78.8	65%	0.653	44%	0.44	S	S	*	.			trans	99.3	60.4	163.8	-58.2	51.5	0	0	0	117.9
188	G	40.4	Very low	52.8	Low	48 Å²	48	77.4 Å²	77.4	50%	0.495	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-174.9	132	0	0	0	0	0	119.9	E190	G188-E190 PolarHBondContact O-N 3.14Å
189	T	53.4	Low	54.6	Low	53 Å²	53	75 Å²	75	33%	0.325	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	0.8	-179.2	53.1	0	0	0	0	115.1
190	E	55.8	Low	56.8	Low	131 Å²	131	73.7 Å²	73.7	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.5	-173.8	-63.4	-171.3	165.1	0	0	112.4	G188 A192 H193	G188-E190 PolarHBondContact O-N 3.14Å; E190-A192 VanDerWaalsContact C-N 3.3Å; E190-A192 PolarHBondContact O-N 2.93Å; E190-H193 PolarHBondContact O-N 3Å
191	N	59.8	Low	59.4	Low	56 Å²	56	73.8 Å²	73.8	30%	0.299	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-67.5	-28.1	-180	-73.2	-22.4	0	0	0	113.3	L176 I178 H193 R194	L176-N191 HydrophobicContact CD2-CB 4.33Å; I178-N191 HydrophobicContact CD1-CB 4.01Å; N191-H193 PolarHBondContact O-N 3.4Å; N191-H193 VanDerWaalsContact O-N 3.15Å; N191-R194 WeakPolarHBondContact O-CB 3.04Å; N191-R194 PolarHBondContact O-N 3.23Å; N191-R194 VanDerWaalsContact O-N 3.09Å; N191-R194 WeakPolarHBondContact OD1-CD 3.44Å
192	A	65	Low	62.4	Low	37 Å²	37	71.4 Å²	71.4	31%	0.306	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.9	178.1	0	0	0	0	0	113.1	R127 E190	R127-A192 PolarHBondContact NH1-O 2.72Å; R127-A192 PolarHBondContact NH2-O 3.24Å; E190-A192 VanDerWaalsContact C-N 3.3Å; E190-A192 PolarHBondContact O-N 2.93Å
193	H	70.6	Confident	65	Low	76 Å²	76	64.7 Å²	64.7	35%	0.352	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-93.2	-7.4	178.5	-63.7	-61.2	0	0	0	113.9	E190 N191 E255 S256	E190-H193 PolarHBondContact O-N 3Å; N191-H193 PolarHBondContact O-N 3.4Å; N191-H193 VanDerWaalsContact O-N 3.15Å; H193-E255 CarbonylContact O-C 3.44Å; H193-E255 VanDerWaalsContact O-CA 3.3Å; H193-E255 WeakPolarHBondContact O-CA 3.22Å; H193-S256 PolarHBondContact ND1-OG 2.89Å; H193-S256 PolarHBondContact O-N 3.05Å
194	R	77.8	Confident	67.9	Low	95 Å²	95	56 Å²	56	36%	0.358	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.9	177.4	-66.8	174.8	65	98.9	-4.5	110.1	L176 N191 E208 E255	L176-R194 PolarHBondContact N-O 3.46Å; N191-R194 WeakPolarHBondContact O-CB 3.04Å; N191-R194 PolarHBondContact O-N 3.23Å; N191-R194 VanDerWaalsContact O-N 3.09Å; N191-R194 WeakPolarHBondContact OD1-CD 3.44Å; R194-E208 IonicContact NH2-OE1 3.58Å; R194-E208 PolarHBondContact NH2-OE1 3.16Å; R194-E255 HydrophobicContact CG-CG 4.46Å
195	M	86.2	Confident	70.6	Confident	30 Å²	30	56.3 Å²	56.3	15%	0.148	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.7	179.4	-57.6	-176.6	174.1	0	0	109.2	V173 G174 L175 A253 F254	V173-M195 HydrophobicContact CG1-CB 4.13Å; V173-M195 HydrophobicContact CG1-SD 4.36Å; G174-M195 CarbonylContact O-C 3.48Å; G174-M195 VanDerWaalsContact O-CA 3.28Å; G174-M195 WeakPolarHBondContact O-CA 3.2Å; L175-M195 HydrophobicContact CD2-CB 4.32Å; L175-M195 HydrophobicContact CD2-CE 3.47Å; L175-M195 VanDerWaalsContact CD2-CE 3.47Å; L175-M195 HydrophobicContact CD2-CG 3.57Å; L175-M195 HydrophobicContact CD2-SD 3.48Å; L175-M195 WeakPolarHBondContact CD2-SD 3.13Å; M195-A253 CarbonylContact O-C 3.54Å; M195-A253 WeakPolarHBondContact O-CA 3.37Å; M195-F254 HydrophobicContact CB-CD1 4.3Å; M195-F254 HydrophobicContact CB-CD2 4.24Å; M195-F254 HydrophobicContact CB-CE1 3.77Å; M195-F254 HydrophobicContact CB-CE2 3.72Å; M195-F254 HydrophobicContact CB-CZ 3.45Å; M195-F254 VanDerWaalsContact CB-CZ 3.45Å; M195-F254 HydrophobicContact CG-CE2 4.15Å; M195-F254 HydrophobicContact CG-CZ 4.21Å; M195-F254 PolarHBondContact N-O 3.13Å; M195-F254 PolarHBondContact O-N 3.34Å; M195-F254 HydrophobicContact SD-CE2 3.62Å; M195-F254 HydrophobicContact SD-CZ 3.81Å
196	Q	84.6	Confident	73.3	Confident	21 Å²	21	55.3 Å²	55.3	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.6	178	-64.4	178.3	-63.8	0	0	109.3	V173 G174 D206 T251 V252 A253	V173-Q196 CarbonylContact C-O 3.53Å; V173-Q196 WeakPolarHBondContact CA-O 3.35Å; G174-Q196 PolarHBondContact N-O 3.4Å; G174-Q196 PolarHBondContact O-N 3.16Å; Q196-D206 PolarHBondContact NE2-O 3.45Å; Q196-T251 HydrophobicContact CB-CG2 4.05Å; Q196-V252 CarbonylContact C-O 3.59Å; Q196-V252 WeakPolarHBondContact CA-O 3.36Å; Q196-A253 HydrophobicContact CG-CB 4.49Å
197	L	87.4	Confident	76	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.6	171.7	-175	65.5	0	0	0	108.7	P171 V173 F199 F216 F244 T251 V252 F254	P171-L197 HydrophobicContact CB-CD1 4.08Å; V173-L197 HydrophobicContact CG2-CD1 3.9Å; L197-F199 HydrophobicContact CB-CE2 4.26Å; L197-F199 HydrophobicContact CB-CZ 4.29Å; L197-F199 HydrophobicContact CD2-CE1 3.63Å; L197-F199 HydrophobicContact CD2-CE2 4.07Å; L197-F199 HydrophobicContact CD2-CZ 3.28Å; L197-F199 HydrophobicContact CG-CE1 3.99Å; L197-F199 HydrophobicContact CG-CE2 3.95Å; L197-F199 HydrophobicContact CG-CZ 3.63Å; L197-F199 WeakPolarHBondContact O-CE2 3.25Å; L197-F216 HydrophobicContact CD1-CB 4.32Å; L197-F216 HydrophobicContact CD1-CD2 3.81Å; L197-F216 HydrophobicContact CD1-CE2 4.45Å; L197-F216 HydrophobicContact CD1-CG 4.17Å; L197-F244 HydrophobicContact CD2-CB 4.34Å; L197-F244 HydrophobicContact CD2-CD1 4.18Å; L197-F244 HydrophobicContact CD2-CD2 3.41Å; L197-F244 VanDerWaalsContact CD2-CD2 3.41Å; L197-F244 HydrophobicContact CD2-CE1 4.31Å; L197-F244 HydrophobicContact CD2-CE2 3.61Å; L197-F244 HydrophobicContact CD2-CG 3.72Å; L197-F244 HydrophobicContact CD2-CZ 4.05Å; L197-T251 WeakPolarHBondContact O-CA 3.29Å; L197-V252 HydrophobicContact CB-CB 4.33Å; L197-V252 PolarHBondContact N-O 3.37Å; L197-V252 PolarHBondContact O-N 3.43Å; L197-F254 HydrophobicContact CB-CE1 4.24Å
198	V	88.2	Confident	78.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.5	-177.7	-174.9	0	0	0	0	108.7	F170 P171 F172 I207 T251	F170-V198 HydrophobicContact CD1-CG1 4.12Å; F170-V198 HydrophobicContact CE1-CG1 3.75Å; P171-V198 CarbonylContact C-O 3.48Å; P171-V198 WeakPolarHBondContact CA-O 3.38Å; P171-V198 WeakPolarHBondContact CB-O 2.94Å; F172-V198 HydrophobicContact CD2-CB 4.16Å; F172-V198 HydrophobicContact CD2-CG2 4.38Å; F172-V198 HydrophobicContact CE1-CB 4.46Å; F172-V198 HydrophobicContact CE1-CG1 4.46Å; F172-V198 HydrophobicContact CE2-CB 3.72Å; F172-V198 HydrophobicContact CE2-CG1 4.3Å; F172-V198 HydrophobicContact CE2-CG2 3.75Å; F172-V198 HydrophobicContact CZ-CB 3.9Å; F172-V198 HydrophobicContact CZ-CG1 3.98Å; F172-V198 HydrophobicContact CZ-CG2 4.24Å; F172-V198 PolarHBondContact N-O 3.01Å; F172-V198 PolarHBondContact O-N 3.12Å; V198-I207 HydrophobicContact CG2-CD1 4.07Å; V198-I207 HydrophobicContact CG2-CG1 3.85Å; V198-T251 HydrophobicContact CG2-CG2 4.11Å
199	F	89.2	Confident	80.6	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.031	25%	0.248	C	C	.	.			trans	-104.4	-11.7	-169.7	-62	-90.5	0	0	0	115	F170 P171 L197 F244 E246 G247 Y249 P250 V252	F170-F199 WeakPolarHBondContact CB-O 3.1Å; P171-F199 HydrophobicContact CB-CD1 4.15Å; L197-F199 HydrophobicContact CB-CE2 4.26Å; L197-F199 HydrophobicContact CB-CZ 4.29Å; L197-F199 HydrophobicContact CD2-CE1 3.63Å; L197-F199 HydrophobicContact CD2-CE2 4.07Å; L197-F199 HydrophobicContact CD2-CZ 3.28Å; L197-F199 HydrophobicContact CG-CE1 3.99Å; L197-F199 HydrophobicContact CG-CE2 3.95Å; L197-F199 HydrophobicContact CG-CZ 3.63Å; L197-F199 WeakPolarHBondContact O-CE2 3.25Å; F199-F244 HydrophobicContact CD1-CB 4.45Å; F199-F244 HydrophobicContact CE1-CB 3.8Å; F199-F244 AromaticContact CE1-CD1 3.52Å; F199-F244 HydrophobicContact CE1-CD1 3.52Å; F199-F244 HydrophobicContact CE1-CE1 4.26Å; F199-F244 AromaticContact CE1-CG 3.78Å; F199-F244 HydrophobicContact CE1-CG 3.78Å; F199-F244 AromaticContact CZ-CD1 3.94Å; F199-F244 HydrophobicContact CZ-CD1 3.94Å; F199-F244 HydrophobicContact CZ-CE1 4.23Å; F199-F244 HydrophobicContact CZ-CG 4.38Å; F199-E246 WeakPolarHBondContact O-CA 3.45Å; F199-E246 WeakPolarHBondContact O-CG 3.37Å; F199-G247 CarbonylContact C-O 3.51Å; F199-G247 WeakPolarHBondContact CB-O 3.44Å; F199-G247 PolarHBondContact O-N 3.28Å; F199-G247 VanDerWaalsContact O-N 3.07Å; F199-Y249 HydrophobicContact CB-CD2 4.23Å; F199-Y249 AromaticContact CD1-CD2 3.99Å; F199-Y249 HydrophobicContact CD1-CD2 3.99Å; F199-Y249 HydrophobicContact CG-CD2 4.16Å; F199-P250 WeakPolarHBondContact CE2-O 3.26Å; F199-V252 HydrophobicContact CE2-CB 4.18Å; F199-V252 HydrophobicContact CE2-CG2 3.76Å; F199-V252 HydrophobicContact CZ-CG2 4.13Å
200	G	89.4	Confident	82.2	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-173.8	175.4	-179	0	0	0	0	0	112	F170 H202 G203	F170-G200 VanDerWaalsContact CD1-CA 3.45Å; F170-G200 VanDerWaalsContact CD1-N 3.29Å; F170-G200 VanDerWaalsContact CE1-O 3.28Å; F170-G200 WeakPolarHBondContact CE1-O 3.27Å; F170-G200 VanDerWaalsContact CZ-C 3.41Å; G200-H202 PolarHBondContact O-N 2.9Å; G200-H202 VanDerWaalsContact O-N 3.14Å; G200-G203 PolarHBondContact O-N 3.14Å
201	P	91.3	Very high	83.7	Confident	84 Å²	84	40.9 Å²	40.9	55%	0.545	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-57.2	-29.4	-176	-26.2	34.2	0	0	0	114.7	F170 G203 L204	F170-P201 HydrophobicContact CD2-CG 4.49Å; F170-P201 HydrophobicContact CE2-CG 3.74Å; F170-P201 HydrophobicContact CZ-CB 4.46Å; F170-P201 HydrophobicContact CZ-CG 4.15Å; P201-G203 PolarHBondContact O-N 3.33Å; P201-L204 WeakPolarHBondContact O-CB 3.48Å; P201-L204 VanDerWaalsContact O-CG 3.32Å; P201-L204 WeakPolarHBondContact O-CG 3.35Å; P201-L204 PolarHBondContact O-N 3.34Å
202	H	89.1	Confident	85.1	Confident	62 Å²	62	38.2 Å²	38.2	29%	0.287	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.7	-26.3	178.3	60.4	-68.8	0	0	0	113.3	G200 K205 G247 D248 Y249	G200-H202 PolarHBondContact O-N 2.9Å; G200-H202 VanDerWaalsContact O-N 3.14Å; H202-K205 VanDerWaalsContact O-CE 3.28Å; H202-K205 WeakPolarHBondContact O-CE 3.49Å; H202-K205 WeakPolarHBondContact O-CG 3.4Å; H202-G247 PolarHBondContact CE1-O 2.71Å; H202-G247 VanDerWaalsContact CE1-O 3.32Å; H202-D248 IonicContact CD2-OD1 3.47Å; H202-D248 PolarHBondContact CD2-OD1 3.25Å; H202-D248 IonicContact CE1-OD1 2.69Å; H202-D248 IonicContact CG-OD1 3.69Å; H202-D248 IonicContact ND1-OD1 3.74Å; H202-D248 IonicContact NE2-OD1 3.5Å; H202-D248 PolarHBondContact NE2-OD1 2.97Å; H202-Y249 PolarHBondContact NE2-O 2.92Å
203	G	87.5	Confident	86.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-85.3	-7.6	179.2	0	0	0	0	0	114.4	G200 P201 K205 D206 T251	G200-G203 PolarHBondContact O-N 3.14Å; P201-G203 PolarHBondContact O-N 3.33Å; G203-K205 PolarHBondContact O-N 2.87Å; G203-D206 WeakPolarHBondContact O-CB 3.44Å; G203-D206 PolarHBondContact O-N 3.37Å; G203-T251 WeakPolarHBondContact CA-OG1 3.49Å
204	L	90.5	Very high	87.5	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31.7	179.8	-65	-177.4	0	0	0	112.8	T156 I159 T160 L163 F170 F172 P201 D206 I207	T156-L204 HydrophobicContact CG2-CB 4.01Å; I159-L204 HydrophobicContact CG2-CD1 4.46Å; I159-L204 HydrophobicContact CG2-CD2 3.85Å; T160-L204 WeakPolarHBondContact OG1-CD1 3.46Å; L163-L204 HydrophobicContact CD1-CD2 3.96Å; F170-L204 HydrophobicContact CE1-CD2 4.02Å; F170-L204 HydrophobicContact CZ-CD2 3.96Å; F170-L204 HydrophobicContact CZ-CG 4.27Å; F172-L204 HydrophobicContact CE1-CD2 4.18Å; F172-L204 HydrophobicContact CZ-CD2 3.69Å; P201-L204 WeakPolarHBondContact O-CB 3.48Å; P201-L204 VanDerWaalsContact O-CG 3.32Å; P201-L204 WeakPolarHBondContact O-CG 3.35Å; P201-L204 PolarHBondContact O-N 3.34Å; L204-D206 PolarHBondContact O-N 3.32Å; L204-I207 HydrophobicContact CD2-CD1 3.83Å; L204-I207 PolarHBondContact O-N 3.23Å
205	K	89	Confident	88.4	Confident	160 Å²	160	30 Å²	30	70%	0.696	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-69.2	-19.3	177	72.3	-169.8	178.6	-178.8	0	113.6	H202 G203	H202-K205 VanDerWaalsContact O-CE 3.28Å; H202-K205 WeakPolarHBondContact O-CE 3.49Å; H202-K205 WeakPolarHBondContact O-CG 3.4Å; G203-K205 PolarHBondContact O-N 2.87Å
206	D	85.4	Confident	88.7	Confident	70 Å²	70	29.3 Å²	29.3	37%	0.374	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-90.3	-8.2	-177.4	-53.1	-31.4	0	0	0	111.8	Q196 G203 L204 E208 T251	Q196-D206 PolarHBondContact NE2-O 3.45Å; G203-D206 WeakPolarHBondContact O-CB 3.44Å; G203-D206 PolarHBondContact O-N 3.37Å; L204-D206 PolarHBondContact O-N 3.32Å; D206-E208 PolarHBondContact O-N 2.83Å; D206-T251 HydrophobicContact CB-CG2 4.21Å; D206-T251 WeakPolarHBondContact OD2-CB 3.28Å; D206-T251 PolarHBondContact OD2-OG1 3.48Å
207	I	84.1	Confident	89.2	Confident	12 Å²	12	29.2 Å²	29.2	6%	0.062	15%	0.149	C	C	.	.			trans	-70	121.2	-175.1	-62.9	176.4	0	0	0	110.1	L151 F172 V198 L204 T209 C211	L151-I207 HydrophobicContact CD1-CD1 4.43Å; L151-I207 HydrophobicContact CD1-CG2 4.2Å; F172-I207 HydrophobicContact CE2-CD1 3.78Å; F172-I207 HydrophobicContact CZ-CD1 3.81Å; V198-I207 HydrophobicContact CG2-CD1 4.07Å; V198-I207 HydrophobicContact CG2-CG1 3.85Å; L204-I207 HydrophobicContact CD2-CD1 3.83Å; L204-I207 PolarHBondContact O-N 3.23Å; I207-T209 HydrophobicContact CG2-CG2 4.01Å; I207-C211 WeakPolarHBondContact CG2-SG 3.48Å
208	E	84.3	Confident	89.5	Confident	75 Å²	75	34.3 Å²	34.3	35%	0.35	17%	0.168	S	C	.	.			trans	-74.6	125.6	171.4	-67.1	177.2	-164.3	0	0	109.2	L176 R194 D206 C211	L176-E208 HydrophobicContact CD1-CB 3.73Å; R194-E208 IonicContact NH2-OE1 3.58Å; R194-E208 PolarHBondContact NH2-OE1 3.16Å; D206-E208 PolarHBondContact O-N 2.83Å; E208-C211 VanDerWaalsContact O-CB 3.29Å; E208-C211 WeakPolarHBondContact O-CB 3.47Å; E208-C211 PolarHBondContact O-SG 3.48Å
209	T	84.3	Confident	89.6	Confident	48 Å²	48	35 Å²	35	29%	0.294	17%	0.172	S	C	.	.	S	Bend	trans	-120.2	149.5	-178.7	56.4	0	0	0	0	112.4	L151 D153 G154 I207	L151-T209 HydrophobicContact CB-CG2 4.18Å; D153-T209 WeakPolarHBondContact O-CG2 3.46Å; G154-T209 PolarHBondContact N-OG1 3.21Å; I207-T209 HydrophobicContact CG2-CG2 4.01Å
210	P	86.9	Confident	89.6	Confident	16 Å²	16	35.6 Å²	35.6	10%	0.104	18%	0.179	C	C	.	.	S	Bend	cis	-75.3	152.7	0.9	31.4	-32.8	0	0	0	113	L151 F177 P179	L151-P210 CarbonylContact O-C 3.38Å; L151-P210 WeakPolarHBondContact O-CA 3.39Å; L151-P210 WeakPolarHBondContact O-CB 3.18Å; F177-P210 WeakPolarHBondContact CB-O 3.25Å; F177-P210 HydrophobicContact CD1-CB 4.16Å; F177-P210 HydrophobicContact CD1-CG 4.08Å; F177-P210 PolarHBondContact N-O 3.48Å; F177-P210 VanDerWaalsContact N-O 3.12Å; P179-P210 HydrophobicContact CB-CG 3.67Å; P179-P210 HydrophobicContact CG-CG 3.32Å
211	C	87.6	Confident	89.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	159.1	179	64.8	0	0	0	0	111.2	L151 L175 F177 I207 E208	L151-C211 PolarHBondContact N-O 2.92Å; L151-C211 PolarHBondContact O-N 3.36Å; L175-C211 WeakPolarHBondContact O-CA 3.46Å; L175-C211 VanDerWaalsContact O-CB 3.28Å; L175-C211 WeakPolarHBondContact O-CB 3.38Å; F177-C211 VanDerWaalsContact CB-CA 3.42Å; I207-C211 WeakPolarHBondContact CG2-SG 3.48Å; E208-C211 VanDerWaalsContact O-CB 3.29Å; E208-C211 WeakPolarHBondContact O-CB 3.47Å; E208-C211 PolarHBondContact O-SG 3.48Å
212	V	89.9	Confident	89.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.4	166.2	178	0	0	0	0	106.6	R127 Y128 Y131 F148 V149 L150 L175 F177	R127-V212 HydrophobicContact CB-CG2 4.25Å; Y128-V212 HydrophobicContact CD2-CG2 4.49Å; Y131-V212 HydrophobicContact CD2-CG1 3.71Å; Y131-V212 HydrophobicContact CE2-CG1 3.84Å; F148-V212 HydrophobicContact CB-CG1 4.33Å; F148-V212 HydrophobicContact CD2-CG1 4.14Å; V149-V212 WeakPolarHBondContact O-CA 3.38Å; L150-V212 HydrophobicContact CD1-CG2 4Å; L175-V212 WeakPolarHBondContact CA-O 3.41Å; L175-V212 HydrophobicContact CB-CB 4.49Å; L175-V212 WeakPolarHBondContact CB-O 3.41Å; L175-V212 PolarHBondContact N-O 3.15Å; L175-V212 PolarHBondContact O-N 3.47Å; F177-V212 HydrophobicContact CB-CG2 4.45Å; F177-V212 HydrophobicContact CD2-CG2 3.87Å; F177-V212 HydrophobicContact CG-CG2 4.49Å
213	I	91.5	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.8	170.1	60.6	164.7	0	0	0	109.1	F148 V149 L151 L163 I168 F172 V173	F148-I213 CarbonylContact C-O 3.52Å; F148-I213 WeakPolarHBondContact CA-O 3.45Å; F148-I213 VanDerWaalsContact CB-O 3.24Å; F148-I213 WeakPolarHBondContact CB-O 3.42Å; V149-I213 HydrophobicContact CB-CG1 4.49Å; V149-I213 HydrophobicContact CG1-CD1 3.45Å; V149-I213 VanDerWaalsContact CG1-CD1 3.45Å; V149-I213 HydrophobicContact CG1-CG1 3.32Å; V149-I213 PolarHBondContact N-O 3.45Å; V149-I213 PolarHBondContact O-N 2.91Å; L151-I213 HydrophobicContact CD1-CD1 4.19Å; L151-I213 HydrophobicContact CD1-CG1 4.31Å; L151-I213 HydrophobicContact CD1-CG2 3.49Å; L151-I213 VanDerWaalsContact CD1-CG2 3.49Å; L151-I213 HydrophobicContact CD2-CD1 4.19Å; L151-I213 HydrophobicContact CD2-CG1 4.37Å; L151-I213 HydrophobicContact CG-CD1 4.32Å; L151-I213 HydrophobicContact CG-CG1 4.16Å; L151-I213 HydrophobicContact CG-CG2 4Å; L163-I213 HydrophobicContact CD2-CD1 3.23Å; L163-I213 HydrophobicContact CG-CD1 4.21Å; I168-I213 HydrophobicContact CD1-CD1 4.06Å; I168-I213 HydrophobicContact CD1-CG1 4.2Å; F172-I213 HydrophobicContact CD2-CB 3.98Å; F172-I213 HydrophobicContact CD2-CG2 4.04Å; F172-I213 HydrophobicContact CE2-CB 4.21Å; F172-I213 HydrophobicContact CE2-CD1 4.39Å; F172-I213 HydrophobicContact CE2-CG2 3.82Å; V173-I213 CarbonylContact O-C 3.57Å; V173-I213 WeakPolarHBondContact O-CA 3.34Å
214	Q	94.1	Very high	89.8	Confident	13 Å²	13	31.3 Å²	31.3	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.1	178.5	-178.1	179	73.4	0	0	109.6	Y131 P146 P147 F148 F172 V173 L175 F216	Y131-Q214 HydrophobicContact CE2-CB 4.45Å; P146-Q214 HydrophobicContact CB-CG 3.77Å; P146-Q214 HydrophobicContact CG-CG 4.17Å; P147-Q214 WeakPolarHBondContact O-CA 3.4Å; F148-Q214 HydrophobicContact CB-CB 4.23Å; F148-Q214 HydrophobicContact CB-CG 4.37Å; F172-Q214 WeakPolarHBondContact CB-O 3.45Å; V173-Q214 PolarHBondContact N-O 3.31Å; V173-Q214 PolarHBondContact O-N 3.31Å; L175-Q214 HydrophobicContact CD1-CB 4.31Å; Q214-F216 PolarHBondContact O-N 2.79Å
215	Q	95.3	Very high	89.9	Confident	22 Å²	22	32 Å²	32	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	127.3	175.8	-179.6	59.9	59.5	0	0	110.8	P146 P147 S169 P171 I217	P146-Q215 HydrophobicContact CB-CB 4.19Å; P147-Q215 HydrophobicContact CB-CB 4.33Å; P147-Q215 HydrophobicContact CG-CB 4.44Å; P147-Q215 PolarHBondContact O-N 3.2Å; S169-Q215 PolarHBondContact O-NE2 3Å; S169-Q215 VanDerWaalsContact O-NE2 3.08Å; S169-Q215 PolarHBondContact O-OE1 2.91Å; S169-Q215 VanDerWaalsContact O-OE1 3.14Å; S169-Q215 PolarHBondContact OG-OE1 2.76Å; P171-Q215 PolarHBondContact O-NE2 3.24Å; Q215-I217 HydrophobicContact CB-CD1 4.46Å; Q215-I217 HydrophobicContact CG-CD1 3.75Å; Q215-I217 PolarHBondContact O-N 2.82Å
