A0A077Z1Y5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1Y5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 429 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	47.2	Very low	251 Å²	251	138.6 Å²	138.6	100%	1.236	71%	0.709	S	S	*	*				0	120.8	0	-66.6	-174.7	-157.7	0	0	106.8
2	S	38.7	Very low	47.1	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	70%	0.698	S	S	*	*			trans	-100.9	123.4	-160.9	166.2	0	0	0	0	109.6	A4	S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 2.92Å; S2-A4 PolarHBondContact OG-N 3.4Å
3	N	45.8	Very low	46.8	Very low	172 Å²	172	134.6 Å²	134.6	92%	0.92	69%	0.691	S	S	*	*			trans	-90.1	80.2	160.1	-76	-9.5	0	0	0	106.9	F5	N3-F5 PolarHBondContact O-N 3.32Å
4	A	50	Low	46.3	Very low	82 Å²	82	129 Å²	129	68%	0.678	67%	0.67	S	S	*	*			trans	-64.6	125.3	170.8	0	0	0	0	0	108.5	S2 D6	S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 2.92Å; S2-A4 PolarHBondContact OG-N 3.4Å; A4-D6 PolarHBondContact O-N 2.78Å
5	F	50.6	Low	45.8	Very low	166 Å²	166	127.3 Å²	127.3	73%	0.728	66%	0.662	S	S	*	*			trans	-63.8	118.3	176.4	-162.5	-94.7	0	0	0	108.8	N3 F7	N3-F5 PolarHBondContact O-N 3.32Å; F5-F7 HydrophobicContact CD1-CD2 4.07Å; F5-F7 HydrophobicContact CD1-CE2 4.01Å; F5-F7 PolarHBondContact O-N 3.07Å; F5-F7 VanDerWaalsContact O-N 3.09Å
6	D	59.4	Low	45.5	Very low	100 Å²	100	127 Å²	127	54%	0.535	66%	0.661	S	S	.	*			trans	-78.6	93.5	-176.1	-171.6	3.4	0	0	0	110.6	A4 S8	A4-D6 PolarHBondContact O-N 2.78Å; D6-S8 PolarHBondContact O-N 3.26Å; D6-S8 VanDerWaalsContact OD1-CB 3.22Å; D6-S8 WeakPolarHBondContact OD1-CB 3.45Å; D6-S8 PolarHBondContact OD1-N 3.15Å; D6-S8 PolarHBondContact OD1-OG 2.8Å; D6-S8 PolarHBondContact OD2-OG 3.45Å
7	F	51.3	Low	45.2	Very low	140 Å²	140	125.8 Å²	125.8	61%	0.614	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-12	174.6	-93.5	-89.3	0	0	0	113.4	F5 R9 F10 L11	F5-F7 HydrophobicContact CD1-CD2 4.07Å; F5-F7 HydrophobicContact CD1-CE2 4.01Å; F5-F7 PolarHBondContact O-N 3.07Å; F5-F7 VanDerWaalsContact O-N 3.09Å; F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 3.13Å; F7-F10 PolarHBondContact O-N 2.99Å; F7-F10 VanDerWaalsContact O-N 3.17Å; F7-L11 PolarHBondContact O-N 3.45Å
8	S	47.4	Very low	44.9	Very low	57 Å²	57	125.4 Å²	125.4	40%	0.399	66%	0.663	S	S	.	*	H	α-helix	trans	-65.1	-34.4	-178.4	68.7	0	0	0	0	112.4	D6 F10 L11 E12	D6-S8 PolarHBondContact O-N 3.26Å; D6-S8 VanDerWaalsContact OD1-CB 3.22Å; D6-S8 WeakPolarHBondContact OD1-CB 3.45Å; D6-S8 PolarHBondContact OD1-N 3.15Å; D6-S8 PolarHBondContact OD1-OG 2.8Å; D6-S8 PolarHBondContact OD2-OG 3.45Å; S8-F10 VanDerWaalsContact C-N 3.31Å; S8-F10 PolarHBondContact O-N 3.28Å; S8-L11 PolarHBondContact O-N 2.95Å; S8-E12 PolarHBondContact O-N 3.5Å; S8-E12 VanDerWaalsContact O-N 3.08Å
9	R	48.5	Very low	44.8	Very low	189 Å²	189	126.3 Å²	126.3	71%	0.713	66%	0.662	S	S	*	*	H	α-helix	trans	-70.5	-22.6	175.5	-78.9	-175.3	164.6	-174	-4	114.6	F7 V13	F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 3.13Å; R9-V13 WeakPolarHBondContact O-CG2 3.49Å
10	F	46.1	Very low	45.1	Very low	160 Å²	160	125.9 Å²	125.9	70%	0.702	67%	0.669	S	S	*	*	H	α-helix	trans	-82.1	-26.4	176.1	-133.1	-87.9	0	0	0	111.6	F7 S8 S14	F7-F10 PolarHBondContact O-N 2.99Å; F7-F10 VanDerWaalsContact O-N 3.17Å; S8-F10 VanDerWaalsContact C-N 3.31Å; S8-F10 PolarHBondContact O-N 3.28Å; F10-S14 PolarHBondContact O-N 2.79Å
11	L	41.1	Very low	45.7	Very low	104 Å²	104	123.2 Å²	123.2	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-78.4	-35.8	173.5	-72	165.2	0	0	0	111.9	F7 S8 V13 S14 D15	F7-L11 PolarHBondContact O-N 3.45Å; S8-L11 PolarHBondContact O-N 2.95Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 3.39Å; L11-S14 WeakPolarHBondContact O-CB 3.44Å; L11-S14 PolarHBondContact O-N 3.18Å; L11-S14 VanDerWaalsContact O-N 3.11Å; L11-D15 PolarHBondContact O-N 3.33Å
12	E	45.8	Very low	47	Very low	125 Å²	125	114.7 Å²	114.7	58%	0.584	62%	0.615	S	S	*	*	H	α-helix	trans	-64.4	-32	174.8	-74.1	178.7	168.3	0	0	113.3	S8 L16	S8-E12 PolarHBondContact O-N 3.5Å; S8-E12 VanDerWaalsContact O-N 3.08Å; E12-L16 WeakPolarHBondContact O-CD1 3.49Å; E12-L16 PolarHBondContact O-N 3.29Å
13	V	42.9	Very low	48.8	Very low	100 Å²	100	114.9 Å²	114.9	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-79.8	-24	174.6	179.5	0	0	0	0	112	R9 L11	R9-V13 WeakPolarHBondContact O-CG2 3.49Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 3.39Å
14	S	40.4	Very low	50.5	Low	56 Å²	56	108.2 Å²	108.2	39%	0.392	58%	0.583	S	S	.	*	H	α-helix	trans	-76.4	-34.9	173	174.7	0	0	0	0	112.2	F10 L11 C17	F10-S14 PolarHBondContact O-N 2.79Å; L11-S14 WeakPolarHBondContact O-CB 3.44Å; L11-S14 PolarHBondContact O-N 3.18Å; L11-S14 VanDerWaalsContact O-N 3.11Å; S14-C17 PolarHBondContact O-N 3.04Å
15	D	38.5	Very low	52.1	Low	104 Å²	104	104.7 Å²	104.7	56%	0.556	56%	0.555	S	S	*	*	H	α-helix	trans	-80.2	-24.1	-179.7	-72.1	-20.7	0	0	0	113	L11 C17 N18	L11-D15 PolarHBondContact O-N 3.33Å; D15-C17 VanDerWaalsContact C-N 3.28Å; D15-C17 PolarHBondContact O-N 3.48Å; D15-N18 PolarHBondContact O-N 3.45Å
16	L	40.1	Very low	53.8	Low	122 Å²	122	101.1 Å²	101.1	64%	0.639	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.3	169.5	-94	152.4	0	0	0	113.5	E12	E12-L16 WeakPolarHBondContact O-CD1 3.49Å; E12-L16 PolarHBondContact O-N 3.29Å
17	C	41.7	Very low	55.2	Low	107 Å²	107	98 Å²	98	72%	0.723	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.1	175.6	-69.8	0	0	0	0	113.6	S14 D15	S14-C17 PolarHBondContact O-N 3.04Å; D15-C17 VanDerWaalsContact C-N 3.28Å; D15-C17 PolarHBondContact O-N 3.48Å
18	N	38.3	Very low	57.1	Low	118 Å²	118	91.3 Å²	91.3	63%	0.631	50%	0.495	S	S	*	.			trans	-113.5	34.2	176	-78.4	-30.9	0	0	0	112.2	D15 C20	D15-N18 PolarHBondContact O-N 3.45Å; N18-C20 PolarHBondContact O-N 3.42Å
19	H	44.7	Very low	59	Low	142 Å²	142	88.8 Å²	88.8	66%	0.657	48%	0.478	S	S	*	.			trans	-65.9	103.5	164.5	-79.1	1.3	0	0	0	108.4	R21	H19-R21 PolarHBondContact O-N 2.95Å
20	C	49.5	Very low	60.9	Low	119 Å²	119	84.4 Å²	84.4	80%	0.804	46%	0.464	S	S	*	.			trans	-47.1	111.1	156.5	-68.1	0	0	0	0	106.1	N18 S22	N18-C20 PolarHBondContact O-N 3.42Å; C20-S22 PolarHBondContact O-N 3.32Å
21	R	59.1	Low	63	Low	70 Å²	70	76.8 Å²	76.8	26%	0.264	43%	0.431	S	S	.	.			trans	-51.9	139.4	174.8	-77.2	-179.8	175.2	162.9	3.7	106.4	H19 E26 E70 D71	H19-R21 PolarHBondContact O-N 2.95Å; R21-E26 HydrophobicContact CB-CG 3.62Å; R21-E70 IonicContact CZ-OE2 3.29Å; R21-E70 VanDerWaalsContact CZ-OE2 3.32Å; R21-E70 IonicContact NE-OE2 2.77Å; R21-E70 PolarHBondContact NE-OE2 3.27Å; R21-E70 VanDerWaalsContact NE-OE2 3.13Å; R21-E70 IonicContact NH2-OE2 3.87Å; R21-E70 PolarHBondContact NH2-OE2 3.01Å; R21-D71 IonicContact CZ-OD1 3.43Å; R21-D71 IonicContact CZ-OD2 3.5Å; R21-D71 VanDerWaalsContact CZ-OD2 3.3Å; R21-D71 IonicContact NH1-OD2 3.52Å; R21-D71 PolarHBondContact NH1-OD2 2.92Å; R21-D71 IonicContact NH2-OD1 3.6Å; R21-D71 PolarHBondContact NH2-OD1 2.95Å; R21-D71 IonicContact NH2-OD2 2.67Å; R21-D71 PolarHBondContact NH2-OD2 2.9Å
22	S	66.9	Low	65.4	Low	72 Å²	72	71.9 Å²	71.9	50%	0.503	41%	0.405	S	S	.	.			trans	-52.4	152.2	170.2	66.3	0	0	0	0	108.4	C20 A24 G25 E26	C20-S22 PolarHBondContact O-N 3.32Å; S22-A24 CarbonylContact O-C 3.52Å; S22-A24 PolarHBondContact O-N 3.02Å; S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.44Å; S22-G25 PolarHBondContact OG-N 3.04Å; S22-G25 VanDerWaalsContact OG-N 3.13Å; S22-E26 PolarHBondContact O-N 3.25Å
23	P	76.3	Confident	67.4	Low	107 Å²	107	69.8 Å²	69.8	70%	0.695	40%	0.398	S	S	*	.	H	α-helix	trans	-51.7	-29.6	177.2	-28.4	34.8	0	0	0	113.3	T27	P23-T27 PolarHBondContact O-N 3.09Å; P23-T27 PolarHBondContact O-OG1 2.57Å
24	A	81.5	Confident	69.6	Low	33 Å²	33	65.2 Å²	65.2	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-51.5	170.3	0	0	0	0	0	112.5	S22 E26 T27 I28 Y59	S22-A24 CarbonylContact O-C 3.52Å; S22-A24 PolarHBondContact O-N 3.02Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 2.61Å; A24-T27 PolarHBondContact O-N 3.08Å; A24-T27 VanDerWaalsContact O-N 3.16Å; A24-I28 WeakPolarHBondContact O-CG1 3.44Å; A24-I28 PolarHBondContact O-N 2.65Å; A24-Y59 HydrophobicContact CB-CD1 4.3Å; A24-Y59 HydrophobicContact CB-CE1 3.76Å