216	F	94	Very high	90.1	Very high	16 Å²	16	24.4 Å²	24.4	7%	0.07	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-74.9	122.4	169.9	-177.1	-91.9	0	0	0	108.4	P171 V173 L197 Q214 R218 L241 R242 F244	P171-F216 HydrophobicContact CB-CB 4.35Å; P171-F216 HydrophobicContact CG-CB 4.03Å; P171-F216 HydrophobicContact CG-CD1 3.84Å; P171-F216 HydrophobicContact CG-CG 4.14Å; P171-F216 WeakPolarHBondContact O-CB 3.14Å; P171-F216 PolarHBondContact O-N 2.93Å; V173-F216 HydrophobicContact CG2-CB 4.35Å; V173-F216 HydrophobicContact CG2-CD2 3.8Å; L197-F216 HydrophobicContact CD1-CB 4.32Å; L197-F216 HydrophobicContact CD1-CD2 3.81Å; L197-F216 HydrophobicContact CD1-CE2 4.45Å; L197-F216 HydrophobicContact CD1-CG 4.17Å; Q214-F216 PolarHBondContact O-N 2.79Å; F216-R218 HydrophobicContact CD1-CG 4.43Å; F216-R218 HydrophobicContact CE1-CG 4.1Å; F216-L241 HydrophobicContact CD2-CD1 4.48Å; F216-L241 HydrophobicContact CE2-CB 3.96Å; F216-L241 HydrophobicContact CE2-CD1 3.87Å; F216-L241 HydrophobicContact CZ-CB 4.33Å; F216-R242 WeakPolarHBondContact CZ-O 3.37Å; F216-F244 HydrophobicContact CE1-CB 4.18Å; F216-F244 HydrophobicContact CE1-CD2 4.25Å; F216-F244 HydrophobicContact CE2-CD2 4.11Å; F216-F244 AromaticContact CZ-CD2 3.73Å; F216-F244 HydrophobicContact CZ-CD2 3.73Å
217	I	93.9	Very high	90.5	Very high	18 Å²	18	21.1 Å²	21.1	9%	0.092	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-101.9	129.3	174.9	-55.5	-61.2	0	0	0	107.7	P146 Q215 H219 I310 D312 Y319	P146-I217 HydrophobicContact CB-CD1 4.39Å; P146-I217 HydrophobicContact CB-CG1 4.07Å; P146-I217 HydrophobicContact CG-CG1 4.02Å; Q215-I217 HydrophobicContact CB-CD1 4.46Å; Q215-I217 HydrophobicContact CG-CD1 3.75Å; Q215-I217 PolarHBondContact O-N 2.82Å; I217-H219 PolarHBondContact O-N 2.84Å; I217-H219 PolarHBondContact O-ND1 2.9Å; I217-I310 HydrophobicContact CB-CD1 3.72Å; I217-I310 HydrophobicContact CG1-CD1 4.31Å; I217-I310 HydrophobicContact CG2-CD1 4.2Å; I217-D312 HydrophobicContact CG2-CB 3.64Å; I217-Y319 HydrophobicContact CD1-CE2 4.23Å; I217-Y319 HydrophobicContact CG1-CD2 4.17Å; I217-Y319 HydrophobicContact CG1-CE2 4.25Å; I217-Y319 HydrophobicContact CG1-CG 4.46Å; I217-Y319 HydrophobicContact CG2-CD2 4Å; I217-Y319 HydrophobicContact CG2-CE2 4.04Å
218	R	93.4	Very high	91	Very high	109 Å²	109	20.5 Å²	20.5	41%	0.411	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-74.4	125.1	174.1	-60.1	-174.4	-62.6	165.3	-1.2	109.5	F216 D243 D312 Q313	F216-R218 HydrophobicContact CD1-CG 4.43Å; F216-R218 HydrophobicContact CE1-CG 4.1Å; R218-D243 WeakPolarHBondContact CA-OD1 3.42Å; R218-D243 HydrophobicContact CB-CB 4.26Å; R218-D243 WeakPolarHBondContact CB-OD1 3.43Å; R218-D243 HydrophobicContact CG-CB 4.24Å; R218-D312 WeakPolarHBondContact O-CA 3.43Å; R218-Q313 HydrophobicContact CB-CG 4.05Å; R218-Q313 PolarHBondContact O-N 3.43Å
219	H	91.9	Very high	91.5	Very high	14 Å²	14	17 Å²	17	7%	0.065	9%	0.085	C	C	.	.			trans	-141.8	22.4	-167.1	59.7	-84.2	0	0	0	113	I217 G221 I222 S240 L241 D243 I310 V311	I217-H219 PolarHBondContact O-N 2.84Å; I217-H219 PolarHBondContact O-ND1 2.9Å; H219-G221 PolarHBondContact O-N 3.18Å; H219-G221 VanDerWaalsContact O-N 3.12Å; H219-I222 PolarHBondContact CD2-O 2.8Å; H219-I222 VanDerWaalsContact CD2-O 3.29Å; H219-I222 PolarHBondContact O-N 2.81Å; H219-S240 WeakPolarHBondContact NE2-CB 3.3Å; H219-S240 PolarHBondContact NE2-OG 2.86Å; H219-L241 PolarHBondContact CE1-O 3.1Å; H219-L241 PolarHBondContact NE2-O 3.01Å; H219-D243 PolarHBondContact N-OD1 3.4Å; H219-I310 HydrophobicContact CB-CB 3.81Å; H219-I310 HydrophobicContact CB-CD1 4.4Å; H219-I310 HydrophobicContact CB-CG1 4.5Å; H219-I310 HydrophobicContact CB-CG2 4.34Å; H219-V311 VanDerWaalsContact CA-O 3.24Å; H219-V311 WeakPolarHBondContact CA-O 3.46Å; H219-V311 WeakPolarHBondContact CB-O 3.37Å
220	G	89	Confident	92	Very high	19 Å²	19	15 Å²	15	20%	0.196	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	14.9	172.2	0	0	0	0	0	114.8	D243	G220-D243 PolarHBondContact N-OD1 2.98Å
221	G	87.9	Confident	92.1	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	17.1	-178.7	0	0	0	0	0	115.2	H219 S240 L241	H219-G221 PolarHBondContact O-N 3.18Å; H219-G221 VanDerWaalsContact O-N 3.12Å; G221-S240 PolarHBondContact O-N 2.96Å; G221-L241 WeakPolarHBondContact CA-O 3.48Å
222	I	89.3	Confident	92.3	Very high	36 Å²	36	18.3 Å²	18.3	19%	0.185	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.8	-177.8	-43.2	-170.6	0	0	0	111.5	H219 Y224 V273 F275	H219-I222 PolarHBondContact CD2-O 2.8Å; H219-I222 VanDerWaalsContact CD2-O 3.29Å; H219-I222 PolarHBondContact O-N 2.81Å; I222-Y224 HydrophobicContact CB-CE2 4.16Å; I222-Y224 HydrophobicContact CG2-CD2 4.41Å; I222-Y224 HydrophobicContact CG2-CE1 3.96Å; I222-Y224 HydrophobicContact CG2-CE2 3.84Å; I222-V273 HydrophobicContact CD1-CG1 3.48Å; I222-V273 VanDerWaalsContact CD1-CG1 3.48Å; I222-V273 HydrophobicContact CG1-CB 4.47Å; I222-V273 HydrophobicContact CG1-CG1 3.62Å; I222-V273 HydrophobicContact CG1-CG2 4Å; I222-F275 HydrophobicContact CG2-CE1 4.29Å
223	L	90.9	Very high	92.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.1	168.4	172.3	75.5	0	0	0	109.2	S237 R238 D308 L309 I310 I321	L223-S237 CarbonylContact O-C 3.51Å; L223-S237 WeakPolarHBondContact O-CA 3.23Å; L223-R238 HydrophobicContact CB-CB 4.03Å; L223-R238 HydrophobicContact CD2-CB 4.09Å; L223-R238 HydrophobicContact CD2-CG 4.48Å; L223-R238 HydrophobicContact CG-CB 4.34Å; L223-R238 PolarHBondContact N-O 2.79Å; L223-R238 PolarHBondContact O-N 2.71Å; L223-D308 HydrophobicContact CD1-CB 3.58Å; L223-D308 HydrophobicContact CD2-CB 4.18Å; L223-D308 HydrophobicContact CG-CB 4.38Å; L223-L309 VanDerWaalsContact CD1-O 3.29Å; L223-L309 WeakPolarHBondContact CD1-O 3.36Å; L223-I310 HydrophobicContact CD1-CG2 3.93Å; L223-I321 HydrophobicContact CD1-CD1 4.05Å; L223-I321 HydrophobicContact CD1-CG1 4.42Å
224	Y	92.2	Very high	92.3	Very high	19 Å²	19	18.6 Å²	18.6	8%	0.075	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.7	173	-57.7	-89.3	0	0	0	109.5	I222 M226 L280 P281 I284 L309 V311	I222-Y224 HydrophobicContact CB-CE2 4.16Å; I222-Y224 HydrophobicContact CG2-CD2 4.41Å; I222-Y224 HydrophobicContact CG2-CE1 3.96Å; I222-Y224 HydrophobicContact CG2-CE2 3.84Å; Y224-M226 PolarHBondContact O-N 2.85Å; Y224-L280 HydrophobicContact CD1-CD2 3.69Å; Y224-L280 HydrophobicContact CE1-CD2 3.79Å; Y224-P281 VanDerWaalsContact CE1-CD 3.47Å; Y224-P281 HydrophobicContact CE1-CG 4.04Å; Y224-P281 HydrophobicContact CE2-CG 4.14Å; Y224-P281 VanDerWaalsContact CZ-CD 3.47Å; Y224-P281 VanDerWaalsContact CZ-CG 3.48Å; Y224-P281 VanDerWaalsContact OH-CD 3.25Å; Y224-P281 WeakPolarHBondContact OH-CD 3.17Å; Y224-P281 WeakPolarHBondContact OH-CG 3.37Å; Y224-I284 HydrophobicContact CD1-CD1 3.88Å; Y224-I284 HydrophobicContact CD1-CG2 4.3Å; Y224-I284 HydrophobicContact CD2-CD1 3.12Å; Y224-I284 HydrophobicContact CE1-CD1 4.34Å; Y224-I284 HydrophobicContact CE2-CD1 3.67Å; Y224-I284 HydrophobicContact CG-CD1 3.24Å; Y224-I284 HydrophobicContact CG-CG2 4.4Å; Y224-L309 PolarHBondContact N-O 3.39Å; Y224-L309 WeakPolarHBondContact O-CB 3.4Å; Y224-L309 PolarHBondContact O-N 3.49Å; Y224-V311 HydrophobicContact CD2-CG2 4.24Å; Y224-V311 HydrophobicContact CE2-CG2 3.91Å
225	K	92.3	Very high	92.2	Very high	22 Å²	22	18 Å²	18	10%	0.096	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.8	-179.3	-169.9	166.4	-164.3	83.8	0	109.6	F227 I235 S236 R238 D308	K225-F227 HydrophobicContact CB-CE2 4.4Å; K225-F227 HydrophobicContact CB-CZ 4.31Å; K225-F227 HydrophobicContact CD-CE1 3.64Å; K225-F227 HydrophobicContact CD-CE2 4.28Å; K225-F227 HydrophobicContact CD-CZ 3.4Å; K225-F227 VanDerWaalsContact CD-CZ 3.4Å; K225-F227 VanDerWaalsContact CE-CE1 3.47Å; K225-F227 HydrophobicContact CG-CD1 4.36Å; K225-F227 HydrophobicContact CG-CE1 3.7Å; K225-F227 HydrophobicContact CG-CE2 3.98Å; K225-F227 HydrophobicContact CG-CZ 3.52Å; K225-I235 CarbonylContact O-C 3.5Å; K225-I235 WeakPolarHBondContact O-CA 3.35Å; K225-S236 PolarHBondContact N-O 3.1Å; K225-S236 PolarHBondContact O-N 2.85Å; K225-R238 HydrophobicContact CB-CG 4.18Å; K225-D308 WeakPolarHBondContact CG-OD1 3.24Å; K225-D308 IonicContact NZ-OD1 3.59Å; K225-D308 PolarHBondContact NZ-OD1 3.04Å; K225-D308 IonicContact NZ-OD2 2.77Å; K225-D308 PolarHBondContact NZ-OD2 3.32Å
226	M	93.4	Very high	91.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.3	171.8	-176	177.4	58	0	0	109.8	Y224 T233 F234 I235 P289 A293 G306 M307 L309	Y224-M226 PolarHBondContact O-N 2.85Å; M226-T233 HydrophobicContact CG-CG2 3.56Å; M226-T233 HydrophobicContact SD-CG2 3.58Å; M226-T233 VanDerWaalsContact SD-CG2 3.58Å; M226-F234 CarbonylContact C-O 3.59Å; M226-F234 VanDerWaalsContact CA-O 3.25Å; M226-F234 WeakPolarHBondContact CA-O 3.13Å; M226-I235 HydrophobicContact CB-CD1 4.24Å; M226-P289 HydrophobicContact SD-CB 3.6Å; M226-A293 HydrophobicContact CE-CB 4.11Å; M226-A293 HydrophobicContact SD-CB 4.13Å; M226-G306 CarbonylContact O-C 3.48Å; M226-G306 WeakPolarHBondContact O-CA 3.36Å; M226-M307 HydrophobicContact CB-CB 4.43Å; M226-M307 HydrophobicContact CE-CB 3.73Å; M226-M307 HydrophobicContact CE-CG 3.73Å; M226-M307 HydrophobicContact CE-SD 3.25Å; M226-M307 WeakPolarHBondContact CE-SD 3.46Å; M226-M307 PolarHBondContact N-O 3.34Å; M226-M307 PolarHBondContact O-N 2.8Å; M226-L309 HydrophobicContact CB-CD1 4.13Å; M226-L309 HydrophobicContact CE-CD1 4.42Å; M226-L309 HydrophobicContact SD-CD1 4.49Å
227	F	93.4	Very high	91.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.9	177	-58.5	-75.3	0	0	0	109.6	K225 T233 F234 P327 Y329	K225-F227 HydrophobicContact CB-CE2 4.4Å; K225-F227 HydrophobicContact CB-CZ 4.31Å; K225-F227 HydrophobicContact CD-CE1 3.64Å; K225-F227 HydrophobicContact CD-CE2 4.28Å; K225-F227 HydrophobicContact CD-CZ 3.4Å; K225-F227 VanDerWaalsContact CD-CZ 3.4Å; K225-F227 VanDerWaalsContact CE-CE1 3.47Å; K225-F227 HydrophobicContact CG-CD1 4.36Å; K225-F227 HydrophobicContact CG-CE1 3.7Å; K225-F227 HydrophobicContact CG-CE2 3.98Å; K225-F227 HydrophobicContact CG-CZ 3.52Å; F227-T233 CarbonylContact O-C 3.4Å; F227-T233 WeakPolarHBondContact O-CA 3.47Å; F227-F234 HydrophobicContact CB-CB 4.41Å; F227-F234 PolarHBondContact N-O 3.36Å; F227-F234 PolarHBondContact O-N 2.7Å; F227-P327 HydrophobicContact CD1-CB 4.39Å; F227-P327 HydrophobicContact CD1-CG 3.74Å; F227-P327 HydrophobicContact CE1-CB 4.24Å; F227-P327 HydrophobicContact CE1-CG 4.08Å; F227-Y329 HydrophobicContact CB-CD1 3.75Å; F227-Y329 HydrophobicContact CB-CE1 3.81Å; F227-Y329 AromaticContact CD1-CD1 3.84Å; F227-Y329 HydrophobicContact CD1-CD1 3.84Å; F227-Y329 HydrophobicContact CD1-CE1 4.21Å; F227-Y329 HydrophobicContact CD1-CG 4.45Å; F227-Y329 AromaticContact CG-CD1 3.98Å; F227-Y329 HydrophobicContact CG-CD1 3.98Å; F227-Y329 HydrophobicContact CG-CE1 4.39Å
228	A	94.8	Very high	91.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	172.7	0	0	0	0	0	110.7	D232 F305 Y329	A228-D232 WeakPolarHBondContact CA-O 3.35Å; A228-F305 HydrophobicContact CB-CD1 3.92Å; A228-F305 HydrophobicContact CB-CD2 4.09Å; A228-F305 HydrophobicContact CB-CE1 3.44Å; A228-F305 VanDerWaalsContact CB-CE1 3.44Å; A228-F305 HydrophobicContact CB-CE2 3.62Å; A228-F305 HydrophobicContact CB-CG 4.22Å; A228-F305 HydrophobicContact CB-CZ 3.27Å; A228-F305 PolarHBondContact N-O 3.1Å; A228-F305 PolarHBondContact O-N 3.07Å; A228-Y329 WeakPolarHBondContact O-CE1 3.43Å; A228-Y329 PolarHBondContact O-OH 3.14Å
229	I	96.1	Very high	90.7	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	90.2	167.5	-54.4	175.3	0	0	0	106.5	D231 D232 L304 Y329 L332 F335 L338 F342	I229-D231 PolarHBondContact O-N 2.74Å; I229-D232 PolarHBondContact N-O 3.19Å; I229-D232 PolarHBondContact O-N 2.84Å; I229-D232 VanDerWaalsContact O-N 3.14Å; I229-L304 HydrophobicContact CB-CD2 4.42Å; I229-L304 HydrophobicContact CG2-CD2 3.85Å; I229-Y329 HydrophobicContact CD1-CD1 4.1Å; I229-Y329 HydrophobicContact CD1-CE1 4.02Å; I229-Y329 HydrophobicContact CG1-CD1 4.11Å; I229-Y329 HydrophobicContact CG1-CE1 3.52Å; I229-L332 HydrophobicContact CD1-CD2 3.64Å; I229-F335 HydrophobicContact CD1-CD2 3.63Å; I229-F335 HydrophobicContact CD1-CE2 3.72Å; I229-F335 HydrophobicContact CG1-CE2 4.42Å; I229-L338 HydrophobicContact CD1-CB 3.99Å; I229-F342 HydrophobicContact CG2-CB 3.69Å; I229-F342 HydrophobicContact CG2-CD1 4.07Å; I229-F342 HydrophobicContact CG2-CG 3.92Å
230	G	93.5	Very high	90.6	Very high	6 Å²	6	11.6 Å²	11.6	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-114.3	-171.9	0	0	0	0	0	111.9	R297 S303	G230-R297 PolarHBondContact O-NH1 3.3Å; G230-S303 PolarHBondContact N-O 3.28Å
231	D	89.4	Confident	90.5	Very high	64 Å²	64	11.4 Å²	11.4	34%	0.342	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.1	178.5	-61.8	-41.5	0	0	0	111.6	I229 R297 R349	I229-D231 PolarHBondContact O-N 2.74Å; D231-R297 IonicContact OD1-CZ 3.24Å; D231-R297 IonicContact OD1-NH1 3.17Å; D231-R297 PolarHBondContact OD1-NH1 3.15Å; D231-R349 IonicContact OD2-CZ 3.38Å; D231-R349 IonicContact OD2-NH1 2.66Å; D231-R349 PolarHBondContact OD2-NH1 2.8Å; D231-R349 VanDerWaalsContact OD2-NH1 3.09Å; D231-R349 IonicContact OD2-NH2 2.82Å; D231-R349 PolarHBondContact OD2-NH2 3.26Å
232	D	91.3	Very high	90.4	Very high	22 Å²	22	16.6 Å²	16.6	12%	0.118	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.4	-175	-62.9	-51.4	0	0	0	110.5	A228 I229 F234 R341 N425	A228-D232 WeakPolarHBondContact CA-O 3.35Å; I229-D232 PolarHBondContact N-O 3.19Å; I229-D232 PolarHBondContact O-N 2.84Å; I229-D232 VanDerWaalsContact O-N 3.14Å; D232-F234 HydrophobicContact CB-CE2 3.73Å; D232-F234 HydrophobicContact CB-CZ 3.96Å; D232-R341 IonicContact OD1-NH1 3.87Å; D232-R341 IonicContact OD1-NH2 2.7Å; D232-R341 IonicContact OD2-CZ 3.83Å; D232-R341 IonicContact OD2-NH1 3.14Å; D232-R341 PolarHBondContact OD2-NH1 3Å; D232-R341 IonicContact OD2-NH2 3.73Å; D232-R341 PolarHBondContact OD2-NH2 3.26Å; D232-N425 WeakPolarHBondContact CA-OD1 3.42Å
233	T	91.8	Very high	90.4	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.7	-178.2	-50.6	0	0	0	0	111.2	M226 F227 A293 L424 N425	M226-T233 HydrophobicContact CG-CG2 3.56Å; M226-T233 HydrophobicContact SD-CG2 3.58Å; M226-T233 VanDerWaalsContact SD-CG2 3.58Å; F227-T233 CarbonylContact O-C 3.4Å; F227-T233 WeakPolarHBondContact O-CA 3.47Å; T233-A293 HydrophobicContact CG2-CB 4.33Å; T233-L424 HydrophobicContact CG2-CD1 4.02Å; T233-L424 PolarHBondContact O-N 2.99Å; T233-N425 PolarHBondContact N-OD1 3.12Å; T233-N425 PolarHBondContact O-ND2 3.16Å
234	F	91.6	Very high	90.3	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	-179.6	-51.4	-90.8	0	0	0	110	M226 F227 D232 L332 L338 Y399 I422	M226-F234 CarbonylContact C-O 3.59Å; M226-F234 VanDerWaalsContact CA-O 3.25Å; M226-F234 WeakPolarHBondContact CA-O 3.13Å; F227-F234 HydrophobicContact CB-CB 4.41Å; F227-F234 PolarHBondContact N-O 3.36Å; F227-F234 PolarHBondContact O-N 2.7Å; D232-F234 HydrophobicContact CB-CE2 3.73Å; D232-F234 HydrophobicContact CB-CZ 3.96Å; F234-L332 HydrophobicContact CB-CD1 4.18Å; F234-L332 HydrophobicContact CD1-CD1 3.35Å; F234-L332 HydrophobicContact CD2-CD1 3.99Å; F234-L332 HydrophobicContact CD2-CD2 3.9Å; F234-L332 HydrophobicContact CE1-CD1 3.61Å; F234-L332 HydrophobicContact CE2-CD1 4.21Å; F234-L332 HydrophobicContact CE2-CD2 3.92Å; F234-L332 HydrophobicContact CG-CD1 3.55Å; F234-L332 HydrophobicContact CG-CD2 4.31Å; F234-L332 HydrophobicContact CZ-CD1 4.04Å; F234-L332 HydrophobicContact CZ-CD2 4.33Å; F234-L338 HydrophobicContact CE1-CD1 4.34Å; F234-L338 HydrophobicContact CE2-CD1 4.21Å; F234-L338 HydrophobicContact CZ-CD1 3.71Å; F234-L338 HydrophobicContact CZ-CD2 4.43Å; F234-Y399 HydrophobicContact CD1-CE2 4.35Å; F234-Y399 HydrophobicContact CE1-CE2 4.18Å; F234-I422 CarbonylContact C-O 3.48Å; F234-I422 VanDerWaalsContact CA-O 3.27Å; F234-I422 WeakPolarHBondContact CA-O 3.42Å
235	I	90.9	Very high	90	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.6	178.5	-165.6	149.4	0	0	0	111.5	K225 M226 L280 I284 L309 C421 I422 L424	K225-I235 CarbonylContact O-C 3.5Å; K225-I235 WeakPolarHBondContact O-CA 3.35Å; M226-I235 HydrophobicContact CB-CD1 4.24Å; I235-L280 HydrophobicContact CG2-CD1 3.51Å; I235-L280 HydrophobicContact CG2-CD2 4.43Å; I235-I284 HydrophobicContact CD1-CG2 3.21Å; I235-I284 HydrophobicContact CG1-CG2 4.23Å; I235-L309 HydrophobicContact CD1-CD1 4.26Å; I235-C421 CarbonylContact O-C 3.54Å; I235-C421 WeakPolarHBondContact O-CA 3.23Å; I235-I422 HydrophobicContact CG2-CB 3.87Å; I235-I422 HydrophobicContact CG2-CG2 4.12Å; I235-I422 PolarHBondContact N-O 2.78Å; I235-I422 PolarHBondContact O-N 3Å; I235-L424 HydrophobicContact CB-CD1 4.32Å; I235-L424 HydrophobicContact CG2-CD1 4.21Å; I235-L424 HydrophobicContact CG2-CD2 3.99Å; I235-L424 HydrophobicContact CG2-CG 4.11Å
236	S	87.8	Confident	89.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.6	175.8	66.5	0	0	0	0	111.3	K225 S331	K225-S236 PolarHBondContact N-O 3.1Å; K225-S236 PolarHBondContact O-N 2.85Å; S236-S331 WeakPolarHBondContact CB-OG 3.4Å; S236-S331 WeakPolarHBondContact OG-CB 3.48Å; S236-S331 PolarHBondContact OG-OG 2.91Å
237	S	87.7	Confident	89.4	Confident	25 Å²	25	25.7 Å²	25.7	18%	0.175	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	146	176.6	-52.3	0	0	0	0	111.8	L223 Q419	L223-S237 CarbonylContact O-C 3.51Å; L223-S237 WeakPolarHBondContact O-CA 3.23Å; S237-Q419 PolarHBondContact O-OE1 3.47Å
238	R	85.1	Confident	89	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.6	-178.4	-70.4	-69.3	-166.5	-109	-4.4	109.9	L223 K225 I262 F275 D330 S331	L223-R238 HydrophobicContact CB-CB 4.03Å; L223-R238 HydrophobicContact CD2-CB 4.09Å; L223-R238 HydrophobicContact CD2-CG 4.48Å; L223-R238 HydrophobicContact CG-CB 4.34Å; L223-R238 PolarHBondContact N-O 2.79Å; L223-R238 PolarHBondContact O-N 2.71Å; K225-R238 HydrophobicContact CB-CG 4.18Å; R238-I262 VanDerWaalsContact CZ-CD1 3.49Å; R238-I262 VanDerWaalsContact NH1-CD1 3.32Å; R238-I262 VanDerWaalsContact NH2-CD1 3.34Å; R238-F275 VanDerWaalsContact C-CE1 3.41Å; R238-F275 WeakPolarHBondContact O-CE1 3.16Å; R238-D330 IonicContact NH2-OD1 3.14Å; R238-D330 PolarHBondContact NH2-OD1 3.47Å; R238-D330 IonicContact NH2-OD2 3.42Å; R238-S331 PolarHBondContact NH1-OG 2.91Å; R238-S331 PolarHBondContact NH2-OG 3.35Å
239	P	84.7	Confident	88.4	Confident	11 Å²	11	38.5 Å²	38.5	7%	0.071	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	145.8	164.5	-17.5	31.2	0	0	0	110.1	S260 F275	P239-S260 VanDerWaalsContact O-CA 3.3Å; P239-S260 WeakPolarHBondContact O-CA 3.37Å; P239-F275 HydrophobicContact CB-CE2 4.41Å; P239-F275 HydrophobicContact CB-CZ 3.97Å; P239-F275 HydrophobicContact CG-CE2 3.83Å; P239-F275 HydrophobicContact CG-CZ 3.7Å
240	S	88.9	Confident	87.7	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.042	23%	0.228	C	C	.	.			trans	-138.8	179.2	175.1	-161.9	0	0	0	0	110.1	H219 G221 R242 T269	H219-S240 WeakPolarHBondContact NE2-CB 3.3Å; H219-S240 PolarHBondContact NE2-OG 2.86Å; G221-S240 PolarHBondContact O-N 2.96Å; S240-R242 PolarHBondContact O-N 2.78Å; S240-T269 WeakPolarHBondContact O-CG2 3Å
241	L	87.2	Confident	87.2	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.079	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-56.8	129.8	171.8	-66.5	175.8	0	0	0	109.6	F216 H219 G221 F244 F254 I259 L268	F216-L241 HydrophobicContact CD2-CD1 4.48Å; F216-L241 HydrophobicContact CE2-CB 3.96Å; F216-L241 HydrophobicContact CE2-CD1 3.87Å; F216-L241 HydrophobicContact CZ-CB 4.33Å; H219-L241 PolarHBondContact CE1-O 3.1Å; H219-L241 PolarHBondContact NE2-O 3.01Å; G221-L241 WeakPolarHBondContact CA-O 3.48Å; L241-F244 HydrophobicContact CB-CE2 4.28Å; L241-F254 HydrophobicContact CD1-CE1 4.32Å; L241-F254 HydrophobicContact CD1-CE2 4.22Å; L241-F254 HydrophobicContact CD1-CZ 3.72Å; L241-F254 HydrophobicContact CD2-CE2 4.3Å; L241-F254 HydrophobicContact CD2-CZ 4.34Å; L241-I259 HydrophobicContact CD2-CD1 4.13Å; L241-I259 HydrophobicContact CD2-CG1 4.13Å; L241-I259 HydrophobicContact CD2-CG2 3.75Å; L241-I259 HydrophobicContact CG-CG2 3.93Å; L241-L268 HydrophobicContact CD2-CB 3.87Å; L241-L268 HydrophobicContact CD2-CD1 4.34Å