25	G	84.4	Confident	72	Confident	8 Å²	8	62.6 Å²	62.6	8%	0.082	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-36.3	178	0	0	0	0	0	113.3	S22 A29	S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.44Å; S22-G25 PolarHBondContact OG-N 3.04Å; S22-G25 VanDerWaalsContact OG-N 3.13Å; G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.13Å; G25-A29 PolarHBondContact O-N 2.7Å
26	E	86.9	Confident	74.4	Confident	91 Å²	91	58.2 Å²	58.2	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-43.2	173.2	-68.3	-171.6	171.8	0	0	112.2	R21 S22 A24 A29 K30	R21-E26 HydrophobicContact CB-CG 3.62Å; S22-E26 PolarHBondContact O-N 3.25Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 2.61Å; E26-A29 PolarHBondContact O-N 2.95Å; E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.37Å
27	T	87.9	Confident	76.5	Confident	33 Å²	33	56 Å²	56	20%	0.202	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-47.9	176.9	-57.6	0	0	0	0	111.2	P23 A24 A29 K30 I31 T55	P23-T27 PolarHBondContact O-N 3.09Å; P23-T27 PolarHBondContact O-OG1 2.57Å; A24-T27 PolarHBondContact O-N 3.08Å; A24-T27 VanDerWaalsContact O-N 3.16Å; T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 3.49Å; T27-K30 PolarHBondContact O-N 3.1Å; T27-I31 HydrophobicContact CG2-CD1 4.05Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 2.82Å; T27-I31 VanDerWaalsContact O-N 3.09Å; T27-T55 HydrophobicContact CG2-CG2 4.17Å
28	I	90.3	Very high	78.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-47.7	176.7	-66.3	168.7	0	0	0	110.2	A24 K30 I31 L32 I51 Y59 D63 I64 V67	A24-I28 WeakPolarHBondContact O-CG1 3.44Å; A24-I28 PolarHBondContact O-N 2.65Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å; I28-I31 PolarHBondContact O-N 3.42Å; I28-I31 VanDerWaalsContact O-N 3.16Å; I28-L32 HydrophobicContact CG2-CD1 3.86Å; I28-L32 HydrophobicContact CG2-CG 4.18Å; I28-L32 WeakPolarHBondContact O-CG 3.27Å; I28-L32 PolarHBondContact O-N 3.05Å; I28-I51 HydrophobicContact CG2-CD1 4.47Å; I28-Y59 HydrophobicContact CD1-CD1 3.68Å; I28-Y59 HydrophobicContact CD1-CE1 4.25Å; I28-Y59 HydrophobicContact CD1-CG 4.09Å; I28-Y59 HydrophobicContact CG1-CD1 3.95Å; I28-Y59 HydrophobicContact CG1-CE1 4.15Å; I28-Y59 HydrophobicContact CG1-CG 4.2Å; I28-D63 HydrophobicContact CD1-CB 3.82Å; I28-I64 HydrophobicContact CD1-CG1 4.31Å; I28-V67 HydrophobicContact CB-CG2 4.22Å; I28-V67 HydrophobicContact CG2-CB 3.82Å; I28-V67 HydrophobicContact CG2-CG1 4.03Å; I28-V67 HydrophobicContact CG2-CG2 3.97Å
29	A	88.5	Confident	81	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-41.5	179.6	0	0	0	0	0	112.8	G25 E26 T27 I31 L32 N33 V67	G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.13Å; G25-A29 PolarHBondContact O-N 2.7Å; E26-A29 PolarHBondContact O-N 2.95Å; T27-A29 VanDerWaalsContact C-N 3.34Å; T27-A29 PolarHBondContact O-N 3.49Å; A29-I31 VanDerWaalsContact C-N 3.34Å; A29-I31 PolarHBondContact O-N 2.62Å; A29-L32 PolarHBondContact O-N 3.37Å; A29-N33 WeakPolarHBondContact O-CB 2.87Å; A29-N33 PolarHBondContact O-N 3.33Å; A29-N33 PolarHBondContact O-ND2 2.78Å; A29-V67 HydrophobicContact CB-CG1 3.72Å
30	K	88.3	Confident	83.2	Confident	97 Å²	97	50.1 Å²	50.1	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-42.4	175.7	-74.1	173.3	-177	177.8	0	111.8	E26 T27 I28 L34	E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.37Å; T27-K30 PolarHBondContact O-N 3.1Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å; K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.35Å
31	I	90.5	Very high	85.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-40.8	179.6	-63.8	168.1	0	0	0	111.3	T27 I28 A29 N33 L34 L35 I51 L54 T55 Y92	T27-I31 HydrophobicContact CG2-CD1 4.05Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 2.82Å; T27-I31 VanDerWaalsContact O-N 3.09Å; I28-I31 PolarHBondContact O-N 3.42Å; I28-I31 VanDerWaalsContact O-N 3.16Å; A29-I31 VanDerWaalsContact C-N 3.34Å; A29-I31 PolarHBondContact O-N 2.62Å; I31-N33 VanDerWaalsContact C-N 3.35Å; I31-N33 PolarHBondContact O-N 2.98Å; I31-L34 WeakPolarHBondContact O-CB 3.48Å; I31-L34 PolarHBondContact O-N 2.69Å; I31-L35 HydrophobicContact CG2-CD1 4.21Å; I31-L35 HydrophobicContact CG2-CG 4.43Å; I31-L35 WeakPolarHBondContact O-CG 3.38Å; I31-L35 PolarHBondContact O-N 3.11Å; I31-I51 HydrophobicContact CB-CG1 4.25Å; I31-I51 HydrophobicContact CD1-CB 4.29Å; I31-I51 HydrophobicContact CD1-CG1 3.98Å; I31-I51 HydrophobicContact CD1-CG2 3.95Å; I31-I51 HydrophobicContact CG2-CG1 3.73Å; I31-L54 HydrophobicContact CG1-CD1 4.46Å; I31-L54 HydrophobicContact CG2-CD1 3.99Å; I31-T55 HydrophobicContact CD1-CG2 3.52Å; I31-Y92 HydrophobicContact CD1-CE1 4.41Å; I31-Y92 HydrophobicContact CG1-CE1 4.46Å; I31-Y92 HydrophobicContact CG1-CE2 4.05Å
32	L	90.2	Very high	86.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.7	174.3	-69.1	176.7	0	0	0	111.6	I28 A29 L34 L35 A36 I47 V67 A68 F81	I28-L32 HydrophobicContact CG2-CD1 3.86Å; I28-L32 HydrophobicContact CG2-CG 4.18Å; I28-L32 WeakPolarHBondContact O-CG 3.27Å; I28-L32 PolarHBondContact O-N 3.05Å; A29-L32 PolarHBondContact O-N 3.37Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 2.91Å; L32-L35 HydrophobicContact CD2-CD1 4.42Å; L32-L35 PolarHBondContact O-N 3.09Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-A36 WeakPolarHBondContact O-CB 3.24Å; L32-A36 PolarHBondContact O-N 3.12Å; L32-I47 HydrophobicContact CD2-CD1 4.1Å; L32-I47 HydrophobicContact CD2-CG2 3.64Å; L32-V67 HydrophobicContact CD1-CB 4.18Å; L32-V67 HydrophobicContact CD1-CG1 3.83Å; L32-A68 HydrophobicContact CD1-CB 4.15Å; L32-F81 HydrophobicContact CB-CE1 4.38Å; L32-F81 HydrophobicContact CD2-CE1 4Å; L32-F81 HydrophobicContact CD2-CZ 4.49Å
33	N	87.7	Confident	88	Confident	81 Å²	81	50.4 Å²	50.4	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-34.7	174.3	-78.7	-47.1	0	0	0	112.9	A29 I31	A29-N33 WeakPolarHBondContact O-CB 2.87Å; A29-N33 PolarHBondContact O-N 3.33Å; A29-N33 PolarHBondContact O-ND2 2.78Å; I31-N33 VanDerWaalsContact C-N 3.35Å; I31-N33 PolarHBondContact O-N 2.98Å
34	L	89.3	Confident	88.8	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-45.9	171.6	172.8	67.1	0	0	0	111	K30 I31 L32 A36 R37 F38 L54 P88 Y92 F93 F155	K30-L34 WeakPolarHBondContact O-CB 3.37Å; K30-L34 PolarHBondContact O-N 3.35Å; I31-L34 WeakPolarHBondContact O-CB 3.48Å; I31-L34 PolarHBondContact O-N 2.69Å; L32-L34 VanDerWaalsContact C-N 3.3Å; L32-L34 PolarHBondContact O-N 2.91Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.43Å; L34-R37 VanDerWaalsContact O-CB 3.25Å; L34-R37 WeakPolarHBondContact O-CB 3.23Å; L34-R37 WeakPolarHBondContact O-CG 3.29Å; L34-R37 PolarHBondContact O-N 3.11Å; L34-F38 HydrophobicContact CD1-CE2 4.02Å; L34-F38 WeakPolarHBondContact O-CD2 3.46Å; L34-L54 HydrophobicContact CD2-CD1 4.15Å; L34-P88 HydrophobicContact CD1-CB 3.73Å; L34-Y92 HydrophobicContact CD2-CD2 4.22Å; L34-F93 HydrophobicContact CD1-CE2 4.29Å; L34-F93 HydrophobicContact CD2-CE2 3.68Å; L34-F93 HydrophobicContact CD2-CZ 4.05Å; L34-F155 HydrophobicContact CD1-CE1 4.41Å; L34-F155 HydrophobicContact CD2-CE1 3.87Å; L34-F155 HydrophobicContact CD2-CZ 3.95Å; L34-F155 HydrophobicContact CG-CD1 4.34Å; L34-F155 HydrophobicContact CG-CE1 3.69Å; L34-F155 HydrophobicContact CG-CZ 4.24Å
35	L	91.2	Very high	89.2	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.4	-71	169.2	0	0	0	112.5	I31 L32 R37 F38 A39 L42 I47 T50 F81 F153 F155	I31-L35 HydrophobicContact CG2-CD1 4.21Å; I31-L35 HydrophobicContact CG2-CG 4.43Å; I31-L35 WeakPolarHBondContact O-CG 3.38Å; I31-L35 PolarHBondContact O-N 3.11Å; L32-L35 HydrophobicContact CD2-CD1 4.42Å; L32-L35 PolarHBondContact O-N 3.09Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L35-R37 PolarHBondContact O-N 3.16Å; L35-F38 PolarHBondContact O-N 2.95Å; L35-A39 PolarHBondContact O-N 3.13Å; L35-L42 HydrophobicContact CB-CD1 4.25Å; L35-L42 HydrophobicContact CD1-CD1 4.18Å; L35-L42 HydrophobicContact