242	R	87	Confident	86.9	Confident	111 Å²	111	42.8 Å²	42.8	42%	0.419	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-58.7	167.4	169.4	72.8	178.7	-162.9	172.8	4.8	110.4	F216 S240 F244 L268 Q271	F216-R242 WeakPolarHBondContact CZ-O 3.37Å; S240-R242 PolarHBondContact O-N 2.78Å; R242-F244 HydrophobicContact CG-CD2 4.39Å; R242-F244 HydrophobicContact CG-CE1 4.1Å; R242-F244 HydrophobicContact CG-CE2 3.78Å; R242-F244 HydrophobicContact CG-CZ 3.62Å; R242-F244 WeakPolarHBondContact O-CD2 3.26Å; R242-F244 WeakPolarHBondContact O-CE2 3.37Å; R242-L268 WeakPolarHBondContact CG-O 3.5Å; R242-L268 PolarHBondContact N-O 2.79Å; R242-Q271 HydrophobicContact CB-CB 4.12Å
243	D	89.2	Confident	86.5	Confident	35 Å²	35	44.9 Å²	44.9	19%	0.187	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.3	139.7	175.4	-62.3	-31	0	0	0	112.3	R218 H219 G220 Q313	R218-D243 WeakPolarHBondContact CA-OD1 3.42Å; R218-D243 HydrophobicContact CB-CB 4.26Å; R218-D243 WeakPolarHBondContact CB-OD1 3.43Å; R218-D243 HydrophobicContact CG-CB 4.24Å; H219-D243 PolarHBondContact N-OD1 3.4Å; G220-D243 PolarHBondContact N-OD1 2.98Å; D243-Q313 PolarHBondContact OD2-NE2 2.91Å; D243-Q313 PolarHBondContact OD2-OE1 2.86Å
244	F	87.4	Confident	86	Confident	18 Å²	18	45.7 Å²	45.7	8%	0.079	25%	0.25	C	S	.	.			trans	-127.1	152.2	175.4	-66	-78.5	0	0	0	109.7	P171 L197 F199 F216 L241 R242 L268	P171-F244 HydrophobicContact CG-CB 4.14Å; L197-F244 HydrophobicContact CD2-CB 4.34Å; L197-F244 HydrophobicContact CD2-CD1 4.18Å; L197-F244 HydrophobicContact CD2-CD2 3.41Å; L197-F244 VanDerWaalsContact CD2-CD2 3.41Å; L197-F244 HydrophobicContact CD2-CE1 4.31Å; L197-F244 HydrophobicContact CD2-CE2 3.61Å; L197-F244 HydrophobicContact CD2-CG 3.72Å; L197-F244 HydrophobicContact CD2-CZ 4.05Å; F199-F244 HydrophobicContact CD1-CB 4.45Å; F199-F244 HydrophobicContact CE1-CB 3.8Å; F199-F244 AromaticContact CE1-CD1 3.52Å; F199-F244 HydrophobicContact CE1-CD1 3.52Å; F199-F244 HydrophobicContact CE1-CE1 4.26Å; F199-F244 AromaticContact CE1-CG 3.78Å; F199-F244 HydrophobicContact CE1-CG 3.78Å; F199-F244 AromaticContact CZ-CD1 3.94Å; F199-F244 HydrophobicContact CZ-CD1 3.94Å; F199-F244 HydrophobicContact CZ-CE1 4.23Å; F199-F244 HydrophobicContact CZ-CG 4.38Å; F216-F244 HydrophobicContact CE1-CB 4.18Å; F216-F244 HydrophobicContact CE1-CD2 4.25Å; F216-F244 HydrophobicContact CE2-CD2 4.11Å; F216-F244 AromaticContact CZ-CD2 3.73Å; F216-F244 HydrophobicContact CZ-CD2 3.73Å; L241-F244 HydrophobicContact CB-CE2 4.28Å; R242-F244 HydrophobicContact CG-CD2 4.39Å; R242-F244 HydrophobicContact CG-CE1 4.1Å; R242-F244 HydrophobicContact CG-CE2 3.78Å; R242-F244 HydrophobicContact CG-CZ 3.62Å; R242-F244 WeakPolarHBondContact O-CD2 3.26Å; R242-F244 WeakPolarHBondContact O-CE2 3.37Å; F244-L268 HydrophobicContact CZ-CD2 3.85Å
245	T	86.8	Confident	85.2	Confident	78 Å²	78	48.2 Å²	48.2	48%	0.479	26%	0.262	S	S	.	.			trans	-118.5	160.1	173.7	56.2	0	0	0	0	109.5
246	E	88.9	Confident	84.5	Confident	115 Å²	115	49.5 Å²	49.5	54%	0.537	27%	0.271	S	S	.	.			trans	-55.1	146.5	166.6	176.6	169.3	-156.5	0	0	110.2	F170 F199	F170-E246 HydrophobicContact CB-CB 4.07Å; F170-E246 HydrophobicContact CB-CG 3.89Å; F199-E246 WeakPolarHBondContact O-CA 3.45Å; F199-E246 WeakPolarHBondContact O-CG 3.37Å
247	G	84.8	Confident	83.7	Confident	24 Å²	24	52.4 Å²	52.4	25%	0.247	28%	0.284	C	S	.	.	S	Bend	trans	168.8	172	177.9	0	0	0	0	0	112.3	F199 H202 Y249	F199-G247 CarbonylContact C-O 3.51Å; F199-G247 WeakPolarHBondContact CB-O 3.44Å; F199-G247 PolarHBondContact O-N 3.28Å; F199-G247 VanDerWaalsContact O-N 3.07Å; H202-G247 PolarHBondContact CE1-O 2.71Å; H202-G247 VanDerWaalsContact CE1-O 3.32Å; G247-Y249 PolarHBondContact O-N 3.48Å
248	D	85	Confident	82.8	Confident	143 Å²	143	56.5 Å²	56.5	77%	0.765	30%	0.299	S	S	*	.	S	Bend	trans	-81.8	57.3	-179.8	-162.9	13.8	0	0	0	111.5	H202	H202-D248 IonicContact CD2-OD1 3.47Å; H202-D248 PolarHBondContact CD2-OD1 3.25Å; H202-D248 IonicContact CE1-OD1 2.69Å; H202-D248 IonicContact CG-OD1 3.69Å; H202-D248 IonicContact ND1-OD1 3.74Å; H202-D248 IonicContact NE2-OD1 3.5Å; H202-D248 PolarHBondContact NE2-OD1 2.97Å
249	Y	81.9	Confident	82.1	Confident	126 Å²	126	56.7 Å²	56.7	49%	0.494	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-101	145.1	177.3	-56.4	-68.5	0	0	0	110.5	F199 H202 G247	F199-Y249 HydrophobicContact CB-CD2 4.23Å; F199-Y249 AromaticContact CD1-CD2 3.99Å; F199-Y249 HydrophobicContact CD1-CD2 3.99Å; F199-Y249 HydrophobicContact CG-CD2 4.16Å; H202-Y249 PolarHBondContact NE2-O 2.92Å; G247-Y249 PolarHBondContact O-N 3.48Å
250	P	81.2	Confident	81.2	Confident	100 Å²	100	57.8 Å²	57.8	65%	0.649	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.3	146.9	174.9	26.9	-34.6	0	0	0	111.2	F199 V252	F199-P250 WeakPolarHBondContact CE2-O 3.26Å; P250-V252 PolarHBondContact O-N 2.8Å
251	T	82.9	Confident	80.1	Confident	26 Å²	26	60.8 Å²	60.8	16%	0.16	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-55.2	130.1	172.7	-56.8	0	0	0	0	110.2	Q196 L197 V198 G203 D206	Q196-T251 HydrophobicContact CB-CG2 4.05Å; L197-T251 WeakPolarHBondContact O-CA 3.29Å; V198-T251 HydrophobicContact CG2-CG2 4.11Å; G203-T251 WeakPolarHBondContact CA-OG1 3.49Å; D206-T251 HydrophobicContact CB-CG2 4.21Å; D206-T251 WeakPolarHBondContact OD2-CB 3.28Å; D206-T251 PolarHBondContact OD2-OG1 3.48Å
252	V	82.5	Confident	78.6	Confident	34 Å²	34	60.5 Å²	60.5	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.6	-178.8	171.3	0	0	0	0	109.6	Q196 L197 F199 P250 F254 L268	Q196-V252 CarbonylContact C-O 3.59Å; Q196-V252 WeakPolarHBondContact CA-O 3.36Å; L197-V252 HydrophobicContact CB-CB 4.33Å; L197-V252 PolarHBondContact N-O 3.37Å; L197-V252 PolarHBondContact O-N 3.43Å; F199-V252 HydrophobicContact CE2-CB 4.18Å; F199-V252 HydrophobicContact CE2-CG2 3.76Å; F199-V252 HydrophobicContact CZ-CG2 4.13Å; P250-V252 PolarHBondContact O-N 2.8Å; V252-F254 HydrophobicContact CG1-CD1 4.46Å; V252-L268 HydrophobicContact CG1-CD1 3.9Å; V252-L268 HydrophobicContact CG1-CD2 3.84Å
253	A	83.1	Confident	76.9	Confident	67 Å²	67	56.6 Å²	56.6	55%	0.554	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.6	169.5	0	0	0	0	0	110.8	M195 Q196	M195-A253 CarbonylContact O-C 3.54Å; M195-A253 WeakPolarHBondContact O-CA 3.37Å; Q196-A253 HydrophobicContact CG-CB 4.49Å
254	F	81	Confident	75.4	Confident	20 Å²	20	56.1 Å²	56.1	9%	0.088	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.4	177.2	66	-84.1	0	0	0	111.6	V173 M195 L197 L241 V252 I259 L268	V173-F254 HydrophobicContact CG1-CZ 4.26Å; M195-F254 HydrophobicContact CB-CD1 4.3Å; M195-F254 HydrophobicContact CB-CD2 4.24Å; M195-F254 HydrophobicContact CB-CE1 3.77Å; M195-F254 HydrophobicContact CB-CE2 3.72Å; M195-F254 HydrophobicContact CB-CZ 3.45Å; M195-F254 VanDerWaalsContact CB-CZ 3.45Å; M195-F254 HydrophobicContact CG-CE2 4.15Å; M195-F254 HydrophobicContact CG-CZ 4.21Å; M195-F254 PolarHBondContact N-O 3.13Å; M195-F254 PolarHBondContact O-N 3.34Å; M195-F254 HydrophobicContact SD-CE2 3.62Å; M195-F254 HydrophobicContact SD-CZ 3.81Å; L197-F254 HydrophobicContact CB-CE1 4.24Å; L241-F254 HydrophobicContact CD1-CE1 4.32Å; L241-F254 HydrophobicContact CD1-CE2 4.22Å; L241-F254 HydrophobicContact CD1-CZ 3.72Å; L241-F254 HydrophobicContact CD2-CE2 4.3Å; L241-F254 HydrophobicContact CD2-CZ 4.34Å; V252-F254 HydrophobicContact CG1-CD1 4.46Å; F254-I259 HydrophobicContact CD2-CD1 4.16Å; F254-I259 HydrophobicContact CD2-CG1 3.56Å; F254-I259 HydrophobicContact CE2-CG1 4.02Å; F254-I259 HydrophobicContact CG-CG1 4.45Å; F254-L268 HydrophobicContact CB-CD1 3.69Å; F254-L268 HydrophobicContact CD1-CD1 4.29Å; F254-L268 HydrophobicContact CG-CD1 4.02Å
255	E	74.7	Confident	73.9	Confident	56 Å²	56	62.2 Å²	62.2	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.3	172.8	-69.8	158.6	-136.4	0	0	109.4	H193 R194 H257 K258	H193-E255 CarbonylContact O-C 3.44Å; H193-E255 VanDerWaalsContact O-CA 3.3Å; H193-E255 WeakPolarHBondContact O-CA 3.22Å; R194-E255 HydrophobicContact CG-CG 4.46Å; E255-H257 PolarHBondContact O-N 3.36Å; E255-H257 VanDerWaalsContact O-N 3.08Å; E255-H257 IonicContact OE2-CE1 3.03Å; E255-H257 PolarHBondContact OE2-CE1 3.39Å; E255-H257 IonicContact OE2-ND1 2.83Å; E255-H257 IonicContact OE2-NE2 2.96Å; E255-H257 PolarHBondContact OE2-NE2 3Å; E255-H257 VanDerWaalsContact OE2-NE2 3.14Å; E255-K258 HydrophobicContact CB-CD 4.24Å; E255-K258 HydrophobicContact CB-CG 4.42Å; E255-K258 WeakPolarHBondContact O-CB 3.37Å; E255-K258 PolarHBondContact O-N 2.79Å; E255-K258 IonicContact OE1-NZ 2.78Å; E255-K258 PolarHBondContact OE1-NZ 2.92Å; E255-K258 WeakPolarHBondContact OE2-CE 3.42Å; E255-K258 IonicContact OE2-NZ 3.64Å; E255-K258 PolarHBondContact OE2-NZ 2.97Å
256	S	76	Confident	72.7	Confident	27 Å²	27	59.9 Å²	59.9	19%	0.189	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.8	-173.9	69.1	0	0	0	0	113.6	H193 K258 I259 S260	H193-S256 PolarHBondContact ND1-OG 2.89Å; H193-S256 PolarHBondContact O-N 3.05Å; S256-K258 PolarHBondContact O-N 3.13Å; S256-I259 PolarHBondContact O-N 3.43Å; S256-S260 PolarHBondContact O-N 3.46Å
257	H	72	Confident	71.8	Confident	61 Å²	61	60.2 Å²	60.2	28%	0.282	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-71.3	-9	-179.3	75.1	-108.3	0	0	0	114.2	E255 K261	E255-H257 PolarHBondContact O-N 3.36Å; E255-H257 VanDerWaalsContact O-N 3.08Å; E255-H257 IonicContact OE2-CE1 3.03Å; E255-H257 PolarHBondContact OE2-CE1 3.39Å; E255-H257 IonicContact OE2-ND1 2.83Å; E255-H257 IonicContact OE2-NE2 2.96Å; E255-H257 PolarHBondContact OE2-NE2 3Å; E255-H257 VanDerWaalsContact OE2-NE2 3.14Å; H257-K261 WeakPolarHBondContact O-CD 3.06Å; H257-K261 WeakPolarHBondContact O-CE 3.43Å; H257-K261 WeakPolarHBondContact O-CG 3.22Å; H257-K261 PolarHBondContact O-NZ 2.89Å
258	K	68.8	Low	71	Confident	112 Å²	112	59.4 Å²	59.4	49%	0.487	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-95.7	-7.7	172.4	-66.2	175.6	177.9	153.6	0	112.6	E255 S256 C264	E255-K258 HydrophobicContact CB-CD 4.24Å; E255-K258 HydrophobicContact CB-CG 4.42Å; E255-K258 WeakPolarHBondContact O-CB 3.37Å; E255-K258 PolarHBondContact O-N 2.79Å; E255-K258 IonicContact OE1-NZ 2.78Å; E255-K258 PolarHBondContact OE1-NZ 2.92Å; E255-K258 WeakPolarHBondContact OE2-CE 3.42Å; E255-K258 IonicContact OE2-NZ 3.64Å; E255-K258 PolarHBondContact OE2-NZ 2.97Å; S256-K258 PolarHBondContact O-N 3.13Å; K258-C264 PolarHBondContact O-SG 2.97Å
259	I	70	Confident	70.2	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-58.3	-177	-54.1	-55.1	0	0	0	110.9	L241 F254 S256 C264 L268 T269	L241-I259 HydrophobicContact CD2-CD1 4.13Å; L241-I259 HydrophobicContact CD2-CG1 4.13Å; L241-I259 HydrophobicContact CD2-CG2 3.75Å; L241-I259 HydrophobicContact CG-CG2 3.93Å; F254-I259 HydrophobicContact CD2-CD1 4.16Å; F254-I259 HydrophobicContact CD2-CG1 3.56Å; F254-I259 HydrophobicContact CE2-CG1 4.02Å; F254-I259 HydrophobicContact CG-CG1 4.45Å; S256-I259 PolarHBondContact O-N 3.43Å; I259-C264 VanDerWaalsContact O-CB 3.27Å; I259-C264 WeakPolarHBondContact O-CB 3.47Å; I259-L268 HydrophobicContact CD1-CB 4.02Å; I259-L268 HydrophobicContact CD1-CD1 3.92Å; I259-T269 HydrophobicContact CB-CG2 4.44Å; I259-T269 HydrophobicContact CD1-CG2 4.34Å; I259-T269 HydrophobicContact CG2-CG2 3.7Å
260	S	65.2	Low	69.2	Low	34 Å²	34	54.5 Å²	54.5	24%	0.238	30%	0.298	C	S	.	.	S	Bend	trans	-105.5	25.6	-163	-49	0	0	0	0	115.7	P239 S256	P239-S260 VanDerWaalsContact O-CA 3.3Å; P239-S260 WeakPolarHBondContact O-CA 3.37Å; S256-S260 PolarHBondContact O-N 3.46Å
261	K	66.3	Low	68.3	Low	69 Å²	69	53.4 Å²	53.4	30%	0.3	28%	0.284	S	S	.	.	S	Bend	trans	-93.1	159.7	172	-66.6	-178.1	-176.6	155.6	0	111.9	H257 G263 C264 Y410	H257-K261 WeakPolarHBondContact O-CD 3.06Å; H257-K261 WeakPolarHBondContact O-CE 3.43Å; H257-K261 WeakPolarHBondContact O-CG 3.22Å; H257-K261 PolarHBondContact O-NZ 2.89Å; K261-G263 PolarHBondContact O-N 3.29Å; K261-C264 WeakPolarHBondContact O-CB 3.33Å; K261-C264 PolarHBondContact O-N 3.47Å; K261-C264 VanDerWaalsContact O-N 3.14Å; K261-Y410 HydrophobicContact CD-CD1 4.41Å; K261-Y410 HydrophobicContact CD-CE1 4.06Å
262	I	56	Low	66.9	Low	10 Å²	10	62 Å²	62	5%	0.051	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	122.5	168.2	-73.4	171	0	0	0	110.1	R238 C264 D330 L406 I412 F416	R238-I262 VanDerWaalsContact CZ-CD1 3.49Å; R238-I262 VanDerWaalsContact NH1-CD1 3.32Å; R238-I262 VanDerWaalsContact NH2-CD1 3.34Å; I262-C264 VanDerWaalsContact C-N 3.32Å; I262-C264 PolarHBondContact O-N 3.18Å; I262-D330 HydrophobicContact CD1-CB 4.31Å; I262-L406 HydrophobicContact CD1-CD1 3.85Å; I262-L406 HydrophobicContact CD1-CD2 3.42Å; I262-L406 VanDerWaalsContact CD1-CD2 3.42Å; I262-L406 HydrophobicContact CD1-CG 4.31Å; I262-L406 HydrophobicContact CG2-CD1 4.47Å; I262-I412 HydrophobicContact CG2-CD1 3.41Å; I262-I412 VanDerWaalsContact CG2-CD1 3.41Å; I262-I412 HydrophobicContact CG2-CG1 4.28Å; I262-F416 HydrophobicContact CB-CE2 4.46Å; I262-F416 HydrophobicContact CB-CZ 4.31Å; I262-F416 HydrophobicContact CG1-CZ 4.42Å; I262-F416 HydrophobicContact CG2-CD1 4.36Å; I262-F416 HydrophobicContact CG2-CD2 4.06Å; I262-F416 HydrophobicContact CG2-CE1 3.78Å; I262-F416 HydrophobicContact CG2-CE2 3.48Å; I262-F416 VanDerWaalsContact CG2-CE2 3.48Å; I262-F416 HydrophobicContact CG2-CG 4.49Å; I262-F416 HydrophobicContact CG2-CZ 3.3Å
263	G	51.1	Low	65.7	Low	29 Å²	29	61.9 Å²	61.9	30%	0.299	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	5.9	175.5	0	0	0	0	0	115.8	K261 I265	K261-G263 PolarHBondContact O-N 3.29Å; G263-I265 PolarHBondContact O-N 3.45Å
264	C	57.3	Low	64.5	Low	24 Å²	24	64.5 Å²	64.5	16%	0.162	33%	0.326	C	S	.	.			trans	-67.7	122	177	-86.7	0	0	0	0	112.2	K258 I259 K261 I262	K258-C264 PolarHBondContact O-SG 2.97Å; I259-C264 VanDerWaalsContact O-CB 3.27Å; I259-C264 WeakPolarHBondContact O-CB 3.47Å; K261-C264 WeakPolarHBondContact O-CB 3.33Å; K261-C264 PolarHBondContact O-N 3.47Å; K261-C264 VanDerWaalsContact O-N 3.14Å; I262-C264 VanDerWaalsContact C-N 3.32Å; I262-C264 PolarHBondContact O-N 3.18Å
265	I	55.8	Low	63.6	Low	147 Å²	147	65.9 Å²	65.9	75%	0.754	33%	0.332	S	S	*	.			trans	-125.9	116.3	171.4	-55.5	174.1	0	0	0	107.4	G263	G263-I265 PolarHBondContact O-N 3.45Å
266	S	63.3	Low	62.5	Low	28 Å²	28	66 Å²	66	20%	0.196	34%	0.339	C	S	.	.			trans	-136.3	168.3	173.6	76.7	0	0	0	0	109.7	L268 T269 K270	S266-L268 PolarHBondContact O-N 2.78Å; S266-L268 VanDerWaalsContact O-N 3.12Å; S266-L268 PolarHBondContact OG-N 3.16Å; S266-T269 PolarHBondContact N-OG1 3.48Å; S266-T269 CarbonylContact O-C 3.49Å; S266-T269 PolarHBondContact O-N 3.39Å; S266-T269 PolarHBondContact O-OG1 2.71Å; S266-T269 PolarHBondContact OG-N 3.43Å; S266-K270 WeakPolarHBondContact O-CG 3.25Å; S266-K270 PolarHBondContact O-N 3.04Å
267	H	69.4	Low	61.5	Low	122 Å²	122	68.4 Å²	68.4	57%	0.565	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.6	174.9	62.8	-84.9	0	0	0	113	T269	H267-T269 VanDerWaalsContact C-N 3.35Å
268	L	67.8	Low	60.6	Low	8 Å²	8	70.3 Å²	70.3	4%	0.042	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.1	175.9	-56.3	177.2	0	0	0	113.3	L241 R242 F244 V252 F254 I259 S266	L241-L268 HydrophobicContact CD2-CB 3.87Å; L241-L268 HydrophobicContact CD2-CD1 4.34Å; R242-L268 WeakPolarHBondContact CG-O 3.5Å; R242-L268 PolarHBondContact N-O 2.79Å; F244-L268 HydrophobicContact CZ-CD2 3.85Å; V252-L268 HydrophobicContact CG1-CD1 3.9Å; V252-L268 HydrophobicContact CG1-CD2 3.84Å; F254-L268 HydrophobicContact CB-CD1 3.69Å; F254-L268 HydrophobicContact CD1-CD1 4.29Å; F254-L268 HydrophobicContact CG-CD1 4.02Å; I259-L268 HydrophobicContact CD1-CB 4.02Å; I259-L268 HydrophobicContact CD1-CD1 3.92Å; S266-L268 PolarHBondContact O-N 2.78Å; S266-L268 VanDerWaalsContact O-N 3.12Å; S266-L268 PolarHBondContact OG-N 3.16Å
269	T	67.1	Low	60.3	Low	14 Å²	14	68.5 Å²	68.5	9%	0.086	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	9.2	178.4	68.3	0	0	0	0	112.9	S240 I259 S266 H267 Q271	S240-T269 WeakPolarHBondContact O-CG2 3Å; I259-T269 HydrophobicContact CB-CG2 4.44Å; I259-T269 HydrophobicContact CD1-CG2 4.34Å; I259-T269 HydrophobicContact CG2-CG2 3.7Å; S266-T269 PolarHBondContact N-OG1 3.48Å; S266-T269 CarbonylContact O-C 3.49Å; S266-T269 PolarHBondContact O-N 3.39Å; S266-T269 PolarHBondContact O-OG1 2.71Å; S266-T269 PolarHBondContact OG-N 3.43Å; H267-T269 VanDerWaalsContact C-N 3.35Å; T269-Q271 PolarHBondContact O-N 2.7Å
270	K	62.6	Low	60.5	Low	152 Å²	152	69.2 Å²	69.2	66%	0.661	38%	0.378	S	S	*	.			trans	-70.2	30.7	-177.8	-91.7	-176.4	-167	-177.6	0	114.6	S266	S266-K270 WeakPolarHBondContact O-CG 3.25Å; S266-K270 PolarHBondContact O-N 3.04Å
271	Q	60.7	Low	61.1	Low	77 Å²	77	69.1 Å²	69.1	36%	0.36	38%	0.377	S	S	.	.	S	Bend	trans	-88.7	116.9	159.7	-165.5	160.3	-4.1	0	0	105.6	R242 T269 V273	R242-Q271 HydrophobicContact CB-CB 4.12Å; T269-Q271 PolarHBondContact O-N 2.7Å; Q271-V273 HydrophobicContact CB-CG2 4.5Å; Q271-V273 PolarHBondContact O-N 3.21Å
272	Q	53.8	Low	61.6	Low	206 Å²	206	69.9 Å²	69.9	96%	0.963	40%	0.396	S	S	*	.			trans	-67.3	88.9	178	-77	-169.8	3.8	0	0	109
273	V	58.7	Low	62.8	Low	31 Å²	31	73.3 Å²	73.3	19%	0.188	41%	0.412	C	S	.	.			trans	-84.7	118.5	174.3	177.9	0	0	0	0	108.2	I222 Q271 F275	I222-V273 HydrophobicContact CD1-CG1 3.48Å; I222-V273 VanDerWaalsContact CD1-CG1 3.48Å; I222-V273 HydrophobicContact CG1-CB 4.47Å; I222-V273 HydrophobicContact CG1-CG1 3.62Å; I222-V273 HydrophobicContact CG1-CG2 4Å; Q271-V273 HydrophobicContact CB-CG2 4.5Å; Q271-V273 PolarHBondContact O-N 3.21Å; V273-F275 HydrophobicContact CB-CD2 4.4Å; V273-F275 HydrophobicContact CB-CE1 4.22Å; V273-F275 HydrophobicContact CB-CE2 3.78Å; V273-F275 HydrophobicContact CB-CZ 3.64Å; V273-F275 HydrophobicContact CG1-CD1 3.94Å; V273-F275 HydrophobicContact CG1-CD2 4.27Å; V273-F275 HydrophobicContact CG1-CE1 3.6Å; V273-F275 HydrophobicContact CG1-CE2 3.95Å; V273-F275 HydrophobicContact CG1-CG 4.24Å; V273-F275 HydrophobicContact CG1-CZ 3.57Å; V273-F275 HydrophobicContact CG2-CZ 4.4Å; V273-F275 WeakPolarHBondContact O-CD2 3.01Å; V273-F275 PolarHBondContact O-N 2.89Å; V273-F275 VanDerWaalsContact O-N 3.08Å
274	N	57.8	Low	64.3	Low	122 Å²	122	71.9 Å²	71.9	65%	0.652	40%	0.397	S	S	*	.			trans	-76.7	89.4	169.2	-102.7	-22.7	0	0	0	109.5	S276 S277	N274-S276 PolarHBondContact O-N 2.95Å; N274-S277 PolarHBondContact O-N 3.14Å
275	F	61.8	Low	65	Low	49 Å²	49	73 Å²	73	22%	0.215	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.4	174.4	-64.2	-74.7	0	0	0	114.1	I222 R238 P239 V273 S277 Q419	I222-F275 HydrophobicContact CG2-CE1 4.29Å; R238-F275 VanDerWaalsContact C-CE1 3.41Å; R238-F275 WeakPolarHBondContact O-CE1 3.16Å; P239-F275 HydrophobicContact CB-CE2 4.41Å; P239-F275 HydrophobicContact CB-CZ 3.97Å; P239-F275 HydrophobicContact CG-CE2 3.83Å; P239-F275 HydrophobicContact CG-CZ 3.7Å; V273-F275 HydrophobicContact CB-CD2 4.4Å; V273-F275 HydrophobicContact CB-CE1 4.22Å; V273-F275 HydrophobicContact CB-CE2 3.78Å; V273-F275 HydrophobicContact CB-CZ 3.64Å; V273-F275 HydrophobicContact CG1-CD1 3.94Å; V273-F275 HydrophobicContact CG1-CD2 4.27Å; V273-F275 HydrophobicContact CG1-CE1 3.6Å; V273-F275 HydrophobicContact CG1-CE2 3.95Å; V273-F275 HydrophobicContact CG1-CG 4.24Å; V273-F275 HydrophobicContact CG1-CZ 3.57Å; V273-F275 HydrophobicContact CG2-CZ 4.4Å; V273-F275 WeakPolarHBondContact O-CD2 3.01Å; V273-F275 PolarHBondContact O-N 2.89Å; V273-F275 VanDerWaalsContact O-N 3.08Å; F275-S277 PolarHBondContact O-N 2.95Å; F275-Q419 HydrophobicContact CB-CG 4.24Å; F275-Q419 HydrophobicContact CG-CG 4.39Å
276	S	51.9	Low	65.7	Low	58 Å²	58	67.6 Å²	67.6	41%	0.406	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	9.3	179.8	46.9	0	0	0	0	113.8	N274	N274-S276 PolarHBondContact O-N 2.95Å
277	S	53.5	Low	66.5	Low	79 Å²	79	69 Å²	69	55%	0.552	39%	0.39	S	S	*	.			trans	-84.6	116.4	165.3	-171.8	0	0	0	0	108.3	N274 F275 A279	N274-S277 PolarHBondContact O-N 3.14Å; F275-S277 PolarHBondContact O-N 2.95Å; S277-A279 PolarHBondContact O-N 2.84Å; S277-A279 VanDerWaalsContact O-N 3.08Å
278	D	54.2	Low	67.3	Low	100 Å²	100	64.4 Å²	64.4	54%	0.535	37%	0.369	S	S	.	.			trans	-65	-7.5	178.7	-58.9	-22.9	0	0	0	113	L280 L420	D278-L280 PolarHBondContact O-N 2.86Å; D278-L420 WeakPolarHBondContact OD1-CD1 3.36Å
279	A	62.3	Low	68.2	Low	74 Å²	74	64 Å²	64	61%	0.612	37%	0.367	S	S	*	.			trans	-86.1	108.9	-178.4	0	0	0	0	0	111	S277	S277-A279 PolarHBondContact O-N 2.84Å; S277-A279 VanDerWaalsContact O-N 3.08Å
280	L	74	Confident	69.2	Low	21 Å²	21	66 Å²	66	11%	0.11	37%	0.373	C	S	.	.			trans	-65.5	148.9	157.7	-68.3	169.5	0	0	0	109.3	Y224 I235 D278 I284 C285 I422	Y224-L280 HydrophobicContact CD1-CD2 3.69Å; Y224-L280 HydrophobicContact CE1-CD2 3.79Å; I235-L280 HydrophobicContact CG2-CD1 3.51Å; I235-L280 HydrophobicContact CG2-CD2 4.43Å; D278-L280 PolarHBondContact O-N 2.86Å; L280-I284 HydrophobicContact CD1-CG2 4.35Å; L280-I284 HydrophobicContact CD2-CG2 4.25Å; L280-C285 HydrophobicContact CB-CB 4.36Å; L280-I422 HydrophobicContact CD1-CB 4.22Å; L280-I422 HydrophobicContact CD1-CD1 3.43Å; L280-I422 VanDerWaalsContact CD1-CD1 3.43Å; L280-I422 HydrophobicContact CD1-CG1 4.4Å; L280-I422 HydrophobicContact CD1-CG2 4.05Å; L280-I422 HydrophobicContact CD2-CD1 4.23Å; L280-I422 HydrophobicContact CG-CD1 3.53Å
281	P	77.9	Confident	70.5	Confident	31 Å²	31	59 Å²	59	20%	0.201	34%	0.344	C	S	.	.			trans	-52.8	145.8	166.6	-20.8	31.2	0	0	0	110.3	Y224 E283 I284 C285 V311	Y224-P281 VanDerWaalsContact CE1-CD 3.47Å; Y224-P281 HydrophobicContact CE1-CG 4.04Å; Y224-P281 HydrophobicContact CE2-CG 4.14Å; Y224-P281 VanDerWaalsContact CZ-CD 3.47Å; Y224-P281 VanDerWaalsContact CZ-CG 3.48Å; Y224-P281 VanDerWaalsContact OH-CD 3.25Å; Y224-P281 WeakPolarHBondContact OH-CD 3.17Å; Y224-P281 WeakPolarHBondContact OH-CG 3.37Å; P281-E283 WeakPolarHBondContact CB-OE2 2.97Å; P281-E283 PolarHBondContact O-N 2.77Å; P281-E283 VanDerWaalsContact O-N 3.1Å; P281-I284 PolarHBondContact O-N 2.72Å; P281-C285 WeakPolarHBondContact O-CB 3.24Å; P281-C285 PolarHBondContact O-N 2.63Å; P281-V311 HydrophobicContact CG-CG2 4.37Å
282	A	77.7	Confident	72	Confident	85 Å²	85	56 Å²	56	70%	0.702	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28	-178.2	0	0	0	0	0	112.1	I284	A282-I284 VanDerWaalsContact C-N 3.3Å; A282-I284 PolarHBondContact O-N 3.5Å
283	E	79.7	Confident	73.8	Confident	82 Å²	82	46.4 Å²	46.4	38%	0.383	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25	179.2	-53.6	85.9	173.6	0	0	112.7	P281 M288 G316 V318	P281-E283 WeakPolarHBondContact CB-OE2 2.97Å; P281-E283 PolarHBondContact O-N 2.77Å; P281-E283 VanDerWaalsContact O-N 3.1Å; E283-M288 WeakPolarHBondContact O-CE 3.47Å; E283-G316 WeakPolarHBondContact CG-O 3.35Å; E283-V318 HydrophobicContact CB-CG2 3.72Å
284	I	82.2	Confident	75.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-20	178.6	-68.2	-170	0	0	0	111.4	Y224 I235 L280 P281 A282 P289 V311 V318	Y224-I284 HydrophobicContact CD1-CD1 3.88Å; Y224-I284 HydrophobicContact CD1-CG2 4.3Å; Y224-I284 HydrophobicContact CD2-CD1 3.12Å; Y224-I284 HydrophobicContact CE1-CD1 4.34Å; Y224-I284 HydrophobicContact CE2-CD1 3.67Å; Y224-I284 HydrophobicContact CG-CD1 3.24Å; Y224-I284 HydrophobicContact CG-CG2 4.4Å; I235-I284 HydrophobicContact CD1-CG2 3.21Å; I235-I284 HydrophobicContact CG1-CG2 4.23Å; L280-I284 HydrophobicContact CD1-CG2 4.35Å; L280-I284 HydrophobicContact CD2-CG2 4.25Å; P281-I284 PolarHBondContact O-N 2.72Å; A282-I284 VanDerWaalsContact C-N 3.3Å; A282-I284 PolarHBondContact O-N 3.5Å; I284-P289 WeakPolarHBondContact O-CG 3.32Å; I284-V311 HydrophobicContact CD1-CG2 3.28Å; I284-V311 HydrophobicContact CG1-CG2 3.72Å; I284-V318 HydrophobicContact CG1-CG2 4.3Å
285	C	72.3	Confident	77	Confident	48 Å²	48	45.1 Å²	45.1	32%	0.324	27%	0.269	S	S	.	.	S	Bend	trans	-74.4	140	172.3	-163	0	0	0	0	110.9	L280 P281	L280-C285 HydrophobicContact CB-CB 4.36Å; P281-C285 WeakPolarHBondContact O-CB 3.24Å; P281-C285 PolarHBondContact O-N 2.63Å
286	G	70.3	Confident	78.5	Confident	32 Å²	32	42.9 Å²	42.9	33%	0.33	26%	0.259	S	S	.	.	S	Bend	trans	98.2	-155.9	173.3	0	0	0	0	0	115.7	M288	G286-M288 PolarHBondContact O-N 3.38Å
287	D	80.8	Confident	80.6	Confident	58 Å²	58	42.5 Å²	42.5	31%	0.31	25%	0.249	S	C	.	.	H	α-helix	trans	-77.8	-20.5	-166.6	-81	9	0	0	0	114.1	R290 V291 L381	D287-R290 WeakPolarHBondContact O-CB 3.46Å; D287-R290 PolarHBondContact O-N 3.09Å; D287-R290 IonicContact OD1-CZ 3.09Å; D287-R290 IonicContact OD1-NH1 3.83Å; D287-R290 PolarHBondContact OD1-NH1 3.32Å; D287-R290 IonicContact OD1-NH2 3.77Å; D287-R290 PolarHBondContact OD1-NH2 2.91Å; D287-R290 IonicContact OD2-CZ 2.87Å; D287-R290 IonicContact OD2-NH2 3.46Å; D287-R290 PolarHBondContact OD2-NH2 3.05Å; D287-V291 WeakPolarHBondContact O-CG2 3.3Å; D287-V291 PolarHBondContact O-N 2.84Å; D287-L381 HydrophobicContact CB-CD1 4.33Å
288	M	85.7	Confident	82.4	Confident	25 Å²	25	43.5 Å²	43.5	12%	0.123	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-53.4	-168.8	-176.8	-71.2	-72.9	0	0	112.5	P142 I143 E283 G286 R290 V291 F292 V318	P142-M288 HydrophobicContact CB-CG 4.13Å; P142-M288 HydrophobicContact CG-CG 3.48Å; P142-M288 VanDerWaalsContact CG-CG 3.48Å; P142-M288 HydrophobicContact CG-SD 3.96Å; I143-M288 HydrophobicContact CD1-CE 3.94Å; I143-M288 HydrophobicContact CD1-SD 3.37Å; I143-M288 WeakPolarHBondContact CD1-SD 3.38Å; I143-M288 HydrophobicContact CG1-CE 3.75Å; I143-M288 HydrophobicContact CG1-SD 3.13Å; I143-M288 WeakPolarHBondContact CG1-SD 3.35Å; E283-M288 WeakPolarHBondContact O-CE 3.47Å; G286-M288 PolarHBondContact O-N 3.38Å; M288-R290 VanDerWaalsContact C-N 3.28Å; M288-R290 PolarHBondContact O-N 2.98Å; M288-V291 PolarHBondContact O-N 2.78Å; M288-F292 PolarHBondContact O-N 2.88Å; M288-V318 HydrophobicContact CE-CB 4.28Å; M288-V318 HydrophobicContact CE-CG1 4.4Å; M288-V318 HydrophobicContact CE-CG2 3.91Å
289	P	87.2	Confident	84.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-34.2	176.8	-22.1	34.3	0	0	0	113	M226 I284 F292 A293 L309 L424	M226-P289 HydrophobicContact SD-CB 3.6Å; I284-P289 WeakPolarHBondContact O-CG 3.32Å; P289-F292 PolarHBondContact O-N 3.36Å; P289-A293 WeakPolarHBondContact O-CB 3.33Å; P289-A293 PolarHBondContact O-N 2.81Å; P289-L309 HydrophobicContact CB-CD1 4.48Å; P289-L424 HydrophobicContact CB-CD1 3.98Å; P289-L424 HydrophobicContact CG-CD1 4.36Å
290	R	88.3	Confident	85.7	Confident	55 Å²	55	39.6 Å²	39.6	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-44.3	177.1	-174.4	178.9	76.1	-134.6	2.4	111.9	D287 M288 F292 A293 R294 L424	D287-R290 WeakPolarHBondContact O-CB 3.46Å; D287-R290 PolarHBondContact O-N 3.09Å; D287-R290 IonicContact OD1-CZ 3.09Å; D287-R290 IonicContact OD1-NH1 3.83Å; D287-R290 PolarHBondContact OD1-NH1 3.32Å; D287-R290 IonicContact OD1-NH2 3.77Å; D287-R290 PolarHBondContact OD1-NH2 2.91Å; D287-R290 IonicContact OD2-CZ 2.87Å; D287-R290 IonicContact OD2-NH2 3.46Å; D287-R290 PolarHBondContact OD2-NH2 3.05Å; M288-R290 VanDerWaalsContact C-N 3.28Å; M288-R290 PolarHBondContact O-N 2.98Å; R290-F292 VanDerWaalsContact C-N 3.34Å; R290-A293 PolarHBondContact O-N 3.05Å; R290-R294 PolarHBondContact O-N 2.62Å; R290-L424 WeakPolarHBondContact CD-O 3.48Å; R290-L424 PolarHBondContact NH1-O 2.92Å
291	V	88.8	Confident	86.6	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-44.1	175.5	174	0	0	0	0	109.7	D287 M288 R294 E295 L378 L381	D287-V291 WeakPolarHBondContact O-CG2 3.3Å; D287-V291 PolarHBondContact O-N 2.84Å; M288-V291 PolarHBondContact O-N 2.78Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3Å; V291-E295 HydrophobicContact CG1-CG 4.49Å; V291-E295 WeakPolarHBondContact O-CG 3.49Å; V291-E295 PolarHBondContact O-N 3.26Å; V291-L378 HydrophobicContact CG1-CB 4.48Å; V291-L378 HydrophobicContact CG1-CD1 3.76Å; V291-L381 HydrophobicContact CG2-CD1 4.33Å
292	F	92.4	Very high	87.5	Confident	14 Å²	14	39 Å²	39	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-45.2	176.9	-174.5	-103.8	0	0	0	112.5	M134 C138 I143 M288 P289 R290 R294 E295 F296 M307 V320	M134-F292 HydrophobicContact SD-CZ 4.36Å; C138-F292 WeakPolarHBondContact SG-CZ 3.45Å; I143-F292 HydrophobicContact CB-CD2 4.14Å; I143-F292 HydrophobicContact CB-CE2 4.25Å; I143-F292 HydrophobicContact CB-CG 4.33Å; I143-F292 HydrophobicContact CD1-CB 3.71Å; I143-F292 HydrophobicContact CD1-CD1 3.74Å; I143-F292 HydrophobicContact CD1-CD2 4.33Å; I143-F292 HydrophobicContact CD1-CE1 4.44Å; I143-F292 HydrophobicContact CD1-CG 3.66Å; I143-F292 HydrophobicContact CG1-CB 4.4Å; I143-F292 HydrophobicContact CG1-CD2 4.44Å; I143-F292 HydrophobicContact CG1-CG 4.24Å; I143-F292 HydrophobicContact CG2-CD1 4.47Å; I143-F292 HydrophobicContact CG2-CE1 4.24Å; I143-F292 HydrophobicContact CG2-CE2 4.43Å; I143-F292 HydrophobicContact CG2-CZ 4.23Å; M288-F292 PolarHBondContact O-N 2.88Å; P289-F292 PolarHBondContact O-N 3.36Å; R290-F292 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 2.7Å; F292-E295 PolarHBondContact O-N 2.98Å; F292-F296 WeakPolarHBondContact O-CB 3.24Å; F292-F296 PolarHBondContact O-N 2.84Å; F292-M307 HydrophobicContact CD1-CE 4.27Å; F292-M307 HydrophobicContact CD1-SD 3.79Å; F292-M307 HydrophobicContact CE1-CE 3.92Å; F292-M307 HydrophobicContact CE1-SD 3.57Å; F292-M307 VanDerWaalsContact CE1-SD 3.57Å; F292-V320 HydrophobicContact CE1-CG2 3.72Å; F292-V320 HydrophobicContact CZ-CG2 4.19Å
293	A	92.9	Very high	88.4	Confident	3 Å²	3	35.4 Å²	35.4	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-38.2	174.9	0	0	0	0	0	112.2	M226 T233 P289 R290 R297 F305	M226-A293 HydrophobicContact CE-CB 4.11Å; M226-A293 HydrophobicContact SD-CB 4.13Å; T233-A293 HydrophobicContact CG2-CB 4.33Å; P289-A293 WeakPolarHBondContact O-CB 3.33Å; P289-A293 PolarHBondContact O-N 2.81Å; R290-A293 PolarHBondContact O-N 3.05Å; A293-R297 WeakPolarHBondContact O-CB 3.46Å; A293-R297 PolarHBondContact O-N 3.02Å; A293-F305 HydrophobicContact CB-CE2 4.3Å; A293-F305 HydrophobicContact CB-CZ 3.99Å
294	R	91.7	Very high	89.2	Confident	83 Å²	83	31.5 Å²	31.5	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-66.9	-44.9	175.3	-175	-178.3	65.1	-171.3	-5.2	112.4	R290 V291 F292 F296 R297 K298 S374	R290-R294 PolarHBondContact O-N 2.62Å; V291-R294 WeakPolarHBondContact O-CB 3.45Å; V291-R294 PolarHBondContact O-N 3Å; F292-R294 PolarHBondContact O-N 2.7Å; R294-F296 VanDerWaalsContact C-N 3.35Å; R294-R297 PolarHBondContact O-N 2.6Å; R294-K298 WeakPolarHBondContact O-CG 3.33Å; R294-K298 PolarHBondContact O-N 2.76Å; R294-S374 PolarHBondContact NH2-OG 3Å
295	E	91.6	Very high	89.9	Confident	44 Å²	44	31.6 Å²	31.6	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-37.9	178	-63.4	-44	122.8	0	0	111.9	V291 F292 R297 K298 S299 S374	V291-E295 HydrophobicContact CG1-CG 4.49Å; V291-E295 WeakPolarHBondContact O-CG 3.49Å; V291-E295 PolarHBondContact O-N 3.26Å; F292-E295 PolarHBondContact O-N 2.98Å; E295-R297 PolarHBondContact O-N 2.85Å; E295-K298 PolarHBondContact O-N 2.81Å; E295-K298 IonicContact OE1-NZ 2.69Å; E295-K298 PolarHBondContact OE1-NZ 2.92Å; E295-K298 IonicContact OE2-NZ 3.54Å; E295-K298 PolarHBondContact OE2-NZ 2.71Å; E295-S299 WeakPolarHBondContact O-CB 2.93Å; E295-S299 PolarHBondContact O-N 2.88Å; E295-S299 PolarHBondContact O-OG 2.91Å; E295-S374 VanDerWaalsContact OE1-CB 3.29Å; E295-S374 WeakPolarHBondContact OE1-CB 3.41Å
296	F	94.1	Very high	91	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-48.2	171.1	176.1	-99.8	0	0	0	111.9	L124 L133 M134 L137 F292 R294 S299 T300 L302 F305 M307 V323	L124-F296 HydrophobicContact CD1-CZ 4.18Å; L124-F296 HydrophobicContact CD2-CZ 4.38Å; L133-F296 HydrophobicContact CD2-CE2 4.09Å; M134-F296 HydrophobicContact CE-CD2 3.56Å; M134-F296 HydrophobicContact CE-CE2 3.32Å; L137-F296 HydrophobicContact CD1-CD2 3.68Å; L137-F296 HydrophobicContact CD1-CE2 4.38Å; F292-F296 WeakPolarHBondContact O-CB 3.24Å; F292-F296 PolarHBondContact O-N 2.84Å; R294-F296 VanDerWaalsContact C-N 3.35Å; F296-S299 PolarHBondContact O-N 3.23Å; F296-T300 HydrophobicContact CD2-CG2 4.09Å; F296-T300 HydrophobicContact CE1-CG2 4.45Å; F296-T300 HydrophobicContact CE2-CG2 3.68Å; F296-T300 HydrophobicContact CZ-CG2 3.89Å; F296-T300 WeakPolarHBondContact O-CB 3.1Å; F296-T300 WeakPolarHBondContact O-CG2 3.24Å; F296-T300 PolarHBondContact O-N 3.14Å; F296-T300 PolarHBondContact O-OG1 3.48Å; F296-L302 HydrophobicContact CE1-CB 4.1Å; F296-L302 HydrophobicContact CE1-CD1 3.7Å; F296-L302 HydrophobicContact CZ-CD1 3.59Å; F296-F305 AromaticContact CD1-CD1 4Å; F296-F305 HydrophobicContact CD1-CD1 4Å; F296-F305 AromaticContact CD1-CD2 3.94Å; F296-F305 HydrophobicContact CD1-CD2 3.94Å; F296-F305 AromaticContact CD1-CE1 3.7Å; F296-F305 HydrophobicContact CD1-CE1 3.7Å; F296-F305 AromaticContact CD1-CE2 3.66Å; F296-F305 HydrophobicContact CD1-CE2 3.66Å; F296-F305 HydrophobicContact CD1-CG 4.11Å; F296-F305 AromaticContact CD1-CZ 3.52Å; F296-F305 HydrophobicContact CD1-CZ 3.52Å; F296-F305 HydrophobicContact CE1-CB 4.36Å; F296-F305 AromaticContact CE1-CD1 3.85Å; F296-F305 HydrophobicContact CE1-CD1 3.85Å; F296-F305 AromaticContact CE1-CD2 3.85Å; F296-F305 HydrophobicContact CE1-CD2 3.85Å; F296-F305 HydrophobicContact CE1-CE1 4.05Å; F296-F305 HydrophobicContact CE1-CE2 4.07Å; F296-F305 AromaticContact CE1-CG 3.74Å; F296-F305 HydrophobicContact CE1-CG 3.74Å; F296-F305 HydrophobicContact CE1-CZ 4.15Å; F296-F305 HydrophobicContact CG-CZ 4.48Å; F296-M307 HydrophobicContact CB-CE 3.47Å; F296-M307 VanDerWaalsContact CB-CE 3.47Å; F296-M307 HydrophobicContact CD1-CE 3.35Å; F296-M307 HydrophobicContact CD2-CE 3.49Å; F296-M307 VanDerWaalsContact CD2-CE 3.49Å; F296-M307 HydrophobicContact CE1-CE 3.9Å; F296-M307 HydrophobicContact CE2-CE 4.05Å; F296-M307 HydrophobicContact CG-CE 3.1Å; F296-M307 HydrophobicContact CZ-CE 4.22Å; F296-V323 HydrophobicContact CE1-CG1 4.17Å; F296-V323 HydrophobicContact CE2-CG1 4.25Å; F296-V323 HydrophobicContact CZ-CG1 3.68Å
297	R	94.6	Very high	92.2	Very high	51 Å²	51	27.8 Å²	27.8	19%	0.192	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-44.1	177.6	170.9	160.9	173.1	-126	-13.9	112.5	G230 D231 A293 R294 E295 S299 T300 G301 L302 S303 F305	G230-R297 PolarHBondContact O-NH1 3.3Å; D231-R297 IonicContact OD1-CZ 3.24Å; D231-R297 IonicContact OD1-NH1 3.17Å; D231-R297 PolarHBondContact OD1-NH1 3.15Å; A293-R297 WeakPolarHBondContact O-CB 3.46Å; A293-R297 PolarHBondContact O-N 3.02Å; R294-R297 PolarHBondContact O-N 2.6Å; E295-R297 PolarHBondContact O-N 2.85Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 2.87Å; R297-T300 PolarHBondContact O-N 3.44Å; R297-G301 WeakPolarHBondContact O-CA 3.34Å; R297-G301 PolarHBondContact O-N 3.08Å; R297-L302 WeakPolarHBondContact CB-O 3.42Å; R297-L302 WeakPolarHBondContact CD-O 3.42Å; R297-L302 WeakPolarHBondContact CG-O 3.11Å; R297-S303 PolarHBondContact NE-OG 3.24Å; R297-S303 VanDerWaalsContact NE-OG 3.17Å; R297-F305 HydrophobicContact CB-CE1 4.31Å
298	K	91.9	Very high	92.8	Very high	99 Å²	99	25.8 Å²	25.8	43%	0.43	13%	0.133	S	C	.	.	H	α-helix	trans	-59.5	-39.6	176.4	-73.6	174.2	-177.7	169.6	0	112	R294 E295 S374	R294-K298 WeakPolarHBondContact O-CG 3.33Å; R294-K298 PolarHBondContact O-N 2.76Å; E295-K298 PolarHBondContact O-N 2.81Å; E295-K298 IonicContact OE1-NZ 2.69Å; E295-K298 PolarHBondContact OE1-NZ 2.92Å; E295-K298 IonicContact OE2-NZ 3.54Å; E295-K298 PolarHBondContact OE2-NZ 2.71Å; K298-S374 VanDerWaalsContact NZ-CB 3.32Å; K298-S374 PolarHBondContact NZ-OG 2.88Å
299	S	91.6	Very high	93.3	Very high	71 Å²	71	24.6 Å²	24.6	50%	0.497	13%	0.127	S	C	.	.	H	α-helix	trans	-79.4	-23.3	-175.4	-54.9	0	0	0	0	113.6	L137 E295 F296 R297	L137-S299 WeakPolarHBondContact CD2-OG 3.36Å; E295-S299 WeakPolarHBondContact O-CB 2.93Å; E295-S299 PolarHBondContact O-N 2.88Å; E295-S299 PolarHBondContact O-OG 2.91Å; F296-S299 PolarHBondContact O-N 3.23Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 2.87Å
300	T	93.3	Very high	93.6	Very high	22 Å²	22	24.8 Å²	24.8	14%	0.135	13%	0.128	C	C	.	.	H	α-helix	trans	-114.9	-20	-174.8	59.2	0	0	0	0	114.5	A120 L133 F296 R297 L302	A120-T300 WeakPolarHBondContact CB-O 3.44Å; L133-T300 HydrophobicContact CD1-CG2 4.42Å; L133-T300 HydrophobicContact CD2-CG2 3.57Å; F296-T300 HydrophobicContact CD2-CG2 4.09Å; F296-T300 HydrophobicContact CE1-CG2 4.45Å; F296-T300 HydrophobicContact CE2-CG2 3.68Å; F296-T300 HydrophobicContact CZ-CG2 3.89Å; F296-T300 WeakPolarHBondContact O-CB 3.1Å; F296-T300 WeakPolarHBondContact O-CG2 3.24Å; F296-T300 PolarHBondContact O-N 3.14Å; F296-T300 PolarHBondContact O-OG1 3.48Å; R297-T300 PolarHBondContact O-N 3.44Å; T300-L302 HydrophobicContact CG2-CD1 4.47Å; T300-L302 PolarHBondContact O-N 3.09Å; T300-L302 WeakPolarHBondContact OG1-CB 3.36Å; T300-L302 PolarHBondContact OG1-N 3.21Å
301	G	94.2	Very high	93.9	Very high	37 Å²	37	23 Å²	23	38%	0.381	12%	0.123	S	C	.	.			trans	76.4	-6.8	-168.5	0	0	0	0	0	114.6	R297	R297-G301 WeakPolarHBondContact O-CA 3.34Å; R297-G301 PolarHBondContact O-N 3.08Å
302	L	96.1	Very high	94.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.126	C	C	.	.			trans	-70.4	132.6	-178.5	-65.6	167.8	0	0	0	111.6	D116 A120 V121 L124 F296 R297 T300 F305 T325	D116-L302 HydrophobicContact CB-CD2 3.5Å; A120-L302 HydrophobicContact CB-CD1 4.43Å; A120-L302 HydrophobicContact CB-CD2 3.72Å; A120-L302 HydrophobicContact CB-CG 3.81Å; V121-L302 HydrophobicContact CG2-CD2 4.2Å; L124-L302 HydrophobicContact CD1-CD1 3.31Å; L124-L302 HydrophobicContact CG-CD1 3.94Å; F296-L302 HydrophobicContact CE1-CB 4.1Å; F296-L302 HydrophobicContact CE1-CD1 3.7Å; F296-L302 HydrophobicContact CZ-CD1 3.59Å; R297-L302 WeakPolarHBondContact CB-O 3.42Å; R297-L302 WeakPolarHBondContact CD-O 3.42Å; R297-L302 WeakPolarHBondContact CG-O 3.11Å; T300-L302 HydrophobicContact CG2-CD1 4.47Å; T300-L302 PolarHBondContact O-N 3.09Å; T300-L302 WeakPolarHBondContact OG1-CB 3.36Å; T300-L302 PolarHBondContact OG1-N 3.21Å; L302-F305 HydrophobicContact CB-CD1 4.13Å; L302-T325 HydrophobicContact CD1-CG2 4.41Å; L302-T325 HydrophobicContact CD2-CG2 3.99Å