CD2-CD1 3.76Å; L35-L42 HydrophobicContact CG-CD1 4.3Å; L35-I47 HydrophobicContact CD1-CB 4.48Å; L35-I47 HydrophobicContact CD1-CG1 4.04Å; L35-I47 HydrophobicContact CD1-CG2 4.16Å; L35-T50 HydrophobicContact CD2-CG2 4.06Å; L35-F81 HydrophobicContact CB-CE1 4.04Å; L35-F81 HydrophobicContact CB-CE2 4.25Å; L35-F81 HydrophobicContact CB-CZ 3.74Å; L35-F81 HydrophobicContact CD1-CZ 4.25Å; L35-F153 HydrophobicContact CD2-CB 4.18Å; L35-F153 HydrophobicContact CD2-CD1 3.56Å; L35-F153 HydrophobicContact CD2-CE1 4.29Å; L35-F153 HydrophobicContact CD2-CG 4.1Å; L35-F155 HydrophobicContact CD2-CE1 3.69Å; L35-F155 HydrophobicContact CD2-CZ 3.52Å; L35-F155 HydrophobicContact CG-CE1 4.4Å; L35-F155 HydrophobicContact CG-CZ 4.3Å
36	A	88.3	Confident	89.7	Confident	13 Å²	13	48 Å²	48	11%	0.107	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-20.5	176.8	0	0	0	0	0	114	L32 L34 F81	L32-A36 WeakPolarHBondContact O-CB 3.24Å; L32-A36 PolarHBondContact O-N 3.12Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.43Å; A36-F81 HydrophobicContact CB-CB 3.59Å; A36-F81 HydrophobicContact CB-CD1 3.82Å; A36-F81 HydrophobicContact CB-CG 3.85Å
37	R	86	Confident	90	Very high	75 Å²	75	43.6 Å²	43.6	28%	0.283	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.2	176.2	-64.5	-77.3	150.5	-163.5	-4.3	113.9	L34 L35 G84 D85 Q86 P88	L34-R37 VanDerWaalsContact O-CB 3.25Å; L34-R37 WeakPolarHBondContact O-CB 3.23Å; L34-R37 WeakPolarHBondContact O-CG 3.29Å; L34-R37 PolarHBondContact O-N 3.11Å; L35-R37 PolarHBondContact O-N 3.16Å; R37-G84 PolarHBondContact NH1-O 3.11Å; R37-G84 PolarHBondContact NH2-O 3.16Å; R37-D85 VanDerWaalsContact NH1-CA 3.32Å; R37-D85 PolarHBondContact NH1-O 3.27Å; R37-D85 VanDerWaalsContact NH2-C 3.33Å; R37-Q86 PolarHBondContact NE-O 3.21Å; R37-Q86 PolarHBondContact NH1-O 2.91Å; R37-Q86 PolarHBondContact NH2-O 2.82Å; R37-P88 HydrophobicContact CG-CB 4.12Å
38	F	86.9	Confident	90.2	Very high	50 Å²	50	43.2 Å²	43.2	22%	0.219	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-18.9	-166.9	-64.4	-86.3	0	0	0	112.5	L34 L35 P88 F153 F155 P156 Y160	L34-F38 HydrophobicContact CD1-CE2 4.02Å; L34-F38 WeakPolarHBondContact O-CD2 3.46Å; L35-F38 PolarHBondContact O-N 2.95Å; F38-P88 HydrophobicContact CE2-CB 4.26Å; F38-F153 HydrophobicContact CB-CE1 3.58Å; F38-F153 HydrophobicContact CB-CZ 3.58Å; F38-F153 HydrophobicContact CG-CE1 4.43Å; F38-F155 AromaticContact CD2-CD1 3.57Å; F38-F155 HydrophobicContact CD2-CD1 3.57Å; F38-F155 HydrophobicContact CD2-CE1 4.17Å; F38-F155 AromaticContact CE2-CD1 3.85Å; F38-F155 HydrophobicContact CE2-CD1 3.85Å; F38-F155 HydrophobicContact CG-CD1 4.13Å; F38-P156 HydrophobicContact CD1-CG 4.46Å; F38-Y160 AromaticContact CE1-CE2 3.86Å; F38-Y160 HydrophobicContact CE1-CE2 3.86Å; F38-Y160 AromaticContact CZ-CE2 3.84Å; F38-Y160 HydrophobicContact CZ-CE2 3.84Å
39	A	87.7	Confident	90.2	Very high	14 Å²	14	45.8 Å²	45.8	12%	0.116	22%	0.217	C	C	.	.			trans	-132	143.3	179.3	0	0	0	0	0	111.2	L35 L42 F81 F153	L35-A39 PolarHBondContact O-N 3.13Å; A39-L42 HydrophobicContact CB-CD1 3.97Å; A39-L42 HydrophobicContact CB-CD2 4.12Å; A39-L42 HydrophobicContact CB-CG 3.78Å; A39-F81 HydrophobicContact CB-CD2 4.49Å; A39-F81 HydrophobicContact CB-CE2 4.42Å; A39-F81 WeakPolarHBondContact O-CD2 3.28Å; A39-F153 HydrophobicContact CB-CE2 4.1Å; A39-F153 HydrophobicContact CB-CZ 4.19Å
40	K	88.9	Confident	90.4	Very high	179 Å²	179	45.6 Å²	45.6	78%	0.778	22%	0.215	S	C	*	.	S	Bend	trans	-80.2	-33.2	169.3	-66.5	-176.5	178.1	-178.1	0	111.7	F81	K40-F81 PolarHBondContact O-N 3.44Å
41	E	92.1	Very high	90.6	Very high	100 Å²	100	41 Å²	41	47%	0.467	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.3	-174.7	54.5	-179	-133.8	0	0	110.3	K78 V79	E41-K78 WeakPolarHBondContact OE1-CE 3.26Å; E41-K78 IonicContact OE1-NZ 2.79Å; E41-K78 PolarHBondContact OE1-NZ 3.16Å; E41-K78 WeakPolarHBondContact OE2-CE 3.44Å; E41-K78 IonicContact OE2-NZ 2.67Å; E41-K78 PolarHBondContact OE2-NZ 3.44Å; E41-V79 VanDerWaalsContact CA-O 3.26Å; E41-V79 WeakPolarHBondContact CA-O 3.31Å