303	S	96.2	Very high	93.9	Very high	10 Å²	10	27.6 Å²	27.6	7%	0.07	15%	0.145	C	C	.	.			trans	-115.8	-24.8	178.4	-58.7	0	0	0	0	113.2	D116 G230 R297	D116-S303 WeakPolarHBondContact OD1-CB 3.09Å; D116-S303 PolarHBondContact OD1-N 3.05Å; D116-S303 PolarHBondContact OD2-N 3.46Å; G230-S303 PolarHBondContact N-O 3.28Å; R297-S303 PolarHBondContact NE-OG 3.24Å; R297-S303 VanDerWaalsContact NE-OG 3.17Å
304	L	97.5	Very high	93.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	93.9	178.2	-57	-179.5	0	0	0	108.5	L115 D116 I229 F326 Y329 L339 F342	L115-L304 HydrophobicContact CB-CD1 4.42Å; D116-L304 PolarHBondContact OD2-N 3.32Å; I229-L304 HydrophobicContact CB-CD2 4.42Å; I229-L304 HydrophobicContact CG2-CD2 3.85Å; L304-F326 HydrophobicContact CB-CB 4.26Å; L304-F326 HydrophobicContact CB-CD1 4.4Å; L304-F326 HydrophobicContact CB-CG 4.26Å; L304-F326 HydrophobicContact CD1-CD1 3.6Å; L304-F326 HydrophobicContact CD1-CE1 3.61Å; L304-F326 HydrophobicContact CD1-CG 4.18Å; L304-F326 HydrophobicContact CD1-CZ 4.18Å; L304-F326 WeakPolarHBondContact O-CA 3.28Å; L304-F326 PolarHBondContact O-N 3.13Å; L304-Y329 VanDerWaalsContact C-OH 3.29Å; L304-Y329 VanDerWaalsContact CA-OH 3.24Å; L304-Y329 WeakPolarHBondContact CA-OH 3.2Å; L304-L339 HydrophobicContact CD1-CD1 3.85Å; L304-L339 HydrophobicContact CD2-CD1 3.79Å; L304-L339 HydrophobicContact CG-CD1 4.5Å; L304-F342 HydrophobicContact CD2-CD1 4.03Å; L304-F342 HydrophobicContact CD2-CE1 4.06Å; L304-F342 HydrophobicContact CG-CE1 4.46Å
305	F	96.5	Very high	93.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.8	178.8	64.6	-89.3	0	0	0	112.1	A228 A293 F296 R297 L302 M307 N324 Y329	A228-F305 HydrophobicContact CB-CD1 3.92Å; A228-F305 HydrophobicContact CB-CD2 4.09Å; A228-F305 HydrophobicContact CB-CE1 3.44Å; A228-F305 VanDerWaalsContact CB-CE1 3.44Å; A228-F305 HydrophobicContact CB-CE2 3.62Å; A228-F305 HydrophobicContact CB-CG 4.22Å; A228-F305 HydrophobicContact CB-CZ 3.27Å; A228-F305 PolarHBondContact N-O 3.1Å; A228-F305 PolarHBondContact O-N 3.07Å; A293-F305 HydrophobicContact CB-CE2 4.3Å; A293-F305 HydrophobicContact CB-CZ 3.99Å; F296-F305 AromaticContact CD1-CD1 4Å; F296-F305 HydrophobicContact CD1-CD1 4Å; F296-F305 AromaticContact CD1-CD2 3.94Å; F296-F305 HydrophobicContact CD1-CD2 3.94Å; F296-F305 AromaticContact CD1-CE1 3.7Å; F296-F305 HydrophobicContact CD1-CE1 3.7Å; F296-F305 AromaticContact CD1-CE2 3.66Å; F296-F305 HydrophobicContact CD1-CE2 3.66Å; F296-F305 HydrophobicContact CD1-CG 4.11Å; F296-F305 AromaticContact CD1-CZ 3.52Å; F296-F305 HydrophobicContact CD1-CZ 3.52Å; F296-F305 HydrophobicContact CE1-CB 4.36Å; F296-F305 AromaticContact CE1-CD1 3.85Å; F296-F305 HydrophobicContact CE1-CD1 3.85Å; F296-F305 AromaticContact CE1-CD2 3.85Å; F296-F305 HydrophobicContact CE1-CD2 3.85Å; F296-F305 HydrophobicContact CE1-CE1 4.05Å; F296-F305 HydrophobicContact CE1-CE2 4.07Å; F296-F305 AromaticContact CE1-CG 3.74Å; F296-F305 HydrophobicContact CE1-CG 3.74Å; F296-F305 HydrophobicContact CE1-CZ 4.15Å; F296-F305 HydrophobicContact CG-CZ 4.48Å; R297-F305 HydrophobicContact CB-CE1 4.31Å; L302-F305 HydrophobicContact CB-CD1 4.13Å; F305-M307 HydrophobicContact CD2-CE 3.95Å; F305-M307 HydrophobicContact CD2-CG 3.98Å; F305-M307 HydrophobicContact CE2-CE 3.49Å; F305-M307 VanDerWaalsContact CE2-CE 3.49Å; F305-M307 HydrophobicContact CE2-CG 4.04Å; F305-M307 HydrophobicContact CE2-SD 4.2Å; F305-M307 HydrophobicContact CZ-CE 4.29Å; F305-N324 CarbonylContact C-O 3.54Å; F305-N324 VanDerWaalsContact CA-O 3.22Å; F305-N324 WeakPolarHBondContact CA-O 3.42Å; F305-Y329 PolarHBondContact N-OH 2.91Å
306	G	95.5	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.4	166.1	0	0	0	0	0	110.9	M226 V323 N324	M226-G306 CarbonylContact O-C 3.48Å; M226-G306 WeakPolarHBondContact O-CA 3.36Å; G306-V323 CarbonylContact O-C 3.44Å; G306-V323 WeakPolarHBondContact O-CA 3.11Å; G306-N324 PolarHBondContact N-O 2.95Å; G306-N324 PolarHBondContact O-N 3.16Å
307	M	95.2	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.3	178.4	-58.1	-175.2	172.5	0	0	109.5	M226 F292 F296 F305 L309 D322 V323	M226-M307 HydrophobicContact CB-CB 4.43Å; M226-M307 HydrophobicContact CE-CB 3.73Å; M226-M307 HydrophobicContact CE-CG 3.73Å; M226-M307 HydrophobicContact CE-SD 3.25Å; M226-M307 WeakPolarHBondContact CE-SD 3.46Å; M226-M307 PolarHBondContact N-O 3.34Å; M226-M307 PolarHBondContact O-N 2.8Å; F292-M307 HydrophobicContact CD1-CE 4.27Å; F292-M307 HydrophobicContact CD1-SD 3.79Å; F292-M307 HydrophobicContact CE1-CE 3.92Å; F292-M307 HydrophobicContact CE1-SD 3.57Å; F292-M307 VanDerWaalsContact CE1-SD 3.57Å; F296-M307 HydrophobicContact CB-CE 3.47Å; F296-M307 VanDerWaalsContact CB-CE 3.47Å; F296-M307 HydrophobicContact CD1-CE 3.35Å; F296-M307 HydrophobicContact CD2-CE 3.49Å; F296-M307 VanDerWaalsContact CD2-CE 3.49Å; F296-M307 HydrophobicContact CE1-CE 3.9Å; F296-M307 HydrophobicContact CE2-CE 4.05Å; F296-M307 HydrophobicContact CG-CE 3.1Å; F296-M307 HydrophobicContact CZ-CE 4.22Å; F305-M307 HydrophobicContact CD2-CE 3.95Å; F305-M307 HydrophobicContact CD2-CG 3.98Å; F305-M307 HydrophobicContact CE2-CE 3.49Å; F305-M307 VanDerWaalsContact CE2-CE 3.49Å; F305-M307 HydrophobicContact CE2-CG 4.04Å; F305-M307 HydrophobicContact CE2-SD 4.2Å; F305-M307 HydrophobicContact CZ-CE 4.29Å; M307-L309 HydrophobicContact CB-CD2 4.23Å; M307-D322 WeakPolarHBondContact CA-O 3.28Å; M307-V323 HydrophobicContact CE-CG1 4.45Å; M307-V323 HydrophobicContact CG-CG1 4.13Å; M307-V323 HydrophobicContact CG-CG2 4.11Å
308	D	94.3	Very high	93.8	Very high	16 Å²	16	29.4 Å²	29.4	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110	175.4	-75.9	5.6	0	0	0	107.2	L223 K225 I321 D322	L223-D308 HydrophobicContact CD1-CB 3.58Å; L223-D308 HydrophobicContact CD2-CB 4.18Å; L223-D308 HydrophobicContact CG-CB 4.38Å; K225-D308 WeakPolarHBondContact CG-OD1 3.24Å; K225-D308 IonicContact NZ-OD1 3.59Å; K225-D308 PolarHBondContact NZ-OD1 3.04Å; K225-D308 IonicContact NZ-OD2 2.77Å; K225-D308 PolarHBondContact NZ-OD2 3.32Å; D308-I321 HydrophobicContact CB-CG1 4.06Å; D308-I321 WeakPolarHBondContact O-CG1 3.49Å; D308-I321 PolarHBondContact O-N 2.66Å; D308-D322 HydrophobicContact CB-CB 4.07Å; D308-D322 PolarHBondContact N-O 3.43Å
309	L	95.1	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.2	-177.8	-51.8	177.6	0	0	0	110.8	L223 Y224 M226 I235 P289 M307 V318 Y319 V320	L223-L309 VanDerWaalsContact CD1-O 3.29Å; L223-L309 WeakPolarHBondContact CD1-O 3.36Å; Y224-L309 PolarHBondContact N-O 3.39Å; Y224-L309 WeakPolarHBondContact O-CB 3.4Å; Y224-L309 PolarHBondContact O-N 3.49Å; M226-L309 HydrophobicContact CB-CD1 4.13Å; M226-L309 HydrophobicContact CE-CD1 4.42Å; M226-L309 HydrophobicContact SD-CD1 4.49Å; I235-L309 HydrophobicContact CD1-CD1 4.26Å; P289-L309 HydrophobicContact CB-CD1 4.48Å; M307-L309 HydrophobicContact CB-CD2 4.23Å; L309-V318 HydrophobicContact CB-CG1 4.39Å; L309-Y319 CarbonylContact C-O 3.58Å; L309-Y319 VanDerWaalsContact CA-O 3.26Å; L309-Y319 WeakPolarHBondContact CA-O 3.1Å; L309-V320 HydrophobicContact CD2-CB 4.18Å; L309-V320 HydrophobicContact CD2-CG2 3.33Å
310	I	94.5	Very high	94.1	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.8	168.9	61.5	177.6	0	0	0	110.1	I217 H219 L223 V318 Y319 I321	I217-I310 HydrophobicContact CB-CD1 3.72Å; I217-I310 HydrophobicContact CG1-CD1 4.31Å; I217-I310 HydrophobicContact CG2-CD1 4.2Å; H219-I310 HydrophobicContact CB-CB 3.81Å; H219-I310 HydrophobicContact CB-CD1 4.4Å; H219-I310 HydrophobicContact CB-CG1 4.5Å; H219-I310 HydrophobicContact CB-CG2 4.34Å; L223-I310 HydrophobicContact CD1-CG2 3.93Å; I310-V318 WeakPolarHBondContact O-CA 3.19Å; I310-Y319 PolarHBondContact N-O 2.78Å; I310-Y319 PolarHBondContact O-N 2.72Å; I310-I321 HydrophobicContact CD1-CG2 3.59Å; I310-I321 HydrophobicContact CG1-CG2 3.9Å; I310-I321 HydrophobicContact CG2-CD1 3.91Å
311	V	94	Very high	94.1	Very high	17 Å²	17	23.3 Å²	23.3	10%	0.103	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	174.3	-172.5	0	0	0	0	107.9	H219 Y224 P281 I284 Q313 V318	H219-V311 VanDerWaalsContact CA-O 3.24Å; H219-V311 WeakPolarHBondContact CA-O 3.46Å; H219-V311 WeakPolarHBondContact CB-O 3.37Å; Y224-V311 HydrophobicContact CD2-CG2 4.24Å; Y224-V311 HydrophobicContact CE2-CG2 3.91Å; P281-V311 HydrophobicContact CG-CG2 4.37Å; I284-V311 HydrophobicContact CD1-CG2 3.28Å; I284-V311 HydrophobicContact CG1-CG2 3.72Å; V311-Q313 PolarHBondContact O-N 3Å; V311-V318 HydrophobicContact CG2-CG2 4.45Å
312	D	93.2	Very high	94.1	Very high	20 Å²	20	23.4 Å²	23.4	11%	0.107	14%	0.137	C	C	.	.			trans	-62.5	118.9	172.5	176.3	-7.9	0	0	0	109.7	I217 R218 S314 S315 G316 Q317 Y319	I217-D312 HydrophobicContact CG2-CB 3.64Å; R218-D312 WeakPolarHBondContact O-CA 3.43Å; D312-S314 PolarHBondContact O-N 2.79Å; D312-S314 VanDerWaalsContact O-N 3.13Å; D312-S314 WeakPolarHBondContact OD1-CB 3.3Å; D312-S314 PolarHBondContact OD1-N 3.45Å; D312-S314 PolarHBondContact OD1-OG 2.93Å; D312-S314 PolarHBondContact OD2-OG 2.92Å; D312-S315 WeakPolarHBondContact CB-OG 3.23Å; D312-S315 PolarHBondContact O-N 3.36Å; D312-S315 PolarHBondContact OD2-OG 3.47Å; D312-G316 WeakPolarHBondContact O-CA 3.16Å; D312-G316 PolarHBondContact O-N 3.04Å; D312-Q317 HydrophobicContact CB-CB 4.4Å; D312-Q317 PolarHBondContact N-O 3.43Å; D312-Y319 HydrophobicContact CB-CD2 4.36Å; D312-Y319 HydrophobicContact CB-CE2 3.9Å
313	Q	88.9	Confident	94	Very high	97 Å²	97	23.5 Å²	23.5	45%	0.453	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.7	-176.3	68.8	175	-20.5	0	0	114	R218 D243 V311	R218-Q313 HydrophobicContact CB-CG 4.05Å; R218-Q313 PolarHBondContact O-N 3.43Å; D243-Q313 PolarHBondContact OD2-NE2 2.91Å; D243-Q313 PolarHBondContact OD2-OE1 2.86Å; V311-Q313 PolarHBondContact O-N 3Å
314	S	89.3	Confident	93.8	Very high	87 Å²	87	25.7 Å²	25.7	61%	0.608	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-34.9	-176.7	65.4	0	0	0	0	113.1	D312	D312-S314 PolarHBondContact O-N 2.79Å; D312-S314 VanDerWaalsContact O-N 3.13Å; D312-S314 WeakPolarHBondContact OD1-CB 3.3Å; D312-S314 PolarHBondContact OD1-N 3.45Å; D312-S314 PolarHBondContact OD1-OG 2.93Å; D312-S314 PolarHBondContact OD2-OG 2.92Å
315	S	91.9	Very high	93.7	Very high	74 Å²	74	26 Å²	26	52%	0.517	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-15.3	-172.9	65.5	0	0	0	0	114.2	D312 Q317	D312-S315 WeakPolarHBondContact CB-OG 3.23Å; D312-S315 PolarHBondContact O-N 3.36Å; D312-S315 PolarHBondContact OD2-OG 3.47Å; S315-Q317 PolarHBondContact O-N 3.38Å; S315-Q317 VanDerWaalsContact OG-CB 3.26Å; S315-Q317 WeakPolarHBondContact OG-CB 3.46Å; S315-Q317 PolarHBondContact OG-N 3.46Å
316	G	91.5	Very high	93.6	Very high	20 Å²	20	26.2 Å²	26.2	21%	0.206	15%	0.152	C	C	.	.			trans	72.7	0.1	-169.3	0	0	0	0	0	113.6	E283 D312 V318	E283-G316 WeakPolarHBondContact CG-O 3.35Å; D312-G316 WeakPolarHBondContact O-CA 3.16Å; D312-G316 PolarHBondContact O-N 3.04Å; G316-V318 PolarHBondContact O-N 3.37Å
317	Q	93.5	Very high	93.5	Very high	35 Å²	35	26.8 Å²	26.8	16%	0.164	16%	0.155	C	C	.	.			trans	-64	127.3	-178.6	179.9	58.1	71.8	0	0	111	P142 R144 D312 S315 Y319	P142-Q317 PolarHBondContact O-NE2 3.02Å; R144-Q317 HydrophobicContact CB-CG 4.48Å; R144-Q317 HydrophobicContact CG-CG 4.45Å; D312-Q317 HydrophobicContact CB-CB 4.4Å; D312-Q317 PolarHBondContact N-O 3.43Å; S315-Q317 PolarHBondContact O-N 3.38Å; S315-Q317 VanDerWaalsContact OG-CB 3.26Å; S315-Q317 WeakPolarHBondContact OG-CB 3.46Å; S315-Q317 PolarHBondContact OG-N 3.46Å; Q317-Y319 HydrophobicContact CB-CD2 4.47Å; Q317-Y319 HydrophobicContact CB-CE2 3.75Å; Q317-Y319 HydrophobicContact CG-CD2 4.1Å; Q317-Y319 HydrophobicContact CG-CE1 4.08Å; Q317-Y319 HydrophobicContact CG-CE2 3.44Å; Q317-Y319 VanDerWaalsContact CG-CE2 3.44Å; Q317-Y319 VanDerWaalsContact CG-CZ 3.43Å; Q317-Y319 WeakPolarHBondContact O-CD2 3.49Å
318	V	95.1	Very high	93.3	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.7	175.9	-174.8	0	0	0	0	109.8	I143 R144 E283 I284 M288 L309 I310 V311 G316	I143-V318 HydrophobicContact CD1-CG1 4.37Å; I143-V318 HydrophobicContact CG1-CB 4.45Å; I143-V318 HydrophobicContact CG1-CG1 4.28Å; I143-V318 HydrophobicContact CG2-CG1 4.46Å; R144-V318 PolarHBondContact N-O 2.84Å; E283-V318 HydrophobicContact CB-CG2 3.72Å; I284-V318 HydrophobicContact CG1-CG2 4.3Å; M288-V318 HydrophobicContact CE-CB 4.28Å; M288-V318 HydrophobicContact CE-CG1 4.4Å; M288-V318 HydrophobicContact CE-CG2 3.91Å; L309-V318 HydrophobicContact CB-CG1 4.39Å; I310-V318 WeakPolarHBondContact O-CA 3.19Å; V311-V318 HydrophobicContact CG2-CG2 4.45Å; G316-V318 PolarHBondContact O-N 3.37Å
319	Y	95.4	Very high	93.2	Very high	29 Å²	29	26.5 Å²	26.5	11%	0.114	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.2	178.1	-68.4	-83.1	0	0	0	112.1	R144 P146 I217 L309 I310 D312 Q317	R144-Y319 HydrophobicContact CB-CD1 3.69Å; R144-Y319 HydrophobicContact CB-CE1 3.64Å; R144-Y319 CarbonylContact O-C 3.58Å; R144-Y319 VanDerWaalsContact O-CA 3.23Å; R144-Y319 WeakPolarHBondContact O-CA 3.46Å; P146-Y319 HydrophobicContact CB-CD1 4.36Å; P146-Y319 HydrophobicContact CG-CD1 3.83Å; P146-Y319 HydrophobicContact CG-CG 4.08Å; I217-Y319 HydrophobicContact CD1-CE2 4.23Å; I217-Y319 HydrophobicContact CG1-CD2 4.17Å; I217-Y319 HydrophobicContact CG1-CE2 4.25Å; I217-Y319 HydrophobicContact CG1-CG 4.46Å; I217-Y319 HydrophobicContact CG2-CD2 4Å; I217-Y319 HydrophobicContact CG2-CE2 4.04Å; L309-Y319 CarbonylContact C-O 3.58Å; L309-Y319 VanDerWaalsContact CA-O 3.26Å; L309-Y319 WeakPolarHBondContact CA-O 3.1Å; I310-Y319 PolarHBondContact N-O 2.78Å; I310-Y319 PolarHBondContact O-N 2.72Å; D312-Y319 HydrophobicContact CB-CD2 4.36Å; D312-Y319 HydrophobicContact CB-CE2 3.9Å; Q317-Y319 HydrophobicContact CB-CD2 4.47Å; Q317-Y319 HydrophobicContact CB-CE2 3.75Å; Q317-Y319 HydrophobicContact CG-CD2 4.1Å; Q317-Y319 HydrophobicContact CG-CE1 4.08Å; Q317-Y319 HydrophobicContact CG-CE2 3.44Å; Q317-Y319 VanDerWaalsContact CG-CE2 3.44Å; Q317-Y319 VanDerWaalsContact CG-CZ 3.43Å; Q317-Y319 WeakPolarHBondContact O-CD2 3.49Å
320	V	95.8	Very high	92.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.4	165.1	178.2	0	0	0	0	108.7	M134 I143 R144 T145 P146 F292 L309 V323	M134-V320 HydrophobicContact CG-CG1 4.28Å; M134-V320 HydrophobicContact SD-CG1 4.05Å; I143-V320 HydrophobicContact CG2-CB 4.45Å; I143-V320 HydrophobicContact CG2-CG2 3.38Å; R144-V320 PolarHBondContact O-N 3.28Å; T145-V320 PolarHBondContact OG1-O 3.08Å; P146-V320 WeakPolarHBondContact CD-O 2.82Å; F292-V320 HydrophobicContact CE1-CG2 3.72Å; F292-V320 HydrophobicContact CZ-CG2 4.19Å; L309-V320 HydrophobicContact CD2-CB 4.18Å; L309-V320 HydrophobicContact CD2-CG2 3.33Å; V320-V323 HydrophobicContact CG1-CG2 3.7Å
321	I	93.6	Very high	92	Very high	35 Å²	35	26.6 Å²	26.6	18%	0.179	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-19.8	-179.3	61	166	0	0	0	113.9	Y131 P146 L223 D308 I310	Y131-I321 VanDerWaalsContact CE1-O 3.23Å; Y131-I321 WeakPolarHBondContact CE1-O 3.4Å; Y131-I321 PolarHBondContact OH-O 2.7Å; P146-I321 HydrophobicContact CG-CG2 3.95Å; L223-I321 HydrophobicContact CD1-CD1 4.05Å; L223-I321 HydrophobicContact CD1-CG1 4.42Å; D308-I321 HydrophobicContact CB-CG1 4.06Å; D308-I321 WeakPolarHBondContact O-CG1 3.49Å; D308-I321 PolarHBondContact O-N 2.66Å; I310-I321 HydrophobicContact CD1-CG2 3.59Å; I310-I321 HydrophobicContact CG1-CG2 3.9Å; I310-I321 HydrophobicContact CG2-CD1 3.91Å
322	D	92.9	Very high	91.6	Very high	39 Å²	39	25.9 Å²	25.9	21%	0.209	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.4	174.8	-173.7	25.9	0	0	0	111.2	Q130 M307 D308 N324	Q130-D322 PolarHBondContact NE2-OD1 3.18Å; M307-D322 WeakPolarHBondContact CA-O 3.28Å; D308-D322 HydrophobicContact CB-CB 4.07Å; D308-D322 PolarHBondContact N-O 3.43Å; D322-N324 PolarHBondContact OD2-ND2 3.43Å
323	V	93.6	Very high	90.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	113.1	177.4	-172.6	0	0	0	0	110.3	L124 Q130 M134 F296 G306 M307 V320	L124-V323 HydrophobicContact CD1-CB 4.42Å; L124-V323 HydrophobicContact CD1-CG1 3.76Å; L124-V323 HydrophobicContact CD2-CB 4.27Å; L124-V323 HydrophobicContact CD2-CG1 4.25Å; Q130-V323 HydrophobicContact CG-CB 4.28Å; Q130-V323 HydrophobicContact CG-CG2 4.48Å; Q130-V323 PolarHBondContact NE2-O 3.35Å; M134-V323 HydrophobicContact CE-CG2 4.3Å; M134-V323 HydrophobicContact CG-CG2 4.34Å; M134-V323 HydrophobicContact SD-CG2 3.85Å; F296-V323 HydrophobicContact CE1-CG1 4.17Å; F296-V323 HydrophobicContact CE2-CG1 4.25Å; F296-V323 HydrophobicContact CZ-CG1 3.68Å; G306-V323 CarbonylContact O-C 3.44Å; G306-V323 WeakPolarHBondContact O-CA 3.11Å; M307-V323 HydrophobicContact CE-CG1 4.45Å; M307-V323 HydrophobicContact CG-CG1 4.13Å; M307-V323 HydrophobicContact CG-CG2 4.11Å; V320-V323 HydrophobicContact CG1-CG2 3.7Å
324	N	92.7	Very high	90.8	Very high	56 Å²	56	26.3 Å²	26.3	30%	0.299	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.6	-176.9	-70.1	-85.7	0	0	0	111	F305 G306 D322 P327	F305-N324 CarbonylContact C-O 3.54Å; F305-N324 VanDerWaalsContact CA-O 3.22Å; F305-N324 WeakPolarHBondContact CA-O 3.42Å; G306-N324 PolarHBondContact N-O 2.95Å; G306-N324 PolarHBondContact O-N 3.16Å; D322-N324 PolarHBondContact OD2-ND2 3.43Å; N324-P327 HydrophobicContact CB-CB 4.39Å
325	T	94.5	Very high	90.9	Very high	9 Å²	9	22.2 Å²	22.2	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.6	165.3	55.1	0	0	0	0	110.2	K80 V121 L124 L302	K80-T325 WeakPolarHBondContact CE-O 3.29Å; K80-T325 PolarHBondContact NZ-O 2.66Å; K80-T325 PolarHBondContact NZ-OG1 2.84Å; V121-T325 HydrophobicContact CB-CG2 4.28Å; V121-T325 HydrophobicContact CG1-CG2 4.08Å; V121-T325 HydrophobicContact CG2-CG2 4.09Å; L124-T325 HydrophobicContact CB-CG2 4.06Å; L124-T325 HydrophobicContact CD1-CG2 3.48Å; L124-T325 VanDerWaalsContact CD1-CG2 3.48Å; L124-T325 HydrophobicContact CG-CG2 4.22Å; L302-T325 HydrophobicContact CD1-CG2 4.41Å; L302-T325 HydrophobicContact CD2-CG2 3.99Å
326	F	96	Very high	91	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.022	11%	0.107	C	C	.	.	S	Bend	trans	32	68.5	177.2	-157.4	152.2	0	0	0	111.8	K40 I44 V78 H79 K80 L304 Y329 F335 L339	K40-F326 PolarHBondContact NZ-O 3.21Å; I44-F326 HydrophobicContact CD1-CE2 3.88Å; I44-F326 HydrophobicContact CD1-CZ 3.96Å; V78-F326 HydrophobicContact CG1-CE1 3.78Å; V78-F326 HydrophobicContact CG1-CZ 4.42Å; H79-F326 WeakPolarHBondContact O-CD1 3.41Å; K80-F326 HydrophobicContact CB-CD1 4.36Å; K80-F326 HydrophobicContact CD-CB 3.96Å; K80-F326 WeakPolarHBondContact CE-O 3.28Å; K80-F326 HydrophobicContact CG-CB 4.43Å; L304-F326 HydrophobicContact CB-CB 4.26Å; L304-F326 HydrophobicContact CB-CD1 4.4Å; L304-F326 HydrophobicContact CB-CG 4.26Å; L304-F326 HydrophobicContact CD1-CD1 3.6Å; L304-F326 HydrophobicContact CD1-CE1 3.61Å; L304-F326 HydrophobicContact CD1-CG 4.18Å; L304-F326 HydrophobicContact CD1-CZ 4.18Å; L304-F326 WeakPolarHBondContact O-CA 3.28Å; L304-F326 PolarHBondContact O-N 3.13Å; F326-Y329 HydrophobicContact CD2-CD2 4.29Å; F326-Y329 AromaticContact CD2-CE2 3.69Å; F326-Y329 HydrophobicContact CD2-CE2 3.69Å; F326-Y329 HydrophobicContact CE2-CD2 4.41Å; F326-Y329 HydrophobicContact CE2-CE2 4.06Å; F326-F335 HydrophobicContact CE2-CE1 4.13Å; F326-F335 HydrophobicContact CE2-CE2 4.46Å; F326-F335 AromaticContact CE2-CZ 3.51Å; F326-F335 HydrophobicContact CE2-CZ 3.51Å; F326-F335 HydrophobicContact CZ-CZ 4.01Å; F326-L339 HydrophobicContact CZ-CD2 4.11Å
327	P	93.4	Very high	91.1	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.071	12%	0.116	C	C	.	.			trans	-67	-174.1	-179	31.3	-39.2	0	0	0	111.2	K40 F227 N324 Y329	K40-P327 VanDerWaalsContact NZ-C 3.3Å; K40-P327 PolarHBondContact NZ-O 2.73Å; F227-P327 HydrophobicContact CD1-CB 4.39Å; F227-P327 HydrophobicContact CD1-CG 3.74Å; F227-P327 HydrophobicContact CE1-CB 4.24Å; F227-P327 HydrophobicContact CE1-CG 4.08Å; N324-P327 HydrophobicContact CB-CB 4.39Å; P327-Y329 VanDerWaalsContact C-N 3.34Å; P327-Y329 HydrophobicContact CG-CD1 4.4Å; P327-Y329 HydrophobicContact CG-CD2 4.14Å; P327-Y329 HydrophobicContact CG-CE1 4.09Å; P327-Y329 HydrophobicContact CG-CE2 3.81Å; P327-Y329 HydrophobicContact CG-CG 4.43Å; P327-Y329 WeakPolarHBondContact O-CD2 3.41Å; P327-Y329 WeakPolarHBondContact O-CE2 3.12Å; P327-Y329 PolarHBondContact O-N 2.89Å
328	S	90.1	Very high	91.2	Very high	11 Å²	11	21.4 Å²	21.4	8%	0.077	12%	0.115	C	C	.	.			trans	-68.8	-28.3	177.2	35.3	0	0	0	0	113.8	K43 D330 R405	K43-S328 VanDerWaalsContact CE-CB 3.48Å; K43-S328 PolarHBondContact NZ-OG 3.14Å; S328-D330 PolarHBondContact O-N 3.47Å; S328-D330 VanDerWaalsContact OG-CG 3.32Å; S328-D330 PolarHBondContact OG-OD1 3.45Å; S328-D330 PolarHBondContact OG-OD2 3.26Å; S328-R405 PolarHBondContact O-NH2 2.82Å
329	Y	91.9	Very high	91.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.			trans	51.9	39.5	-169.5	-55	-87	0	0	0	111.7	F227 A228 I229 L304 F305 F326 P327 S331 L332 F335 R405	F227-Y329 HydrophobicContact CB-CD1 3.75Å; F227-Y329 HydrophobicContact CB-CE1 3.81Å; F227-Y329 AromaticContact CD1-CD1 3.84Å; F227-Y329 HydrophobicContact CD1-CD1 3.84Å; F227-Y329 HydrophobicContact CD1-CE1 4.21Å; F227-Y329 HydrophobicContact CD1-CG 4.45Å; F227-Y329 AromaticContact CG-CD1 3.98Å; F227-Y329 HydrophobicContact CG-CD1 3.98Å; F227-Y329 HydrophobicContact CG-CE1 4.39Å; A228-Y329 WeakPolarHBondContact O-CE1 3.43Å; A228-Y329 PolarHBondContact O-OH 3.14Å; I229-Y329 HydrophobicContact CD1-CD1 4.1Å; I229-Y329 HydrophobicContact CD1-CE1 4.02Å; I229-Y329 HydrophobicContact CG1-CD1 4.11Å; I229-Y329 HydrophobicContact CG1-CE1 3.52Å; L304-Y329 VanDerWaalsContact C-OH 3.29Å; L304-Y329 VanDerWaalsContact CA-OH 3.24Å; L304-Y329 WeakPolarHBondContact CA-OH 3.2Å; F305-Y329 PolarHBondContact N-OH 2.91Å; F326-Y329 HydrophobicContact CD2-CD2 4.29Å; F326-Y329 AromaticContact CD2-CE2 3.69Å; F326-Y329 HydrophobicContact CD2-CE2 3.69Å; F326-Y329 HydrophobicContact CE2-CD2 4.41Å; F326-Y329 HydrophobicContact CE2-CE2 4.06Å; P327-Y329 VanDerWaalsContact C-N 3.34Å; P327-Y329 HydrophobicContact CG-CD1 4.4Å; P327-Y329 HydrophobicContact CG-CD2 4.14Å; P327-Y329 HydrophobicContact CG-CE1 4.09Å; P327-Y329 HydrophobicContact CG-CE2 3.81Å; P327-Y329 HydrophobicContact CG-CG 4.43Å; P327-Y329 WeakPolarHBondContact O-CD2 3.41Å; P327-Y329 WeakPolarHBondContact O-CE2 3.12Å; P327-Y329 PolarHBondContact O-N 2.89Å; Y329-S331 VanDerWaalsContact C-N 3.33Å; Y329-L332 HydrophobicContact CD1-CD2 4.37Å; Y329-L332 PolarHBondContact O-N 2.92Å; Y329-F335 VanDerWaalsContact CB-CD2 3.43Å; Y329-F335 HydrophobicContact CD1-CD2 4.05Å; Y329-F335 HydrophobicContact CD1-CE2 4.08Å; Y329-F335 AromaticContact CD2-CD2 3.65Å; Y329-F335 HydrophobicContact CD2-CD2 3.65Å; Y329-F335 HydrophobicContact CD2-CE1 4.48Å; Y329-F335 AromaticContact CD2-CE2 3.17Å; Y329-F335 HydrophobicContact CD2-CE2 3.17Å; Y329-F335 HydrophobicContact CD2-CG 4.49Å; Y329-F335 AromaticContact CD2-CZ 3.67Å; Y329-F335 HydrophobicContact CD2-CZ 3.67Å; Y329-F335 HydrophobicContact CE1-CE2 4.37Å; Y329-F335 HydrophobicContact CE2-CD2 4.37Å; Y329-F335 AromaticContact CE2-CE2 3.53Å; Y329-F335 HydrophobicContact CE2-CE2 3.53Å; Y329-F335 AromaticContact CE2-CZ 3.98Å; Y329-F335 HydrophobicContact CE2-CZ 3.98Å; Y329-F335 AromaticContact CG-CD2 3.46Å; Y329-F335 HydrophobicContact CG-CD2 3.46Å; Y329-F335 VanDerWaalsContact CG-CD2 3.46Å; Y329-F335 AromaticContact CG-CE2 3.47Å; Y329-F335 HydrophobicContact CG-CE2 3.47Å; Y329-F335 VanDerWaalsContact CG-CE2 3.47Å; Y329-F335 HydrophobicContact CG-CG 4.32Å; Y329-F335 HydrophobicContact CG-CZ 4.35Å; Y329-R405 PolarHBondContact O-NH1 3.45Å
330	D	84.1	Confident	91.3	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.7	-172.3	51.1	-19.8	0	0	0	113.2	R238 I262 S328 L332 L406 Y410	R238-D330 IonicContact NH2-OD1 3.14Å; R238-D330 PolarHBondContact NH2-OD1 3.47Å; R238-D330 IonicContact NH2-OD2 3.42Å; I262-D330 HydrophobicContact CD1-CB 4.31Å; S328-D330 PolarHBondContact O-N 3.47Å; S328-D330 VanDerWaalsContact OG-CG 3.32Å; S328-D330 PolarHBondContact OG-OD1 3.45Å; S328-D330 PolarHBondContact OG-OD2 3.26Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L406 HydrophobicContact CB-CD2 3.76Å; D330-Y410 HydrophobicContact CB-CE2 3.99Å; D330-Y410 WeakPolarHBondContact OD2-CE2 3.43Å; D330-Y410 PolarHBondContact OD2-OH 2.98Å
331	S	81.3	Confident	91.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.8	169.1	-46.7	0	0	0	0	113.7	S236 R238 Y329 P333 C421	S236-S331 WeakPolarHBondContact CB-OG 3.4Å; S236-S331 WeakPolarHBondContact OG-CB 3.48Å; S236-S331 PolarHBondContact OG-OG 2.91Å; R238-S331 PolarHBondContact NH1-OG 2.91Å; R238-S331 PolarHBondContact NH2-OG 3.35Å; Y329-S331 VanDerWaalsContact C-N 3.33Å; S331-P333 WeakPolarHBondContact O-CD 3.41Å; S331-C421 WeakPolarHBondContact O-CB 3.28Å
332	L	85.1	Confident	91.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.122	C	C	.	.			trans	-97.8	109.7	-170.4	-167.1	65.4	0	0	0	110.3	I229 F234 Y329 D330 F335 L338	I229-L332 HydrophobicContact CD1-CD2 3.64Å; F234-L332 HydrophobicContact CB-CD1 4.18Å; F234-L332 HydrophobicContact CD1-CD1 3.35Å; F234-L332 HydrophobicContact CD2-CD1 3.99Å; F234-L332 HydrophobicContact CD2-CD2 3.9Å; F234-L332 HydrophobicContact CE1-CD1 3.61Å; F234-L332 HydrophobicContact CE2-CD1 4.21Å; F234-L332 HydrophobicContact CE2-CD2 3.92Å; F234-L332 HydrophobicContact CG-CD1 3.55Å; F234-L332 HydrophobicContact CG-CD2 4.31Å; F234-L332 HydrophobicContact CZ-CD1 4.04Å; F234-L332 HydrophobicContact CZ-CD2 4.33Å; Y329-L332 HydrophobicContact CD1-CD2 4.37Å; Y329-L332 PolarHBondContact O-N 2.92Å; D330-L332 VanDerWaalsContact C-N 3.34Å; L332-F335 HydrophobicContact CD2-CD2 4.42Å; L332-L338 HydrophobicContact CD1-CD1 4.06Å; L332-L338 HydrophobicContact CD2-CD1 3.49Å; L332-L338 VanDerWaalsContact CD2-CD1 3.49Å; L332-L338 HydrophobicContact CG-CD1 3.8Å
333	P	79.4	Confident	91.6	Very high	19 Å²	19	22.2 Å²	22.2	12%	0.123	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	152	170.1	31.3	-35.5	0	0	0	109.4	S331 F335 Y399 E400	S331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-F335 PolarHBondContact O-N 3.29Å; P333-F335 VanDerWaalsContact O-N 3.1Å; P333-Y399 VanDerWaalsContact CD-CB 3.47Å; P333-Y399 HydrophobicContact CG-CD1 3.35Å; P333-Y399 HydrophobicContact CG-CE1 4.34Å; P333-Y399 HydrophobicContact CG-CG 3.75Å; P333-E400 WeakPolarHBondContact CB-O 3.38Å; P333-E400 WeakPolarHBondContact CG-O 3.16Å
334	N	85.1	Confident	91.7	Very high	107 Å²	107	23.1 Å²	23.1	57%	0.572	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	27.7	178.5	-49.1	-31.9	0	0	0	114.1	N336 D337 L338	N334-N336 PolarHBondContact O-N 3.42Å; N334-N336 VanDerWaalsContact O-N 3.12Å; N334-D337 HydrophobicContact CB-CB 4.4Å; N334-D337 PolarHBondContact O-N 2.86Å; N334-L338 PolarHBondContact O-N 3.42Å; N334-L338 VanDerWaalsContact O-N 3.14Å
335	F	92.7	Very high	91.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-46	-44.1	175.8	164.2	-104.8	0	0	0	112.7	I44 I229 F326 Y329 L332 P333 D337 L338 L339	I44-F335 HydrophobicContact CB-CD1 4.42Å; I44-F335 HydrophobicContact CB-CE1 4.17Å; I44-F335 HydrophobicContact CD1-CE1 4.22Å; I229-F335 HydrophobicContact CD1-CD2 3.63Å; I229-F335 HydrophobicContact CD1-CE2 3.72Å; I229-F335 HydrophobicContact CG1-CE2 4.42Å; F326-F335 HydrophobicContact CE2-CE1 4.13Å; F326-F335 HydrophobicContact CE2-CE2 4.46Å; F326-F335 AromaticContact CE2-CZ 3.51Å; F326-F335 HydrophobicContact CE2-CZ 3.51Å; F326-F335 HydrophobicContact CZ-CZ 4.01Å; Y329-F335 VanDerWaalsContact CB-CD2 3.43Å; Y329-F335 HydrophobicContact CD1-CD2 4.05Å; Y329-F335 HydrophobicContact CD1-CE2 4.08Å; Y329-F335 AromaticContact CD2-CD2 3.65Å; Y329-F335 HydrophobicContact CD2-CD2 3.65Å; Y329-F335 HydrophobicContact CD2-CE1 4.48Å; Y329-F335 AromaticContact CD2-CE2 3.17Å; Y329-F335 HydrophobicContact CD2-CE2 3.17Å; Y329-F335 HydrophobicContact CD2-CG 4.49Å; Y329-F335 AromaticContact CD2-CZ 3.67Å; Y329-F335 HydrophobicContact CD2-CZ 3.67Å; Y329-F335 HydrophobicContact CE1-CE2 4.37Å; Y329-F335 HydrophobicContact CE2-CD2 4.37Å; Y329-F335 AromaticContact CE2-CE2 3.53Å; Y329-F335 HydrophobicContact CE2-CE2 3.53Å; Y329-F335 AromaticContact CE2-CZ 3.98Å; Y329-F335 HydrophobicContact CE2-CZ 3.98Å; Y329-F335 AromaticContact CG-CD2 3.46Å; Y329-F335 HydrophobicContact CG-CD2 3.46Å; Y329-F335 VanDerWaalsContact CG-CD2 3.46Å; Y329-F335 AromaticContact CG-CE2 3.47Å; Y329-F335 HydrophobicContact CG-CE2 3.47Å; Y329-F335 VanDerWaalsContact CG-CE2 3.47Å; Y329-F335 HydrophobicContact CG-CG 4.32Å; Y329-F335 HydrophobicContact CG-CZ 4.35Å; L332-F335 HydrophobicContact CD2-CD2 4.42Å; P333-F335 PolarHBondContact O-N 3.29Å; P333-F335 VanDerWaalsContact O-N 3.1Å; F335-D337 PolarHBondContact O-N 3.16Å; F335-L338 PolarHBondContact O-N 2.85Å; F335-L339 HydrophobicContact CE1-CD2 4.09Å; F335-L339 HydrophobicContact CE2-CB 4.35Å; F335-L339 HydrophobicContact CZ-CB 4.15Å; F335-L339 HydrophobicContact CZ-CD2 3.85Å; F335-L339 HydrophobicContact CZ-CG 4.41Å; F335-L339 WeakPolarHBondContact O-CB 3.28Å; F335-L339 PolarHBondContact O-N 2.85Å
336	N	94.3	Very high	91.7	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-34.5	-178.1	-66.8	-62.4	0	0	0	112.8	I44 Q45 R48 F49 N334 Y340	I44-N336 PolarHBondContact O-ND2 3.48Å; I44-N336 VanDerWaalsContact O-ND2 3.15Å; Q45-N336 PolarHBondContact O-ND2 3.34Å; R48-N336 HydrophobicContact CB-CB 4.18Å; F49-N336 HydrophobicContact CB-CB 4.01Å; F49-N336 WeakPolarHBondContact CB-OD1 3.3Å; N334-N336 PolarHBondContact O-N 3.42Å; N334-N336 VanDerWaalsContact O-N 3.12Å; N336-Y340 WeakPolarHBondContact O-CB 3.48Å; N336-Y340 PolarHBondContact O-N 3.37Å
337	D	93.4	Very high	91.6	Very high	76 Å²	76	22.6 Å²	22.6	41%	0.406	12%	0.117	S	C	.	.	H	α-helix	trans	-71	-37.7	174.5	-67	-57.4	0	0	0	111.8	N334 F335 Y340 R341	N334-D337 HydrophobicContact CB-CB 4.4Å; N334-D337 PolarHBondContact O-N 2.86Å; F335-D337 PolarHBondContact O-N 3.16Å; D337-Y340 PolarHBondContact O-N 3.12Å; D337-R341 WeakPolarHBondContact O-CB 3.3Å; D337-R341 PolarHBondContact O-N 2.83Å
338	L	93.8	Very high	91.6	Very high	24 Å²	24	28 Å²	28	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175	-67.8	171.7	0	0	0	111.4	I229 F234 L332 N334 F335 R341 F342	I229-L338 HydrophobicContact CD1-CB 3.99Å; F234-L338 HydrophobicContact CE1-CD1 4.34Å; F234-L338 HydrophobicContact CE2-CD1 4.21Å; F234-L338 HydrophobicContact CZ-CD1 3.71Å; F234-L338 HydrophobicContact CZ-CD2 4.43Å; L332-L338 HydrophobicContact CD1-CD1 4.06Å; L332-L338 HydrophobicContact CD2-CD1 3.49Å; L332-L338 VanDerWaalsContact CD2-CD1 3.49Å; L332-L338 HydrophobicContact CG-CD1 3.8Å; N334-L338 PolarHBondContact O-N 3.42Å; N334-L338 VanDerWaalsContact O-N 3.14Å; F335-L338 PolarHBondContact O-N 2.85Å; L338-R341 PolarHBondContact O-N 3.09Å; L338-F342 WeakPolarHBondContact O-CB 3.13Å; L338-F342 PolarHBondContact O-N 3.41Å
339	L	96.8	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.4	-178.6	63.3	0	0	0	111.3	F46 F49 L304 F326 F335 F342 L343	F46-L339 HydrophobicContact CE2-CD2 4.11Å; F49-L339 HydrophobicContact CD2-CB 4.15Å; F49-L339 HydrophobicContact CD2-CD2 3.74Å; F49-L339 HydrophobicContact CD2-CG 3.91Å; F49-L339 HydrophobicContact CE2-CB 4.16Å; F49-L339 HydrophobicContact CE2-CD2 3.79Å; F49-L339 HydrophobicContact CE2-CG 3.62Å; F49-L339 HydrophobicContact CG-CD2 4.12Å; F49-L339 HydrophobicContact CZ-CD2 4.23Å; F49-L339 HydrophobicContact CZ-CG 4.25Å; L304-L339 HydrophobicContact CD1-CD1 3.85Å; L304-L339 HydrophobicContact CD2-CD1 3.79Å; L304-L339 HydrophobicContact CG-CD1 4.5Å; F326-L339 HydrophobicContact CZ-CD2 4.11Å; F335-L339 HydrophobicContact CE1-CD2 4.09Å; F335-L339 HydrophobicContact CE2-CB 4.35Å; F335-L339 HydrophobicContact CZ-CB 4.15Å; F335-L339 HydrophobicContact CZ-CD2 3.85Å; F335-L339 HydrophobicContact CZ-CG 4.41Å; F335-L339 WeakPolarHBondContact O-CB 3.28Å; F335-L339 PolarHBondContact O-N 2.85Å; L339-F342 HydrophobicContact CD1-CD1 4.49Å; L339-F342 PolarHBondContact O-N 3.3Å; L339-L343 WeakPolarHBondContact O-CB 3.19Å; L339-L343 PolarHBondContact O-N 3.26Å
340	Y	96.8	Very high	91.3	Very high	30 Å²	30	34.3 Å²	34.3	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-50	175.5	171.9	-96.3	0	0	0	111.9	K52 E56 M58 N336 D337 F342 L343 V344	K52-Y340 HydrophobicContact CD-CD1 4.49Å; K52-Y340 HydrophobicContact CG-CD1 4.03Å; K52-Y340 HydrophobicContact CG-CD2 3.87Å; K52-Y340 HydrophobicContact CG-CE2 4.42Å; K52-Y340 HydrophobicContact CG-CG 3.67Å; E56-Y340 HydrophobicContact CB-CE2 4.02Å; E56-Y340 WeakPolarHBondContact CB-OH 3.39Å; E56-Y340 HydrophobicContact CG-CE1 4.13Å; E56-Y340 HydrophobicContact CG-CE2 4.06Å; E56-Y340 VanDerWaalsContact CG-OH 3.26Å; E56-Y340 WeakPolarHBondContact CG-OH 3.41Å; M58-Y340 HydrophobicContact CE-CD2 4.43Å; M58-Y340 HydrophobicContact CE-CE2 3.36Å; M58-Y340 VanDerWaalsContact CE-OH 3.28Å; M58-Y340 WeakPolarHBondContact CE-OH 3.48Å; M58-Y340 HydrophobicContact SD-CE2 3.82Å; N336-Y340 WeakPolarHBondContact O-CB 3.48Å; N336-Y340 PolarHBondContact O-N 3.37Å; D337-Y340 PolarHBondContact O-N 3.12Å; Y340-F342 VanDerWaalsContact C-N 3.29Å; Y340-F342 PolarHBondContact O-N 3.07Å; Y340-L343 PolarHBondContact O-N 3.39Å; Y340-V344 HydrophobicContact CD1-CG2 4.16Å; Y340-V344 HydrophobicContact CD2-CG2 4.29Å; Y340-V344 HydrophobicContact CE1-CG2 3.69Å; Y340-V344 HydrophobicContact CE2-CG2 3.84Å; Y340-V344 HydrophobicContact CG-CG2 4.42Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.48Å; Y340-V344 WeakPolarHBondContact O-CG2 3.17Å; Y340-V344 PolarHBondContact O-N 2.91Å
341	R	95.2	Very high	91.3	Very high	85 Å²	85	37.4 Å²	37.4	32%	0.321	18%	0.175	S	C	.	.	H	α-helix	trans	-58.7	-42.9	177.4	179.6	173.5	58.8	76.6	-9.8	111.5	D232 D337 L338 V345	D232-R341 IonicContact OD1-NH1 3.87Å; D232-R341 IonicContact OD1-NH2 2.7Å; D232-R341 IonicContact OD2-CZ 3.83Å; D232-R341 IonicContact OD2-NH1 3.14Å; D232-R341 PolarHBondContact OD2-NH1 3Å; D232-R341 IonicContact OD2-NH2 3.73Å; D232-R341 PolarHBondContact OD2-NH2 3.26Å; D337-R341 WeakPolarHBondContact O-CB 3.3Å; D337-R341 PolarHBondContact O-N 2.83Å; L338-R341 PolarHBondContact O-N 3.09Å; R341-V345 VanDerWaalsContact O-CG2 3.29Å; R341-V345 WeakPolarHBondContact O-CG2 3.44Å; R341-V345 PolarHBondContact O-N 3.3Å; R341-V345 VanDerWaalsContact O-N 3.08Å
342	F	96.2	Very high	91.4	Very high	11 Å²	11	40.7 Å²	40.7	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-49.5	176.3	168.9	-114.2	0	0	0	111.7	L115 I229 L304 L338 L339 Y340 V344 V345 S346	L115-F342 HydrophobicContact CD1-CD1 4.37Å; L115-F342 HydrophobicContact CD1-CE1 3.8Å; L115-F342 HydrophobicContact CD2-CE1 3.92Å; L115-F342 HydrophobicContact CD2-CZ 4.11Å; L115-F342 HydrophobicContact CG-CE1 4.49Å; I229-F342 HydrophobicContact CG2-CB 3.69Å; I229-F342 HydrophobicContact CG2-CD1 4.07Å; I229-F342 HydrophobicContact CG2-CG 3.92Å; L304-F342 HydrophobicContact CD2-CD1 4.03Å; L304-F342 HydrophobicContact CD2-CE1 4.06Å; L304-F342 HydrophobicContact CG-CE1 4.46Å; L338-F342 WeakPolarHBondContact O-CB 3.13Å; L338-F342 PolarHBondContact O-N 3.41Å; L339-F342 HydrophobicContact CD1-CD1 4.49Å; L339-F342 PolarHBondContact O-N 3.3Å; Y340-F342 VanDerWaalsContact C-N 3.29Å; Y340-F342 PolarHBondContact O-N 3.07Å; F342-V344 PolarHBondContact O-N 3.5Å; F342-V345 PolarHBondContact O-N 2.99Å; F342-S346 WeakPolarHBondContact CE2-OG 3.45Å; F342-S346 WeakPolarHBondContact CZ-OG 3.41Å; F342-S346 PolarHBondContact O-N 3.12Å; F342-S346 PolarHBondContact O-OG 3.05Å; F342-S346 VanDerWaalsContact O-OG 3.08Å
343	L	96.8	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.1	-48.7	177.6	176.7	63	0	0	0	111.8	I32 F49 A76 L113 L115 L339 Y340 V345 S346 L347	I32-L343 HydrophobicContact CD1-CD1 4.49Å; I32-L343 HydrophobicContact CD1-CD2 4.09Å; I32-L343 HydrophobicContact CG1-CD2 4.15Å; I32-L343 HydrophobicContact CG2-CD2 4.04Å; F49-L343 HydrophobicContact CE2-CD2 4.49Å; F49-L343 HydrophobicContact CZ-CD2 3.77Å; A76-L343 HydrophobicContact CB-CD1 3.74Å; L113-L343 HydrophobicContact CD2-CD1 4.29Å; L115-L343 HydrophobicContact CD1-CD1 3.92Å; L339-L343 WeakPolarHBondContact O-CB 3.19Å; L339-L343 PolarHBondContact O-N 3.26Å; Y340-L343 PolarHBondContact O-N 3.39Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 3.19Å; L343-S346 PolarHBondContact O-N 2.93Å; L343-L347 HydrophobicContact CD1-CD1 3.91Å; L343-L347 HydrophobicContact CD1-CG 4.11Å; L343-L347 HydrophobicContact CG-CD1 3.85Å; L343-L347 HydrophobicContact CG-CG 4.47Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.36Å; L343-L347 PolarHBondContact O-N 2.84Å
344	V	95.1	Very high	90.9	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.121	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-46.4	178.1	171.3	0	0	0	0	111.5	W30 M58 Y340 F342 K348	W30-V344 HydrophobicContact CH2-CB 4.34Å; W30-V344 HydrophobicContact CH2-CG1 3.83Å; W30-V344 HydrophobicContact CZ3-CB 3.95Å; W30-V344 HydrophobicContact CZ3-CG1 3.82Å; W30-V344 HydrophobicContact CZ3-CG2 3.88Å; M58-V344 HydrophobicContact CE-CG2 3.66Å; Y340-V344 HydrophobicContact CD1-CG2 4.16Å; Y340-V344 HydrophobicContact CD2-CG2 4.29Å; Y340-V344 HydrophobicContact CE1-CG2 3.69Å; Y340-V344 HydrophobicContact CE2-CG2 3.84Å; Y340-V344 HydrophobicContact CG-CG2 4.42Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.48Å; Y340-V344 WeakPolarHBondContact O-CG2 3.17Å; Y340-V344 PolarHBondContact O-N 2.91Å; F342-V344 PolarHBondContact O-N 3.5Å; V344-K348 HydrophobicContact CG1-CD 4.26Å; V344-K348 WeakPolarHBondContact O-CG 3.17Å; V344-K348 PolarHBondContact O-N 2.93Å
345	V	93.9	Very high	90.4	Very high	41 Å²	41	51.5 Å²	51.5	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-42.9	-180	169.1	0	0	0	0	110.6	R341 F342 L343 K348 R349	R341-V345 VanDerWaalsContact O-CG2 3.29Å; R341-V345 WeakPolarHBondContact O-CG2 3.44Å; R341-V345 PolarHBondContact O-N 3.3Å; R341-V345 VanDerWaalsContact O-N 3.08Å; F342-V345 PolarHBondContact O-N 2.99Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 3.19Å; V345-K348 PolarHBondContact O-N 2.77Å; V345-R349 HydrophobicContact CG1-CG 4.49Å; V345-R349 WeakPolarHBondContact O-CG 3.4Å; V345-R349 PolarHBondContact O-N 3.49Å
346	S	94.6	Very high	89.3	Confident	13 Å²	13	60 Å²	60	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-45.2	178.7	-61.8	0	0	0	0	112	L113 F342 L343 K348 R349 Q350	L113-S346 VanDerWaalsContact CD2-CB 3.46Å; F342-S346 WeakPolarHBondContact CE2-OG 3.45Å; F342-S346 WeakPolarHBondContact CZ-OG 3.41Å; F342-S346 PolarHBondContact O-N 3.12Å; F342-S346 PolarHBondContact O-OG 3.05Å; F342-S346 VanDerWaalsContact O-OG 3.08Å; L343-S346 PolarHBondContact O-N 2.93Å; S346-K348 PolarHBondContact O-N 2.9Å; S346-R349 PolarHBondContact O-N 3.38Å; S346-Q350 PolarHBondContact O-N 3.09Å