42	L	92.8	Very high	90.6	Very high	23 Å²	23	43.1 Å²	43.1	12%	0.12	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.4	171.3	-70	174.2	0	0	0	110	L35 A39 T46 I47 V79 F81 F153	L35-L42 HydrophobicContact CB-CD1 4.25Å; L35-L42 HydrophobicContact CD1-CD1 4.18Å; L35-L42 HydrophobicContact CD2-CD1 3.76Å; L35-L42 HydrophobicContact CG-CD1 4.3Å; A39-L42 HydrophobicContact CB-CD1 3.97Å; A39-L42 HydrophobicContact CB-CD2 4.12Å; A39-L42 HydrophobicContact CB-CG 3.78Å; L42-T46 HydrophobicContact CD2-CG2 4.09Å; L42-I47 HydrophobicContact CB-CD1 4.11Å; L42-I47 HydrophobicContact CB-CG1 3.91Å; L42-I47 HydrophobicContact CD1-CG1 4.35Å; L42-V79 PolarHBondContact N-O 3.06Å; L42-V79 PolarHBondContact O-N 3.17Å; L42-F81 HydrophobicContact CB-CE2 3.88Å; L42-F81 HydrophobicContact CB-CZ 4.3Å; L42-F81 HydrophobicContact CD1-CE2 3.85Å; L42-F81 HydrophobicContact CD1-CZ 4.14Å; L42-F81 HydrophobicContact CG-CE2 3.84Å; L42-F81 HydrophobicContact CG-CZ 4.47Å; L42-F153 HydrophobicContact CD1-CB 4.14Å; L42-F153 HydrophobicContact CD1-CD2 4.22Å; L42-F153 HydrophobicContact CD1-CG 4.06Å; L42-F153 HydrophobicContact CD2-CB 4.48Å; L42-F153 HydrophobicContact CD2-CD2 3.78Å; L42-F153 HydrophobicContact CD2-CE2 4.41Å; L42-F153 HydrophobicContact CD2-CG 4.35Å
43	R	93.1	Very high	90.6	Very high	145 Å²	145	43.3 Å²	43.3	55%	0.547	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	151.5	170.6	-67.1	171.7	49.4	149.5	4.1	110.6	D45 T46 I47 Q77	R43-D45 VanDerWaalsContact C-N 3.3Å; R43-D45 WeakPolarHBondContact CB-OD1 3.42Å; R43-D45 IonicContact CZ-OD1 3.05Å; R43-D45 IonicContact CZ-OD2 2.71Å; R43-D45 VanDerWaalsContact CZ-OD2 3.28Å; R43-D45 IonicContact NE-OD1 2.72Å; R43-D45 PolarHBondContact NE-OD1 2.77Å; R43-D45 VanDerWaalsContact NE-OD1 3.08Å; R43-D45 IonicContact NE-OD2 3.08Å; R43-D45 PolarHBondContact NE-OD2 3.21Å; R43-D45 IonicContact NH2-OD1 2.59Å; R43-D45 IonicContact NH2-OD2 3.87Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; R43-D45 PolarHBondContact O-N 2.98Å; R43-T46 PolarHBondContact O-N 2.77Å; R43-I47 WeakPolarHBondContact O-CG1 3.1Å; R43-I47 PolarHBondContact O-N 2.91Å; R43-Q77 CarbonylContact C-O 3.54Å; R43-Q77 VanDerWaalsContact CA-O 3.24Å; R43-Q77 WeakPolarHBondContact CA-O 3.47Å
44	L	91.7	Very high	90.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-37.4	-179.5	-78.3	174.4	0	0	0	113	I47 A48 I64 R65 L74 Q77 V79	L44-I47 HydrophobicContact CD2-CD1 4.48Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 PolarHBondContact O-N 2.71Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 2.75Å; L44-I64 HydrophobicContact CD2-CG2 3.74Å; L44-R65 HydrophobicContact CD1-CG 3.61Å; L44-R65 VanDerWaalsContact CD1-CZ 3.43Å; L44-R65 VanDerWaalsContact CD1-NH2 3.32Å; L44-R65 HydrophobicContact CD2-CG 4.44Å; L44-L74 HydrophobicContact CD1-CD1 3.84Å; L44-L74 HydrophobicContact CD1-CD2 4.46Å; L44-L74 HydrophobicContact CD2-CD1 4.4Å; L44-L74 HydrophobicContact CG-CD1 4.12Å; L44-Q77 PolarHBondContact N-O 2.94Å; L44-V79 HydrophobicContact CD2-CG2 3.61Å; L44-V79 HydrophobicContact CG-CG2 4.13Å
45	D	91.5	Very high	90.6	Very high	65 Å²	65	41.5 Å²	41.5	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-46.3	174.8	51.8	-5.9	0	0	0	111.9	R43 I47 A48 E49	R43-D45 VanDerWaalsContact C-N 3.3Å; R43-D45 WeakPolarHBondContact CB-OD1 3.42Å; R43-D45 IonicContact CZ-OD1 3.05Å; R43-D45 IonicContact CZ-OD2 2.71Å; R43-D45 VanDerWaalsContact CZ-OD2 3.28Å; R43-D45 IonicContact NE-OD1 2.72Å; R43-D45 PolarHBondContact NE-OD1 2.77Å; R43-D45 VanDerWaalsContact NE-OD1 3.08Å; R43-D45 IonicContact NE-OD2 3.08Å; R43-D45 PolarHBondContact NE-OD2 3.21Å; R43-D45 IonicContact NH2-OD1 2.59Å; R43-D45 IonicContact NH2-OD2 3.87Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; R43-D45 PolarHBondContact O-N 2.98Å; D45-I47 VanDerWaalsContact C-N 3.31Å; D45-I47 PolarHBondContact O-N 3.35Å; D45-A48 PolarHBondContact O-N 3.5Å; D45-E49 WeakPolarHBondContact O-CG 2.93Å; D45-E49 PolarHBondContact O-N 2.83Å