347	L	94.2	Very high	87.6	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-42.8	175.2	-74.8	169.2	0	0	0	112.6	W30 I32 H75 A76 L343 Q350 R351	W30-L347 HydrophobicContact CB-CD1 4.32Å; W30-L347 HydrophobicContact CD2-CB 4.27Å; W30-L347 HydrophobicContact CD2-CD1 3.58Å; W30-L347 HydrophobicContact CD2-CG 4.49Å; W30-L347 HydrophobicContact CE3-CB 4.34Å; W30-L347 HydrophobicContact CE3-CD1 3.39Å; W30-L347 HydrophobicContact CE3-CG 4.5Å; W30-L347 HydrophobicContact CG-CD1 3.98Å; W30-L347 HydrophobicContact CH2-CB 4.13Å; W30-L347 HydrophobicContact CZ2-CB 3.96Å; W30-L347 HydrophobicContact CZ3-CB 4.3Å; W30-L347 HydrophobicContact CZ3-CD1 3.95Å; I32-L347 HydrophobicContact CD1-CD1 3.74Å; H75-L347 HydrophobicContact CB-CD2 3.83Å; H75-L347 WeakPolarHBondContact O-CD2 3.27Å; A76-L347 HydrophobicContact CB-CD2 4.05Å; L343-L347 HydrophobicContact CD1-CD1 3.91Å; L343-L347 HydrophobicContact CD1-CG 4.11Å; L343-L347 HydrophobicContact CG-CD1 3.85Å; L343-L347 HydrophobicContact CG-CG 4.47Å; L343-L347 WeakPolarHBondContact O-CB 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.36Å; L343-L347 PolarHBondContact O-N 2.84Å; L347-Q350 PolarHBondContact O-N 3.15Å; L347-R351 PolarHBondContact O-N 3.35Å; L347-R351 VanDerWaalsContact O-N 3.07Å
348	K	92.2	Very high	85.7	Confident	124 Å²	124	64 Å²	64	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-40.7	175.9	-74	178.6	179.7	-173.8	0	112.1	W30 V344 V345 S346 T352	W30-K348 HydrophobicContact CH2-CD 4.45Å; W30-K348 HydrophobicContact CH2-CG 3.85Å; W30-K348 HydrophobicContact CZ2-CG 3.94Å; V344-K348 HydrophobicContact CG1-CD 4.26Å; V344-K348 WeakPolarHBondContact O-CG 3.17Å; V344-K348 PolarHBondContact O-N 2.93Å; V345-K348 PolarHBondContact O-N 2.77Å; S346-K348 PolarHBondContact O-N 2.9Å; K348-T352 PolarHBondContact O-N 3.45Å; K348-T352 VanDerWaalsContact O-N 3.14Å; K348-T352 PolarHBondContact O-OG1 3.28Å
349	R	89.5	Confident	83.8	Confident	108 Å²	108	68.2 Å²	68.2	41%	0.408	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-46.5	176.5	-76.6	175.8	176.5	172.6	-1.5	110.8	D231 V345 S346 T352 I353	D231-R349 IonicContact OD2-CZ 3.38Å; D231-R349 IonicContact OD2-NH1 2.66Å; D231-R349 PolarHBondContact OD2-NH1 2.8Å; D231-R349 VanDerWaalsContact OD2-NH1 3.09Å; D231-R349 IonicContact OD2-NH2 2.82Å; D231-R349 PolarHBondContact OD2-NH2 3.26Å; V345-R349 HydrophobicContact CG1-CG 4.49Å; V345-R349 WeakPolarHBondContact O-CG 3.4Å; V345-R349 PolarHBondContact O-N 3.49Å; S346-R349 PolarHBondContact O-N 3.38Å; R349-T352 WeakPolarHBondContact O-CB 3.3Å; R349-T352 PolarHBondContact O-N 3.08Å; R349-T352 VanDerWaalsContact O-N 3.09Å; R349-I353 WeakPolarHBondContact O-CG1 3.27Å; R349-I353 PolarHBondContact O-N 2.85Å
350	Q	86.4	Confident	81.3	Confident	35 Å²	35	73.4 Å²	73.4	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-48.2	179.6	-176	162.3	-6	0	0	112.7	E111 L113 S346 L347 T352 I353 E354	E111-Q350 PolarHBondContact O-NE2 3.2Å; L113-Q350 VanDerWaalsContact CB-OE1 3.23Å; S346-Q350 PolarHBondContact O-N 3.09Å; L347-Q350 PolarHBondContact O-N 3.15Å; Q350-T352 PolarHBondContact O-N 3.26Å; Q350-T352 VanDerWaalsContact O-N 3.17Å; Q350-I353 PolarHBondContact O-N 2.82Å; Q350-E354 WeakPolarHBondContact O-CG 3.4Å; Q350-E354 PolarHBondContact O-N 2.71Å
351	R	85	Confident	78.8	Confident	73 Å²	73	77.9 Å²	77.9	28%	0.275	40%	0.403	S	S	.	.	H	α-helix	trans	-57.2	-32.6	173.1	-77.7	-175	169.5	-178.9	-1.3	113.2	K28 W30 H75 L347 K355	K28-R351 PolarHBondContact O-NH2 3.14Å; W30-R351 VanDerWaalsContact CD1-CZ 3.49Å; W30-R351 VanDerWaalsContact NE1-NH2 3.19Å; H75-R351 PolarHBondContact NE2-NH2 2.66Å; L347-R351 PolarHBondContact O-N 3.35Å; L347-R351 VanDerWaalsContact O-N 3.07Å; R351-K355 WeakPolarHBondContact O-CB 3.49Å; R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.45Å; R351-K355 PolarHBondContact O-N 3.47Å; R351-K355 VanDerWaalsContact O-N 3.15Å
352	T	83.7	Confident	75.9	Confident	69 Å²	69	76 Å²	76	42%	0.423	41%	0.41	S	S	.	.	H	α-helix	trans	-71.8	-38.2	177.5	-54.6	0	0	0	0	111.4	K348 R349 Q350 R356	K348-T352 PolarHBondContact O-N 3.45Å; K348-T352 VanDerWaalsContact O-N 3.14Å; K348-T352 PolarHBondContact O-OG1 3.28Å; R349-T352 WeakPolarHBondContact O-CB 3.3Å; R349-T352 PolarHBondContact O-N 3.08Å; R349-T352 VanDerWaalsContact O-N 3.09Å; Q350-T352 PolarHBondContact O-N 3.26Å; Q350-T352 VanDerWaalsContact O-N 3.17Å; T352-R356 PolarHBondContact O-N 2.9Å; T352-R356 VanDerWaalsContact O-N 3.17Å
353	I	77.8	Confident	73.3	Confident	124 Å²	124	83.4 Å²	83.4	64%	0.636	45%	0.448	S	S	*	.	H	α-helix	trans	-66.5	-45.2	176.5	-66.1	166.1	0	0	0	110.2	R349 Q350 K355 R356 G357	R349-I353 WeakPolarHBondContact O-CG1 3.27Å; R349-I353 PolarHBondContact O-N 2.85Å; Q350-I353 PolarHBondContact O-N 2.82Å; I353-K355 VanDerWaalsContact C-N 3.34Å; I353-K355 PolarHBondContact O-N 2.89Å; I353-R356 PolarHBondContact O-N 2.99Å; I353-R356 VanDerWaalsContact O-N 3.1Å; I353-G357 PolarHBondContact O-N 3.08Å
354	E	75.9	Confident	70.3	Confident	87 Å²	87	86.5 Å²	86.5	41%	0.407	48%	0.48	S	S	.	.	H	α-helix	trans	-58.6	-43.3	176.3	-70.2	166.1	-176.2	0	0	112.2	Q350 R356 G357 T358	Q350-E354 WeakPolarHBondContact O-CG 3.4Å; Q350-E354 PolarHBondContact O-N 2.71Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 3.23Å; E354-G357 PolarHBondContact O-N 3.05Å; E354-T358 PolarHBondContact O-N 3.3Å; E354-T358 PolarHBondContact O-OG1 3.3Å
355	K	74.8	Confident	67.3	Low	142 Å²	142	91.5 Å²	91.5	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-29.7	175.8	-76.5	-177.3	178.5	-167.8	0	113.6	R351 I353 T358 V359	R351-K355 WeakPolarHBondContact O-CB 3.49Å; R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.45Å; R351-K355 PolarHBondContact O-N 3.47Å; R351-K355 VanDerWaalsContact O-N 3.15Å; I353-K355 VanDerWaalsContact C-N 3.34Å; I353-K355 PolarHBondContact O-N 2.89Å; K355-T358 WeakPolarHBondContact CA-OG1 3.38Å; K355-T358 PolarHBondContact O-OG1 3Å; K355-T358 VanDerWaalsContact O-OG1 3.09Å; K355-V359 VanDerWaalsContact O-CG2 3.29Å; K355-V359 WeakPolarHBondContact O-CG2 3.12Å
356	R	69.8	Low	64.3	Low	180 Å²	180	95.4 Å²	95.4	68%	0.679	55%	0.545	S	S	*	.	H	α-helix	trans	-80.2	-42.2	175.9	-74	-179.1	179.9	-177.6	-1.4	112	T352 I353 E354 T358 V359 D360	T352-R356 PolarHBondContact O-N 2.9Å; T352-R356 VanDerWaalsContact O-N 3.17Å; I353-R356 PolarHBondContact O-N 2.99Å; I353-R356 VanDerWaalsContact O-N 3.1Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 3.23Å; R356-T358 PolarHBondContact O-N 3.18Å; R356-T358 VanDerWaalsContact O-N 3.15Å; R356-V359 PolarHBondContact O-N 3.47Å; R356-D360 PolarHBondContact O-N 2.74Å; R356-D360 VanDerWaalsContact O-N 3.11Å
357	G	56.8	Low	61.5	Low	62 Å²	62	99.8 Å²	99.8	64%	0.639	58%	0.582	S	S	*	*	H	α-helix	trans	-61.9	-21.3	177	0	0	0	0	0	113.9	I353 E354	I353-G357 PolarHBondContact O-N 3.08Å; E354-G357 PolarHBondContact O-N 3.05Å
358	T	55.5	Low	58.6	Low	109 Å²	109	108.2 Å²	108.2	67%	0.669	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-14.7	175.5	39.4	0	0	0	0	114.2	E354 K355 R356	E354-T358 PolarHBondContact O-N 3.3Å; E354-T358 PolarHBondContact O-OG1 3.3Å; K355-T358 WeakPolarHBondContact CA-OG1 3.38Å; K355-T358 PolarHBondContact O-OG1 3Å; K355-T358 VanDerWaalsContact O-OG1 3.09Å; R356-T358 PolarHBondContact O-N 3.18Å; R356-T358 VanDerWaalsContact O-N 3.15Å
359	V	52.5	Low	56.2	Low	113 Å²	113	106.7 Å²	106.7	69%	0.685	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-26.7	-178.5	178.7	0	0	0	0	112.3	K355 R356 S361	K355-V359 VanDerWaalsContact O-CG2 3.29Å; K355-V359 WeakPolarHBondContact O-CG2 3.12Å; R356-V359 PolarHBondContact O-N 3.47Å; V359-S361 PolarHBondContact O-N 3.34Å
360	D	45	Very low	54.1	Low	110 Å²	110	107.7 Å²	107.7	59%	0.588	64%	0.64	S	S	*	*			trans	-96.8	29.7	-173.9	-88.7	-19	0	0	0	115.4	R356 G362	R356-D360 PolarHBondContact O-N 2.74Å; R356-D360 VanDerWaalsContact O-N 3.11Å; D360-G362 PolarHBondContact O-N 3.48Å
361	S	43.3	Very low	51.9	Low	124 Å²	124	111.5 Å²	111.5	87%	0.867	66%	0.661	S	S	*	*	S	Bend	trans	-69.2	7.4	168.2	56	0	0	0	0	113.9	V359	V359-S361 PolarHBondContact O-N 3.34Å
362	G	36	Very low	50	Low	46 Å²	46	110.3 Å²	110.3	47%	0.474	66%	0.664	S	S	.	*	S	Bend	trans	-143.2	120.1	166.1	0	0	0	0	0	111.2	D360	D360-G362 PolarHBondContact O-N 3.48Å
363	I	40.8	Very low	48.4	Very low	166 Å²	166	111.5 Å²	111.5	85%	0.851	67%	0.668	S	S	*	*	S	Bend	trans	107.4	121.1	172	-55.9	161.8	0	0	0	113.3
364	G	33.6	Very low	46.8	Very low	65 Å²	65	106 Å²	106	67%	0.67	64%	0.64	S	S	*	*			trans	-81.2	153.8	-163.8	0	0	0	0	0	116.6
365	S	31.5	Very low	45.3	Very low	125 Å²	125	106.9 Å²	106.9	87%	0.874	64%	0.644	S	S	*	*			trans	39.4	99.5	143.9	67.3	0	0	0	0	118.6
366	S	32.3	Very low	44.3	Very low	123 Å²	123	105.9 Å²	105.9	86%	0.86	64%	0.64	S	S	*	*			trans	-156.2	84.8	141.3	64.7	0	0	0	0	110.7
367	A	35.2	Very low	43.5	Very low	104 Å²	104	102.5 Å²	102.5	86%	0.86	63%	0.63	S	S	*	*			trans	-128.8	61.7	170.2	0	0	0	0	0	109.5
368	E	34.1	Very low	42.9	Very low	184 Å²	184	101.2 Å²	101.2	86%	0.86	61%	0.608	S	S	*	*			trans	-127.7	8.1	179.6	-76.1	-169.9	154.1	0	0	114.3
369	S	39.8	Very low	42.7	Very low	91 Å²	91	101.7 Å²	101.7	64%	0.636	60%	0.601	S	S	*	*	S	Bend	trans	-85.1	-21.3	-172.7	65.5	0	0	0	0	116.4
370	D	45.8	Very low	42.8	Very low	130 Å²	130	102.2 Å²	102.2	70%	0.695	60%	0.596	S	S	*	*	S	Bend	trans	-90.5	-13.6	-170.7	-76.9	2	0	0	0	114.3	S374	D370-S374 PolarHBondContact O-OG 2.74Å
371	N	40.4	Very low	42.9	Very low	114 Å²	114	99.2 Å²	99.2	61%	0.61	58%	0.58	S	S	*	*	H	α-helix	trans	-78.2	-36.6	-175.6	-144.3	17.2	0	0	0	112.2	D373	N371-D373 PolarHBondContact O-N 3.29Å
372	S	44.8	Very low	42.6	Very low	48 Å²	48	96.6 Å²	96.6	34%	0.336	56%	0.556	S	S	.	*	H	α-helix	trans	-70.5	-32.3	-174.7	99.4	0	0	0	0	113.5	K376	S372-K376 WeakPolarHBondContact O-CB 3.33Å; S372-K376 VanDerWaalsContact O-CD 3.28Å; S372-K376 WeakPolarHBondContact O-CD 3.32Å; S372-K376 WeakPolarHBondContact O-CG 3.33Å; S372-K376 PolarHBondContact O-N 2.8Å; S372-K376 VanDerWaalsContact O-N 3.07Å; S372-K376 PolarHBondContact OG-NZ 3.32Å
373	D	50.3	Low	43.1	Very low	95 Å²	95	102 Å²	102	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-76.4	-28.9	-174.4	-90.2	4.2	0	0	0	113.1	N371 K377	N371-D373 PolarHBondContact O-N 3.29Å; D373-K377 VanDerWaalsContact O-CB 3.27Å; D373-K377 WeakPolarHBondContact O-CB 3.37Å; D373-K377 VanDerWaalsContact O-CG 3.25Å; D373-K377 WeakPolarHBondContact O-CG 3.32Å; D373-K377 PolarHBondContact O-N 3.39Å
374	S	45.3	Very low	43.2	Very low	8 Å²	8	100 Å²	100	6%	0.056	56%	0.555	C	S	.	*	H	α-helix	trans	-76.6	-46	-178.4	-54.6	0	0	0	0	111	R294 E295 K298 D370 K377 L378	R294-S374 PolarHBondContact NH2-OG 3Å; E295-S374 VanDerWaalsContact OE1-CB 3.29Å; E295-S374 WeakPolarHBondContact OE1-CB 3.41Å; K298-S374 VanDerWaalsContact NZ-CB 3.32Å; K298-S374 PolarHBondContact NZ-OG 2.88Å; D370-S374 PolarHBondContact O-OG 2.74Å; S374-K377 PolarHBondContact O-N 3.34Å; S374-L378 PolarHBondContact O-N 3.22Å
375	E	44.1	Very low	43.4	Very low	106 Å²	106	101.8 Å²	101.8	50%	0.495	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-41.4	176.8	-159.3	-169.1	148.5	0	0	111.4	K377 L378 K379	E375-K377 PolarHBondContact O-N 2.85Å; E375-L378 PolarHBondContact O-N 2.89Å; E375-K379 HydrophobicContact CG-CD 4.48Å; E375-K379 WeakPolarHBondContact O-CB 3.44Å; E375-K379 WeakPolarHBondContact O-CG 3.32Å; E375-K379 PolarHBondContact O-N 3.01Å; E375-K379 IonicContact OE1-NZ 2.79Å; E375-K379 PolarHBondContact OE1-NZ 3.22Å
376	K	53.5	Low	43.6	Very low	120 Å²	120	100.7 Å²	100.7	52%	0.522	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-41.7	173.2	-76.2	170.3	-173.3	162.6	0	112.3	S372 K379 Q380	S372-K376 WeakPolarHBondContact O-CB 3.33Å; S372-K376 VanDerWaalsContact O-CD 3.28Å; S372-K376 WeakPolarHBondContact O-CD 3.32Å; S372-K376 WeakPolarHBondContact O-CG 3.33Å; S372-K376 PolarHBondContact O-N 2.8Å; S372-K376 VanDerWaalsContact O-N 3.07Å; S372-K376 PolarHBondContact OG-NZ 3.32Å; K376-K379 PolarHBondContact O-N 2.91Å; K376-Q380 WeakPolarHBondContact O-CB 3.11Å; K376-Q380 WeakPolarHBondContact O-CG 3.37Å; K376-Q380 PolarHBondContact O-N 3.12Å
377	K	54	Low	43.6	Very low	110 Å²	110	102.8 Å²	102.8	48%	0.478	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-41.5	176.9	-83.4	177.9	178.2	-177.5	0	112.1	D373 S374 E375 Q380 L381	D373-K377 VanDerWaalsContact O-CB 3.27Å; D373-K377 WeakPolarHBondContact O-CB 3.37Å; D373-K377 VanDerWaalsContact O-CG 3.25Å; D373-K377 WeakPolarHBondContact O-CG 3.32Å; D373-K377 PolarHBondContact O-N 3.39Å; S374-K377 PolarHBondContact O-N 3.34Å; E375-K377 PolarHBondContact O-N 2.85Å; K377-Q380 PolarHBondContact O-N 3.43Å; K377-L381 WeakPolarHBondContact O-CB 3.38Å; K377-L381 VanDerWaalsContact O-CG 3.27Å; K377-L381 WeakPolarHBondContact O-CG 3.1Å; K377-L381 PolarHBondContact O-N 3.49Å
378	L	42.9	Very low	43.3	Very low	35 Å²	35	103.3 Å²	103.3	18%	0.183	55%	0.548	C	S	.	.	H	α-helix	trans	-63.4	-44.1	175.8	-163.3	73.4	0	0	0	111	P142 V291 S374 E375 Q380 L381 L382	P142-L378 HydrophobicContact CG-CD1 4.28Å; V291-L378 HydrophobicContact CG1-CB 4.48Å; V291-L378 HydrophobicContact CG1-CD1 3.76Å; S374-L378 PolarHBondContact O-N 3.22Å; E375-L378 PolarHBondContact O-N 2.89Å; L378-Q380 PolarHBondContact O-N 3.14Å; L378-L381 PolarHBondContact O-N 2.82Å; L378-L382 WeakPolarHBondContact O-CD1 3.02Å; L378-L382 WeakPolarHBondContact O-CG 3.19Å; L378-L382 PolarHBondContact O-N 3.03Å
379	K	51.8	Low	43.1	Very low	118 Å²	118	98.1 Å²	98.1	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-33.7	174.5	-74.5	175.2	171.7	168.6	0	113.9	E375 K376 L382 H383	E375-K379 HydrophobicContact CG-CD 4.48Å; E375-K379 WeakPolarHBondContact O-CB 3.44Å; E375-K379 WeakPolarHBondContact O-CG 3.32Å; E375-K379 PolarHBondContact O-N 3.01Å; E375-K379 IonicContact OE1-NZ 2.79Å; E375-K379 PolarHBondContact OE1-NZ 3.22Å; K376-K379 PolarHBondContact O-N 2.91Å; K379-L382 WeakPolarHBondContact O-CB 3.48Å; K379-H383 PolarHBondContact O-ND1 3.09Å
380	Q	54.1	Low	42.6	Very low	124 Å²	124	102.6 Å²	102.6	58%	0.579	54%	0.542	S	S	*	.	H	α-helix	trans	-71.8	-41.8	173.2	-85.4	-179.7	-16.9	0	0	112.4	K376 K377 L378 L382 H383 Q384	K376-Q380 WeakPolarHBondContact O-CB 3.11Å; K376-Q380 WeakPolarHBondContact O-CG 3.37Å; K376-Q380 PolarHBondContact O-N 3.12Å; K377-Q380 PolarHBondContact O-N 3.43Å; L378-Q380 PolarHBondContact O-N 3.14Å; Q380-L382 PolarHBondContact O-N 3.25Å; Q380-H383 PolarHBondContact O-N 3.05Å; Q380-H383 VanDerWaalsContact O-N 3.07Å; Q380-Q384 PolarHBondContact O-N 3.05Å
381	L	48.2	Very low	41.9	Very low	48 Å²	48	103.7 Å²	103.7	25%	0.251	55%	0.547	S	S	.	.	H	α-helix	trans	-62.1	-34.7	175.9	-71.3	168.5	0	0	0	111.3	D287 V291 K377 L378 H383 Q384 S385	D287-L381 HydrophobicContact CB-CD1 4.33Å; V291-L381 HydrophobicContact CG2-CD1 4.33Å; K377-L381 WeakPolarHBondContact O-CB 3.38Å; K377-L381 VanDerWaalsContact O-CG 3.27Å; K377-L381 WeakPolarHBondContact O-CG 3.1Å; K377-L381 PolarHBondContact O-N 3.49Å; L378-L381 PolarHBondContact O-N 2.82Å; L381-H383 PolarHBondContact O-N 3.5Å; L381-Q384 PolarHBondContact O-N 3.08Å; L381-S385 PolarHBondContact O-N 3.18Å
382	L	36.9	Very low	41.5	Very low	69 Å²	69	103.3 Å²	103.3	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-59.9	-27.6	173	-77.8	160.3	0	0	0	113.9	P142 L378 K379 Q380	P142-L382 HydrophobicContact CB-CD2 4.33Å; L378-L382 WeakPolarHBondContact O-CD1 3.02Å; L378-L382 WeakPolarHBondContact O-CG 3.19Å; L378-L382 PolarHBondContact O-N 3.03Å; K379-L382 WeakPolarHBondContact O-CB 3.48Å; Q380-L382 PolarHBondContact O-N 3.25Å
383	H	45.5	Very low	40.8	Very low	160 Å²	160	104.3 Å²	104.3	74%	0.741	57%	0.571	S	S	*	*	H	α-helix	trans	-89.6	-12	178.1	-82.4	66	0	0	0	113.9	K379 Q380 L381	K379-H383 PolarHBondContact O-ND1 3.09Å; Q380-H383 PolarHBondContact O-N 3.05Å; Q380-H383 VanDerWaalsContact O-N 3.07Å; L381-H383 PolarHBondContact O-N 3.5Å
384	Q	44.1	Very low	40.4	Very low	123 Å²	123	106 Å²	106	58%	0.575	58%	0.576	S	S	*	*	H	α-helix	trans	-99	-20.1	-177.2	-69.6	-179.3	-5.2	0	0	113	Q380 L381 S386 K387	Q380-Q384 PolarHBondContact O-N 3.05Å; L381-Q384 PolarHBondContact O-N 3.08Å; Q384-S386 PolarHBondContact O-N 3.11Å; Q384-S386 VanDerWaalsContact O-N 3.16Å; Q384-K387 PolarHBondContact O-N 3.14Å
385	S	36.8	Very low	40.4	Very low	103 Å²	103	111.2 Å²	111.2	72%	0.72	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-2.2	-178.6	89.8	0	0	0	0	115	L381	L381-S385 PolarHBondContact O-N 3.18Å
386	S	36.7	Very low	40.7	Very low	101 Å²	101	110.4 Å²	110.4	71%	0.706	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.9	175.7	67.6	0	0	0	0	114.4	Q384	Q384-S386 PolarHBondContact O-N 3.11Å; Q384-S386 VanDerWaalsContact O-N 3.16Å
387	K	31.9	Very low	40.8	Very low	168 Å²	168	106.5 Å²	106.5	73%	0.73	59%	0.592	S	S	*	*	S	Bend	trans	-124.2	120.6	171.2	-72	-177.5	179.3	178.7	0	108.4	Q384 S389	Q384-K387 PolarHBondContact O-N 3.14Å; K387-S389 PolarHBondContact O-N 3.14Å
388	A	27.6	Very low	40.9	Very low	115 Å²	115	105.2 Å²	105.2	95%	0.95	59%	0.59	S	S	*	*			trans	-61.4	80.9	167	0	0	0	0	0	109.1
389	S	30.1	Very low	41.6	Very low	74 Å²	74	106.9 Å²	106.9	52%	0.517	59%	0.594	S	S	.	*			trans	-93.3	120.1	166.7	58.1	0	0	0	0	107.3	K387 L391	K387-S389 PolarHBondContact O-N 3.14Å; S389-L391 VanDerWaalsContact C-N 3.29Å; S389-L391 PolarHBondContact O-N 2.91Å
390	H	28.9	Very low	41.7	Very low	185 Å²	185	105.8 Å²	105.8	86%	0.856	59%	0.591	S	S	*	*			trans	-46.8	94.5	159.9	-83.2	-84.4	0	0	0	109.6	S392	H390-S392 PolarHBondContact O-N 3.2Å
391	L	32.6	Very low	42	Very low	154 Å²	154	100.2 Å²	100.2	81%	0.806	57%	0.565	S	S	*	*			trans	-80.7	73	161.3	-80.7	162.4	0	0	0	106.7	S389 G393	S389-L391 VanDerWaalsContact C-N 3.29Å; S389-L391 PolarHBondContact O-N 2.91Å; L391-G393 PolarHBondContact O-N 2.96Å
392	S	30.4	Very low	42.9	Very low	105 Å²	105	99.6 Å²	99.6	73%	0.734	56%	0.562	S	S	*	*			trans	-67.3	113.6	162.4	54.2	0	0	0	0	108.2	H390	H390-S392 PolarHBondContact O-N 3.2Å
393	G	32	Very low	44.3	Very low	69 Å²	69	103.1 Å²	103.1	71%	0.711	57%	0.571	S	S	*	*			trans	89	96.5	155.1	0	0	0	0	0	116.8	L391	L391-G393 PolarHBondContact O-N 2.96Å
394	E	41.2	Very low	45.5	Very low	131 Å²	131	101.3 Å²	101.3	61%	0.612	56%	0.563	S	S	*	*	S	Bend	trans	-140.9	104.6	134.6	-75	-160.5	173.5	0	0	108.3	I396 S426	E394-I396 PolarHBondContact O-N 2.97Å; E394-S426 PolarHBondContact OE2-OG 2.88Å; E394-S426 VanDerWaalsContact OE2-OG 3.13Å
395	N	44.1	Very low	46.7	Very low	117 Å²	117	95.8 Å²	95.8	63%	0.626	54%	0.537	S	S	*	.			trans	17.2	71.3	167.6	-66.5	-40.8	0	0	0	118.1	A397 P427	N395-A397 PolarHBondContact O-N 3.32Å; N395-P427 HydrophobicContact CB-CG 3.65Å; N395-P427 WeakPolarHBondContact ND2-CG 3.44Å
396	I	52.1	Low	48.1	Very low	89 Å²	89	91 Å²	91	46%	0.456	50%	0.503	S	S	.	.			trans	-72.5	111.1	167.3	-70.3	165.4	0	0	0	108.6	E394 L398 I422	E394-I396 PolarHBondContact O-N 2.97Å; I396-L398 HydrophobicContact CG2-CD2 4.1Å; I396-L398 HydrophobicContact CG2-CG 4.21Å; I396-I422 HydrophobicContact CG1-CG2 4.36Å; I396-I422 HydrophobicContact CG2-CB 4.26Å; I396-I422 HydrophobicContact CG2-CG1 3.93Å; I396-I422 HydrophobicContact CG2-CG2 3.6Å