46	T	93.5	Very high	90.3	Very high	29 Å²	29	43.9 Å²	43.9	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-39.4	173.4	-65.4	0	0	0	0	112.2	L42 R43 T50 S151 F153	L42-T46 HydrophobicContact CD2-CG2 4.09Å; R43-T46 PolarHBondContact O-N 2.77Å; T46-T50 WeakPolarHBondContact O-CB 2.79Å; T46-T50 PolarHBondContact O-N 2.94Å; T46-T50 PolarHBondContact O-OG1 3.44Å; T46-S151 WeakPolarHBondContact CA-O 2.98Å; T46-S151 WeakPolarHBondContact CB-O 3.42Å; T46-S151 VanDerWaalsContact CG2-O 3.31Å; T46-S151 WeakPolarHBondContact CG2-O 3.32Å; T46-S151 PolarHBondContact OG1-O 3.32Å; T46-F153 HydrophobicContact CG2-CB 3.9Å
47	I	92.9	Very high	90.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-49.6	177.3	-67.9	169.1	0	0	0	110.4	L32 L35 L42 R43 L44 D45 E49 T50 I51 I64 V79 F81	L32-I47 HydrophobicContact CD2-CD1 4.1Å; L32-I47 HydrophobicContact CD2-CG2 3.64Å; L35-I47 HydrophobicContact CD1-CB 4.48Å; L35-I47 HydrophobicContact CD1-CG1 4.04Å; L35-I47 HydrophobicContact CD1-CG2 4.16Å; L42-I47 HydrophobicContact CB-CD1 4.11Å; L42-I47 HydrophobicContact CB-CG1 3.91Å; L42-I47 HydrophobicContact CD1-CG1 4.35Å; R43-I47 WeakPolarHBondContact O-CG1 3.1Å; R43-I47 PolarHBondContact O-N 2.91Å; L44-I47 HydrophobicContact CD2-CD1 4.48Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 PolarHBondContact O-N 2.71Å; D45-I47 VanDerWaalsContact C-N 3.31Å; D45-I47 PolarHBondContact O-N 3.35Å; I47-E49 VanDerWaalsContact C-N 3.32Å; I47-E49 PolarHBondContact O-N 3.33Å; I47-T50 PolarHBondContact O-N 3.46Å; I47-T50 VanDerWaalsContact O-N 3.11Å; I47-I51 HydrophobicContact CG2-CD1 3.87Å; I47-I51 HydrophobicContact CG2-CG1 4.44Å; I47-I51 WeakPolarHBondContact O-CG1 2.94Å; I47-I51 PolarHBondContact O-N 3.35Å; I47-I64 HydrophobicContact CG2-CG2 3.83Å; I47-V79 HydrophobicContact CD1-CB 3.75Å; I47-V79 HydrophobicContact CD1-CG1 4.38Å; I47-V79 HydrophobicContact CD1-CG2 3.61Å; I47-F81 HydrophobicContact CD1-CZ 3.93Å; I47-F81 HydrophobicContact CG1-CZ 4.43Å
48	A	92.2	Very high	90.2	Very high	25 Å²	25	52.5 Å²	52.5	21%	0.207	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-45.9	179.1	0	0	0	0	0	111.3	L44 D45 T50 I51 F52 I64	L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 2.75Å; D45-A48 PolarHBondContact O-N 3.5Å; A48-T50 VanDerWaalsContact C-N 3.34Å; A48-T50 PolarHBondContact O-N 3.35Å; A48-I51 PolarHBondContact O-N 2.77Å; A48-F52 PolarHBondContact O-N 3.46Å; A48-I64 HydrophobicContact CB-CD1 3.71Å
49	E	90.4	Very high	90.2	Very high	53 Å²	53	52 Å²	52	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-37.5	175.8	-73	-171.1	-162.8	0	0	113.1	D45 I47 F52 V53 S151 A152	D45-E49 WeakPolarHBondContact O-CG 2.93Å; D45-E49 PolarHBondContact O-N 2.83Å; I47-E49 VanDerWaalsContact C-N 3.32Å; I47-E49 PolarHBondContact O-N 3.33Å; E49-F52 PolarHBondContact O-N 3.18Å; E49-V53 WeakPolarHBondContact O-CG2 3.42Å; E49-V53 PolarHBondContact O-N 3.33Å; E49-S151 WeakPolarHBondContact OE1-CB 2.94Å; E49-S151 PolarHBondContact OE1-OG 3.23Å; E49-S151 VanDerWaalsContact OE1-OG 3.04Å; E49-S151 VanDerWaalsContact OE2-C 3.31Å; E49-S151 WeakPolarHBondContact OE2-CB 2.99Å; E49-S151 PolarHBondContact OE2-OG 3.29Å; E49-A152 HydrophobicContact CB-CB 4.14Å; E49-A152 PolarHBondContact OE2-N 3.37Å
50	T	93	Very high	90.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-41.1	177.1	-52.3	0	0	0	0	111.2	L35 T46 I47 A48 F52 V53 L54 F153 F155	L35-T50 HydrophobicContact CD2-CG2 4.06Å; T46-T50 WeakPolarHBondContact O-CB 2.79Å; T46-T50 PolarHBondContact O-N 2.94Å; T46-T50 PolarHBondContact O-OG1 3.44Å; I47-T50 PolarHBondContact O-N 3.46Å; I47-T50 VanDerWaalsContact O-N 3.11Å; A48-T50 VanDerWaalsContact C-N 3.34Å; A48-T50 PolarHBondContact O-N 3.35Å; T50-F52 VanDerWaalsContact C-N 3.32Å; T50-F52 PolarHBondContact O-N 3.24Å; T50-V53 PolarHBondContact O-N 2.88Å; T50-L54 HydrophobicContact CG2-CD1 4.12Å; T50-L54 HydrophobicContact CG2-CG 4.36Å; T50-L54 VanDerWaalsContact O-CG 3.32Å; T50-L54 WeakPolarHBondContact O-CG 3.06Å; T50-L54 PolarHBondContact O-N 2.84Å; T50-F153 HydrophobicContact CG2-CB 4.39Å; T50-F153 WeakPolarHBondContact OG1-CB 2.92Å; T50-F153 PolarHBondContact OG1-N 2.87Å; T50-F155 HydrophobicContact CG2-CE2 3.65Å; T50-F155 HydrophobicContact CG2-CZ 3.78Å