397	A	55.5	Low	49.5	Very low	38 Å²	38	92.4 Å²	92.4	31%	0.314	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.3	167.3	0	0	0	0	0	109	N395 Y399 S423	N395-A397 PolarHBondContact O-N 3.32Å; A397-Y399 HydrophobicContact CB-CE2 3.77Å; A397-Y399 WeakPolarHBondContact O-CD2 3.46Å; A397-S423 PolarHBondContact O-N 3.36Å
398	L	56	Low	51.2	Low	83 Å²	83	90.8 Å²	90.8	44%	0.435	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131	173.2	-68.8	170.9	0	0	0	109.7	I396 L420 I422	I396-L398 HydrophobicContact CG2-CD2 4.1Å; I396-L398 HydrophobicContact CG2-CG 4.21Å; L398-L420 HydrophobicContact CB-CD2 4.38Å; L398-L420 HydrophobicContact CD1-CD1 4.47Å; L398-L420 HydrophobicContact CD2-CB 4.1Å; L398-L420 HydrophobicContact CD2-CD1 4.22Å; L398-I422 HydrophobicContact CD2-CD1 4.1Å; L398-I422 HydrophobicContact CD2-CG1 3.46Å; L398-I422 VanDerWaalsContact CD2-CG1 3.46Å
399	Y	57.2	Low	52.8	Low	71 Å²	71	87.9 Å²	87.9	28%	0.278	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	-179.9	-70	-76.3	0	0	0	110	F234 P333 A397 C421	F234-Y399 HydrophobicContact CD1-CE2 4.35Å; F234-Y399 HydrophobicContact CE1-CE2 4.18Å; P333-Y399 VanDerWaalsContact CD-CB 3.47Å; P333-Y399 HydrophobicContact CG-CD1 3.35Å; P333-Y399 HydrophobicContact CG-CE1 4.34Å; P333-Y399 HydrophobicContact CG-CG 3.75Å; A397-Y399 HydrophobicContact CB-CE2 3.77Å; A397-Y399 WeakPolarHBondContact O-CD2 3.46Å; Y399-C421 WeakPolarHBondContact CB-O 3.5Å; Y399-C421 PolarHBondContact N-O 3.07Å; Y399-C421 PolarHBondContact O-N 3.32Å
400	E	54.4	Low	54.4	Low	94 Å²	94	87.2 Å²	87.2	44%	0.439	44%	0.441	S	S	.	.			trans	-77.9	136.5	163.9	-70.3	-149.5	166.7	0	0	110.1	P333 R403 L420	P333-E400 WeakPolarHBondContact CB-O 3.38Å; P333-E400 WeakPolarHBondContact CG-O 3.16Å; E400-R403 IonicContact OE1-NH2 2.71Å; E400-R403 IonicContact OE2-CZ 3.77Å; E400-R403 IonicContact OE2-NE 3.85Å; E400-R403 PolarHBondContact OE2-NE 2.85Å; E400-R403 IonicContact OE2-NH2 3.97Å; E400-R403 PolarHBondContact OE2-NH2 2.78Å; E400-L420 HydrophobicContact CG-CD2 4.2Å
401	P	59.1	Low	55.7	Low	8 Å²	8	81.1 Å²	81.1	5%	0.052	43%	0.427	C	S	.	.			trans	-60.2	149.2	174.1	-23	32.8	0	0	0	112.6	R403 L406 Q419	P401-R403 PolarHBondContact O-N 3.06Å; P401-L406 HydrophobicContact CB-CD1 3.39Å; P401-L406 HydrophobicContact CB-CG 4.34Å; P401-L406 HydrophobicContact CG-CD1 4.27Å; P401-Q419 VanDerWaalsContact CD-O 3.3Å; P401-Q419 WeakPolarHBondContact CD-O 3.35Å; P401-Q419 WeakPolarHBondContact CG-O 3.46Å
402	D	66.8	Low	56.8	Low	34 Å²	34	75.5 Å²	75.5	18%	0.182	40%	0.398	C	S	.	.			trans	-63.8	97.5	171.8	-178.2	-23.9	0	0	0	109.3	R48 E404 R405 L406	R48-D402 IonicContact CZ-OD2 3.42Å; R48-D402 IonicContact NH1-OD2 2.78Å; R48-D402 PolarHBondContact NH1-OD2 2.87Å; R48-D402 IonicContact NH2-OD2 3.81Å; D402-E404 VanDerWaalsContact C-N 3.28Å; D402-E404 PolarHBondContact O-N 2.96Å; D402-E404 PolarHBondContact OD1-N 2.81Å; D402-E404 VanDerWaalsContact OD1-N 3.14Å; D402-R405 HydrophobicContact CB-CB 3.78Å; D402-R405 VanDerWaalsContact CG-CB 3.43Å; D402-R405 WeakPolarHBondContact O-CB 3.4Å; D402-R405 PolarHBondContact O-N 2.95Å; D402-R405 PolarHBondContact OD1-N 2.87Å; D402-L406 WeakPolarHBondContact O-CG 3.43Å; D402-L406 PolarHBondContact O-N 3.3Å
403	R	66.8	Low	57.8	Low	144 Å²	144	74 Å²	74	54%	0.543	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-34.7	-174.7	-63.9	-170.6	-173.4	-159.1	3.5	112.2	E400 P401 L406 K407	E400-R403 IonicContact OE1-NH2 2.71Å; E400-R403 IonicContact OE2-CZ 3.77Å; E400-R403 IonicContact OE2-NE 3.85Å; E400-R403 PolarHBondContact OE2-NE 2.85Å; E400-R403 IonicContact OE2-NH2 3.97Å; E400-R403 PolarHBondContact OE2-NH2 2.78Å; P401-R403 PolarHBondContact O-N 3.06Å; R403-L406 PolarHBondContact O-N 3.35Å; R403-K407 WeakPolarHBondContact O-CB 3.28Å; R403-K407 PolarHBondContact O-N 3.08Å
404	E	70.2	Confident	58.3	Low	122 Å²	122	81.3 Å²	81.3	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-68	-45.4	177.8	-76.5	-58.7	134.7	0	0	110.7	D402 L406 K407 K408	D402-E404 VanDerWaalsContact C-N 3.28Å; D402-E404 PolarHBondContact O-N 2.96Å; D402-E404 PolarHBondContact OD1-N 2.81Å; D402-E404 VanDerWaalsContact OD1-N 3.14Å; E404-L406 PolarHBondContact O-N 2.78Å; E404-K407 PolarHBondContact O-N 2.77Å; E404-K408 VanDerWaalsContact O-CB 3.23Å; E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 PolarHBondContact O-N 3.14Å
405	R	71.2	Confident	58.4	Low	7 Å²	7	80.9 Å²	80.9	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-58.4	-48.8	173.7	-178.5	179.5	171.5	-148.1	-11.3	111	K43 Q45 S328 Y329 D402 K408 Y409	K43-R405 PolarHBondContact O-NE 2.92Å; K43-R405 PolarHBondContact O-NH2 3.31Å; Q45-R405 HydrophobicContact CG-CG 4.23Å; S328-R405 PolarHBondContact O-NH2 2.82Å; Y329-R405 PolarHBondContact O-NH1 3.45Å; D402-R405 HydrophobicContact CB-CB 3.78Å; D402-R405 VanDerWaalsContact CG-CB 3.43Å; D402-R405 WeakPolarHBondContact O-CB 3.4Å; D402-R405 PolarHBondContact O-N 2.95Å; D402-R405 PolarHBondContact OD1-N 2.87Å; R405-K408 PolarHBondContact O-N 3.36Å; R405-Y409 HydrophobicContact CG-CD2 4.12Å; R405-Y409 HydrophobicContact CG-CE2 4.26Å; R405-Y409 WeakPolarHBondContact O-CD2 3.44Å; R405-Y409 PolarHBondContact O-N 3.2Å
406	L	65	Low	58.6	Low	3 Å²	3	77.4 Å²	77.4	2%	0.016	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-43.8	-179.9	-71.5	-179.9	0	0	0	112.9	I262 D330 P401 D402 R403 E404 K408 Y409 Y410 I412	I262-L406 HydrophobicContact CD1-CD1 3.85Å; I262-L406 HydrophobicContact CD1-CD2 3.42Å; I262-L406 VanDerWaalsContact CD1-CD2 3.42Å; I262-L406 HydrophobicContact CD1-CG 4.31Å; I262-L406 HydrophobicContact CG2-CD1 4.47Å; D330-L406 HydrophobicContact CB-CD2 3.76Å; P401-L406 HydrophobicContact CB-CD1 3.39Å; P401-L406 HydrophobicContact CB-CG 4.34Å; P401-L406 HydrophobicContact CG-CD1 4.27Å; D402-L406 WeakPolarHBondContact O-CG 3.43Å; D402-L406 PolarHBondContact O-N 3.3Å; R403-L406 PolarHBondContact O-N 3.35Å; E404-L406 PolarHBondContact O-N 2.78Å; L406-K408 VanDerWaalsContact C-N 3.34Å; L406-K408 PolarHBondContact O-N 2.87Å; L406-Y409 PolarHBondContact O-N 3.43Å; L406-Y410 HydrophobicContact CB-CD2 4.48Å; L406-Y410 HydrophobicContact CD2-CD2 3.62Å; L406-Y410 HydrophobicContact CD2-CE2 3.64Å; L406-Y410 WeakPolarHBondContact O-CA 3.41Å; L406-Y410 WeakPolarHBondContact O-CB 3.4Å; L406-Y410 PolarHBondContact O-N 2.84Å; L406-I412 HydrophobicContact CB-CD1 3.39Å; L406-I412 HydrophobicContact CB-CG1 4.11Å; L406-I412 HydrophobicContact CD1-CD1 3.64Å; L406-I412 HydrophobicContact CG-CD1 4.05Å
407	K	66.7	Low	58.4	Low	129 Å²	129	80 Å²	80	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-61.3	-43.7	177.5	-176.3	-178.7	176.5	-170.2	0	111.1	R403 E404 Y409 G411	R403-K407 WeakPolarHBondContact O-CB 3.28Å; R403-K407 PolarHBondContact O-N 3.08Å; E404-K407 PolarHBondContact O-N 2.77Å; K407-Y409 VanDerWaalsContact C-N 3.32Å; K407-Y409 PolarHBondContact O-N 3.38Å; K407-G411 WeakPolarHBondContact O-CA 3.43Å; K407-G411 PolarHBondContact O-N 3.42Å
408	K	67.1	Low	58.2	Low	134 Å²	134	79.8 Å²	79.8	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-34.3	178.9	-174.5	175.6	-179.3	177.1	0	113.3	E404 R405 L406	E404-K408 VanDerWaalsContact O-CB 3.23Å; E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 PolarHBondContact O-N 3.14Å; R405-K408 PolarHBondContact O-N 3.36Å; L406-K408 VanDerWaalsContact C-N 3.34Å; L406-K408 PolarHBondContact O-N 2.87Å
409	Y	62	Low	58.3	Low	54 Å²	54	76 Å²	76	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-101.5	-34.7	-176.1	-70.7	-61.8	0	0	0	115.6	K42 K43 Q45 R405 L406 K407	K42-Y409 VanDerWaalsContact C-CE1 3.45Å; K42-Y409 WeakPolarHBondContact CA-OH 3.28Å; K42-Y409 HydrophobicContact CB-CE1 3.55Å; K42-Y409 HydrophobicContact CD-CE1 3.74Å; K42-Y409 HydrophobicContact CG-CE1 3.58Å; K42-Y409 VanDerWaalsContact CG-OH 3.24Å; K42-Y409 WeakPolarHBondContact CG-OH 3.19Å; K42-Y409 WeakPolarHBondContact O-CE2 3.07Å; K42-Y409 PolarHBondContact O-OH 2.78Å; K43-Y409 HydrophobicContact CB-CD1 4.49Å; K43-Y409 HydrophobicContact CG-CG 4.49Å; Q45-Y409 HydrophobicContact CG-CE2 4.23Å; R405-Y409 HydrophobicContact CG-CD2 4.12Å; R405-Y409 HydrophobicContact CG-CE2 4.26Å; R405-Y409 WeakPolarHBondContact O-CD2 3.44Å; R405-Y409 PolarHBondContact O-N 3.2Å; L406-Y409 PolarHBondContact O-N 3.43Å; K407-Y409 VanDerWaalsContact C-N 3.32Å; K407-Y409 PolarHBondContact O-N 3.38Å
410	Y	62.7	Low	58.4	Low	61 Å²	61	74.2 Å²	74.2	24%	0.239	36%	0.363	C	S	.	.	H	α-helix	trans	-111	-11.2	-173.7	-60	-65.9	0	0	0	113.3	K43 K261 D330 L406	K43-Y410 WeakPolarHBondContact CE-OH 3.33Å; K43-Y410 PolarHBondContact NZ-OH 3.25Å; K261-Y410 HydrophobicContact CD-CD1 4.41Å; K261-Y410 HydrophobicContact CD-CE1 4.06Å; D330-Y410 HydrophobicContact CB-CE2 3.99Å; D330-Y410 WeakPolarHBondContact OD2-CE2 3.43Å; D330-Y410 PolarHBondContact OD2-OH 2.98Å; L406-Y410 HydrophobicContact CB-CD2 4.48Å; L406-Y410 HydrophobicContact CD2-CD2 3.62Å; L406-Y410 HydrophobicContact CD2-CE2 3.64Å; L406-Y410 WeakPolarHBondContact O-CA 3.41Å; L406-Y410 WeakPolarHBondContact O-CB 3.4Å; L406-Y410 PolarHBondContact O-N 2.84Å
411	G	55.7	Low	59.1	Low	56 Å²	56	69.8 Å²	69.8	58%	0.577	34%	0.342	S	S	*	.			trans	64.8	44.2	-179.7	0	0	0	0	0	113.2	K407	K407-G411 WeakPolarHBondContact O-CA 3.43Å; K407-G411 PolarHBondContact O-N 3.42Å
412	I	57.2	Low	59.8	Low	37 Å²	37	69.9 Å²	69.9	19%	0.19	34%	0.342	C	S	.	.			trans	-54.7	128.3	-170.4	-66.1	-163.9	0	0	0	112.7	I262 L406 F416	I262-I412 HydrophobicContact CG2-CD1 3.41Å; I262-I412 VanDerWaalsContact CG2-CD1 3.41Å; I262-I412 HydrophobicContact CG2-CG1 4.28Å; L406-I412 HydrophobicContact CB-CD1 3.39Å; L406-I412 HydrophobicContact CB-CG1 4.11Å; L406-I412 HydrophobicContact CD1-CD1 3.64Å; L406-I412 HydrophobicContact CG-CD1 4.05Å; I412-F416 HydrophobicContact CD1-CD1 4.18Å; I412-F416 HydrophobicContact CD1-CE1 4.45Å; I412-F416 HydrophobicContact CD1-CG 4.49Å; I412-F416 HydrophobicContact CG2-CB 3.27Å; I412-F416 HydrophobicContact CG2-CD1 4.09Å; I412-F416 HydrophobicContact CG2-CG 3.73Å
413	P	50.4	Low	60.3	Low	73 Å²	73	68.8 Å²	68.8	47%	0.474	34%	0.337	S	S	.	.			trans	-61.2	145.5	171.7	-20.9	31.7	0	0	0	112.4	T415 F416	P413-T415 PolarHBondContact O-N 3.14Å; P413-F416 PolarHBondContact O-N 3.22Å; P413-F416 VanDerWaalsContact O-N 3.08Å
414	K	42.9	Very low	60.7	Low	223 Å²	223	62.6 Å²	62.6	97%	0.97	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-17.8	178	-70.7	-176.1	178.2	-180	0	114.6
415	T	44	Very low	61	Low	122 Å²	122	58.3 Å²	58.3	75%	0.748	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.7	-177.5	51.6	0	0	0	0	114.6	P413 K417	P413-T415 PolarHBondContact O-N 3.14Å; T415-K417 PolarHBondContact O-N 3.28Å
416	F	47.4	Very low	60.2	Low	44 Å²	44	59.9 Å²	59.9	19%	0.193	31%	0.308	C	S	.	.			trans	-68.2	104.3	178.5	-172	-104.6	0	0	0	111.3	I262 I412 P413 Q419	I262-F416 HydrophobicContact CB-CE2 4.46Å; I262-F416 HydrophobicContact CB-CZ 4.31Å; I262-F416 HydrophobicContact CG1-CZ 4.42Å; I262-F416 HydrophobicContact CG2-CD1 4.36Å; I262-F416 HydrophobicContact CG2-CD2 4.06Å; I262-F416 HydrophobicContact CG2-CE1 3.78Å; I262-F416 HydrophobicContact CG2-CE2 3.48Å; I262-F416 VanDerWaalsContact CG2-CE2 3.48Å; I262-F416 HydrophobicContact CG2-CG 4.49Å; I262-F416 HydrophobicContact CG2-CZ 3.3Å; I412-F416 HydrophobicContact CD1-CD1 4.18Å; I412-F416 HydrophobicContact CD1-CE1 4.45Å; I412-F416 HydrophobicContact CD1-CG 4.49Å; I412-F416 HydrophobicContact CG2-CB 3.27Å; I412-F416 HydrophobicContact CG2-CD1 4.09Å; I412-F416 HydrophobicContact CG2-CG 3.73Å; P413-F416 PolarHBondContact O-N 3.22Å; P413-F416 VanDerWaalsContact O-N 3.08Å; F416-Q419 HydrophobicContact CE1-CB 4.5Å; F416-Q419 HydrophobicContact CE2-CG 4.08Å; F416-Q419 HydrophobicContact CZ-CB 3.87Å; F416-Q419 HydrophobicContact CZ-CG 3.58Å
417	K	48.8	Very low	59.1	Low	143 Å²	143	63.2 Å²	63.2	62%	0.622	33%	0.33	S	S	*	.			trans	-69.4	135.6	166.6	-67.5	-176	178.6	-178.8	0	108.4	T415 Q419	T415-K417 PolarHBondContact O-N 3.28Å; K417-Q419 PolarHBondContact O-N 3.07Å; K417-Q419 VanDerWaalsContact O-N 3.16Å
418	S	51.4	Low	57.7	Low	33 Å²	33	63.3 Å²	63.3	23%	0.231	34%	0.336	C	S	.	.			trans	-51.9	117.7	-174.1	33.9	0	0	0	0	111.4	L420	S418-L420 PolarHBondContact O-N 2.77Å
419	Q	57	Low	56.1	Low	4 Å²	4	60.3 Å²	60.3	2%	0.019	34%	0.343	C	S	.	.			trans	-77.9	102.6	162.2	-78	173.6	-1.8	0	0	107.1	S237 F275 P401 F416 K417	S237-Q419 PolarHBondContact O-OE1 3.47Å; F275-Q419 HydrophobicContact CB-CG 4.24Å; F275-Q419 HydrophobicContact CG-CG 4.39Å; P401-Q419 VanDerWaalsContact CD-O 3.3Å; P401-Q419 WeakPolarHBondContact CD-O 3.35Å; P401-Q419 WeakPolarHBondContact CG-O 3.46Å; F416-Q419 HydrophobicContact CE1-CB 4.5Å; F416-Q419 HydrophobicContact CE2-CG 4.08Å; F416-Q419 HydrophobicContact CZ-CB 3.87Å; F416-Q419 HydrophobicContact CZ-CG 3.58Å; K417-Q419 PolarHBondContact O-N 3.07Å; K417-Q419 VanDerWaalsContact O-N 3.16Å
420	L	60.4	Low	54.9	Low	34 Å²	34	65.1 Å²	65.1	18%	0.178	36%	0.361	C	S	.	.			trans	-66.5	138.8	179.1	-67.4	162.2	0	0	0	110	D278 L398 E400 S418	D278-L420 WeakPolarHBondContact OD1-CD1 3.36Å; L398-L420 HydrophobicContact CB-CD2 4.38Å; L398-L420 HydrophobicContact CD1-CD1 4.47Å; L398-L420 HydrophobicContact CD2-CB 4.1Å; L398-L420 HydrophobicContact CD2-CD1 4.22Å; E400-L420 HydrophobicContact CG-CD2 4.2Å; S418-L420 PolarHBondContact O-N 2.77Å
421	C	67.9	Low	53.2	Low	0 Å²	0	69 Å²	69	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130	169.7	-174.8	0	0	0	0	108.2	I235 S331 Y399	I235-C421 CarbonylContact O-C 3.54Å; I235-C421 WeakPolarHBondContact O-CA 3.23Å; S331-C421 WeakPolarHBondContact O-CB 3.28Å; Y399-C421 WeakPolarHBondContact CB-O 3.5Å; Y399-C421 PolarHBondContact N-O 3.07Å; Y399-C421 PolarHBondContact O-N 3.32Å
422	I	73.5	Confident	52	Low	10 Å²	10	79 Å²	79	5%	0.051	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	-175.9	-74	160.4	0	0	0	108.3	F234 I235 L280 I396 L398 L424	F234-I422 CarbonylContact C-O 3.48Å; F234-I422 VanDerWaalsContact CA-O 3.27Å; F234-I422 WeakPolarHBondContact CA-O 3.42Å; I235-I422 HydrophobicContact CG2-CB 3.87Å; I235-I422 HydrophobicContact CG2-CG2 4.12Å; I235-I422 PolarHBondContact N-O 2.78Å; I235-I422 PolarHBondContact O-N 3Å; L280-I422 HydrophobicContact CD1-CB 4.22Å; L280-I422 HydrophobicContact CD1-CD1 3.43Å; L280-I422 VanDerWaalsContact CD1-CD1 3.43Å; L280-I422 HydrophobicContact CD1-CG1 4.4Å; L280-I422 HydrophobicContact CD1-CG2 4.05Å; L280-I422 HydrophobicContact CD2-CD1 4.23Å; L280-I422 HydrophobicContact CG-CD1 3.53Å; I396-I422 HydrophobicContact CG1-CG2 4.36Å; I396-I422 HydrophobicContact CG2-CB 4.26Å; I396-I422 HydrophobicContact CG2-CG1 3.93Å; I396-I422 HydrophobicContact CG2-CG2 3.6Å; L398-I422 HydrophobicContact CD2-CD1 4.1Å; L398-I422 HydrophobicContact CD2-CG1 3.46Å; L398-I422 VanDerWaalsContact CD2-CG1 3.46Å; I422-L424 HydrophobicContact CG2-CD2 4Å
423	S	78.3	Confident	50.7	Low	12 Å²	12	80 Å²	80	8%	0.084	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130	166	162.9	0	0	0	0	109.9	A397 N425	A397-S423 PolarHBondContact O-N 3.36Å; S423-N425 VanDerWaalsContact C-N 3.34Å; S423-N425 PolarHBondContact OG-N 2.96Å; S423-N425 PolarHBondContact OG-ND2 2.91Å
424	L	74.8	Confident	49.8	Very low	14 Å²	14	83.9 Å²	83.9	7%	0.073	43%	0.431	C	S	.	.			trans	-93.4	7.5	174.6	-60.2	-179.7	0	0	0	112.4	T233 I235 P289 R290 I422	T233-L424 HydrophobicContact CG2-CD1 4.02Å; T233-L424 PolarHBondContact O-N 2.99Å; I235-L424 HydrophobicContact CB-CD1 4.32Å; I235-L424 HydrophobicContact CG2-CD1 4.21Å; I235-L424 HydrophobicContact CG2-CD2 3.99Å; I235-L424 HydrophobicContact CG2-CG 4.11Å; P289-L424 HydrophobicContact CB-CD1 3.98Å; P289-L424 HydrophobicContact CG-CD1 4.36Å; R290-L424 WeakPolarHBondContact CD-O 3.48Å; R290-L424 PolarHBondContact NH1-O 2.92Å; I422-L424 HydrophobicContact CG2-CD2 4Å
425	N	75.5	Confident	49.3	Very low	32 Å²	32	78.7 Å²	78.7	17%	0.171	42%	0.423	C	S	.	.			trans	-82.6	127.1	-175.9	-52.5	-53.9	0	0	0	111.2	D232 T233 S423	D232-N425 WeakPolarHBondContact CA-OD1 3.42Å; T233-N425 PolarHBondContact N-OD1 3.12Å; T233-N425 PolarHBondContact O-ND2 3.16Å; S423-N425 VanDerWaalsContact C-N 3.34Å; S423-N425 PolarHBondContact OG-N 2.96Å; S423-N425 PolarHBondContact OG-ND2 2.91Å
426	S	54.7	Low	48.7	Very low	39 Å²	39	79 Å²	79	27%	0.273	42%	0.42	S	S	.	.			trans	-76.3	129.2	171.4	-175.4	0	0	0	0	110.1	E394 N428	E394-S426 PolarHBondContact OE2-OG 2.88Å; E394-S426 VanDerWaalsContact OE2-OG 3.13Å; S426-N428 PolarHBondContact O-N 3.27Å; S426-N428 VanDerWaalsContact O-N 3.13Å
427	P	43.4	Very low	48.2	Very low	73 Å²	73	83.4 Å²	83.4	47%	0.474	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-66.5	-10.2	179	20.3	-26.5	0	0	0	114.2	N395	N395-P427 HydrophobicContact CB-CG 3.65Å; N395-P427 WeakPolarHBondContact ND2-CG 3.44Å
428	N	36	Very low	47.6	Very low	131 Å²	131	85.3 Å²	85.3	70%	0.701	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-99	11.6	-172.9	-75.2	-17.1	0	0	0	116	S426	S426-N428 PolarHBondContact O-N 3.27Å; S426-N428 VanDerWaalsContact O-N 3.13Å
429	G	33.8	Very low	46.9	Very low	71 Å²	71	93 Å²	93	73%	0.732	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-82.4	-4.6	177	0	0	0	0	0	116.3
430	R	37	Very low	46	Very low	156 Å²	156	101.8 Å²	101.8	59%	0.589	56%	0.556	S	S	*	*	S	Bend	trans	-127.6	0.2	-174.1	-73.1	-173.8	-178.3	163.4	5.2	116.3
431	N	27.8	Very low	45.3	Very low	142 Å²	142	105.2 Å²	105.2	76%	0.759	57%	0.574	S	S	*	*			trans	-105.9	82.8	171.2	-94.2	-6.2	0	0	0	111.1	G433	N431-G433 PolarHBondContact O-N 3.06Å; N431-G433 VanDerWaalsContact O-N 3.14Å
432	R	29.1	Very low	44.1	Very low	266 Å²	266	110.7 Å²	110.7	100%	1.004	61%	0.605	S	S	*	*			trans	-78.8	69	147	-80.8	-173.6	174.4	173.3	-0.4	107.3
433	G	31.1	Very low	42.5	Very low	58 Å²	58	116.3 Å²	116.3	60%	0.598	64%	0.635	S	S	*	*			trans	-92	118	172.5	0	0	0	0	0	109.1	N431 S435	N431-G433 PolarHBondContact O-N 3.06Å; N431-G433 VanDerWaalsContact O-N 3.14Å; G433-S435 PolarHBondContact O-N 3.5Å
434	R	30.1	Very low	40.4	Very low	154 Å²	154	122.4 Å²	122.4	58%	0.581	67%	0.668	S	S	*	*			trans	-40.4	119.3	172.2	-77.8	168.3	158.5	174.6	-12.2	111.5	A14 N436	A14-R434 PolarHBondContact O-NH1 3.47Å; A14-R434 VanDerWaalsContact O-NH1 3.07Å; R434-N436 VanDerWaalsContact C-N 3.27Å; R434-N436 PolarHBondContact O-N 2.76Å; R434-N436 VanDerWaalsContact O-N 3.09Å
435	S	33.7	Very low	38.2	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	71%	0.705	S	S	*	*			trans	-76	84.3	157.8	57.7	0	0	0	0	108.3	G433	G433-S435 PolarHBondContact O-N 3.5Å
436	N	31.5	Very low	35.7	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	74%	0.741	S	S	*	*			trans	-97.7	99.8	156.7	-87.1	7.8	0	0	0	106.8	R434	R434-N436 VanDerWaalsContact C-N 3.27Å; R434-N436 PolarHBondContact O-N 2.76Å; R434-N436 VanDerWaalsContact O-N 3.09Å
437	T	36.4	Very low	34.4	Very low	138 Å²	138	142.6 Å²	142.6	85%	0.847	77%	0.774	S	S	*	*			trans	-123.9	108.6	153.1	39.9	0	0	0	0	106.3
438	E	35.9	Very low	33.7	Very low	183 Å²	183	147.9 Å²	147.9	86%	0.855	80%	0.797	S	S	*	*			trans	-64.2	161.9	176.3	-67.5	168.7	141.2	0	0	112.1
439	H	36.4	Very low	33.5	Very low	193 Å²	193	149.3 Å²	149.3	89%	0.894	81%	0.805	S	S	*	*			trans	-23.5	127	168.5	-67.9	-55.5	0	0	0	118.6
440	S	39	Very low	33.4	Very low	189 Å²	189	156.5 Å²	156.5	100%	1.322	81%	0.812	S	S	*	*				-141.4	0	111.7	70.2	0	0	0	0	109.4

Retrieved 440 of 440 residues in 1412.1 ms (Link to these results)

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