51	I	91.9	Very high	90	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-46.6	173.6	-68	166.1	0	0	0	110	I28 I31 I47 A48 V53 L54 T55 Y59 I64	I28-I51 HydrophobicContact CG2-CD1 4.47Å; I31-I51 HydrophobicContact CB-CG1 4.25Å; I31-I51 HydrophobicContact CD1-CB 4.29Å; I31-I51 HydrophobicContact CD1-CG1 3.98Å; I31-I51 HydrophobicContact CD1-CG2 3.95Å; I31-I51 HydrophobicContact CG2-CG1 3.73Å; I47-I51 HydrophobicContact CG2-CD1 3.87Å; I47-I51 HydrophobicContact CG2-CG1 4.44Å; I47-I51 WeakPolarHBondContact O-CG1 2.94Å; I47-I51 PolarHBondContact O-N 3.35Å; A48-I51 PolarHBondContact O-N 2.77Å; I51-V53 PolarHBondContact O-N 3.46Å; I51-L54 PolarHBondContact O-N 3.34Å; I51-T55 HydrophobicContact CG2-CG2 4.38Å; I51-T55 WeakPolarHBondContact O-CB 3.29Å; I51-T55 PolarHBondContact O-N 3.18Å; I51-T55 PolarHBondContact O-OG1 3.4Å; I51-Y59 HydrophobicContact CG2-CD2 3.29Å; I51-Y59 HydrophobicContact CG2-CE2 3.38Å; I51-Y59 HydrophobicContact CG2-CG 4.41Å; I51-I64 HydrophobicContact CD1-CD1 3.9Å; I51-I64 HydrophobicContact CD1-CG1 4.06Å
52	F	91	Very high	89.7	Confident	44 Å²	44	50.6 Å²	50.6	19%	0.193	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-43.8	176.8	177	-103.6	0	0	0	112.4	A48 E49 T50 L54 G56 Q57 E58 L146	A48-F52 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 3.18Å; T50-F52 VanDerWaalsContact C-N 3.32Å; T50-F52 PolarHBondContact O-N 3.24Å; F52-L54 PolarHBondContact O-N 2.81Å; F52-G56 WeakPolarHBondContact O-CA 3.32Å; F52-G56 PolarHBondContact O-N 2.96Å; F52-Q57 WeakPolarHBondContact CA-O 3.09Å; F52-E58 HydrophobicContact CD2-CG 3.6Å; F52-E58 HydrophobicContact CE2-CG 3.92Å; F52-L146 HydrophobicContact CD1-CD2 3.94Å; F52-L146 HydrophobicContact CE1-CD2 3.32Å; F52-L146 HydrophobicContact CZ-CD2 4.22Å
53	V	90	Very high	89.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-39.6	177.7	168.9	0	0	0	0	112.2	E49 T50 I51 L146 K149 A152 W154 P213 I216	E49-V53 WeakPolarHBondContact O-CG2 3.42Å; E49-V53 PolarHBondContact O-N 3.33Å; T50-V53 PolarHBondContact O-N 2.88Å; I51-V53 PolarHBondContact O-N 3.46Å; V53-L146 HydrophobicContact CG2-CB 4.46Å; V53-K149 HydrophobicContact CG2-CD 4.48Å; V53-A152 HydrophobicContact CG2-CB 4.16Å; V53-W154 HydrophobicContact CG1-CH2 3.79Å; V53-W154 HydrophobicContact CG1-CZ3 3.98Å; V53-P213 HydrophobicContact CG1-CG 4.01Å; V53-I216 HydrophobicContact CG1-CD1 4.2Å
54	L	90.4	Very high	89.3	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-78	-34	-177.6	-66.8	178.3	0	0	0	113.3	I31 L34 T50 I51 F52 Y92 F93 F155 P213	I31-L54 HydrophobicContact CG1-CD1 4.46Å; I31-L54 HydrophobicContact CG2-CD1 3.99Å; L34-L54 HydrophobicContact CD2-CD1 4.15Å; T50-L54 HydrophobicContact CG2-CD1 4.12Å; T50-L54 HydrophobicContact CG2-CG 4.36Å; T50-L54 VanDerWaalsContact O-CG 3.32Å; T50-L54 WeakPolarHBondContact O-CG 3.06Å; T50-L54 PolarHBondContact O-N 2.84Å; I51-L54 PolarHBondContact O-N 3.34Å; F52-L54 PolarHBondContact O-N 2.81Å; L54-Y92 HydrophobicContact CB-CD1 4.14Å; L54-Y92 HydrophobicContact CB-CG 4.3Å; L54-F93 HydrophobicContact CD2-CE1 3.72Å; L54-F93 HydrophobicContact CD2-CZ 3.77Å; L54-F155 HydrophobicContact CD1-CE2 3.92Å; L54-F155 HydrophobicContact CD1-CZ 3.94Å; L54-F155 HydrophobicContact CD2-CE2 4.1Å; L54-F155 HydrophobicContact CG-CE2 4.35Å; L54-P213 HydrophobicContact CD2-CB 4.07Å; L54-P213 HydrophobicContact CD2-CG 3.95Å
55	T	86.7	Confident	89.3	Confident	38 Å²	38	49.3 Å²	49.3	23%	0.233	27%	0.269	C	S	.	.	H	α-helix	trans	-113.7	-19.8	-169.1	66.1	0	0	0	0	114.3	T27 I31 I51 Q57 Y92	T27-T55 HydrophobicContact CG2-CG2 4.17Å; I31-T55 HydrophobicContact CD1-CG2 3.52Å; I51-T55 HydrophobicContact CG2-CG2 4.38Å; I51-T55 WeakPolarHBondContact O-CB 3.29Å; I51-T55 PolarHBondContact O-N 3.18Å; I51-T55 PolarHBondContact O-OG1 3.4Å; T55-Q57 PolarHBondContact O-N 2.79Å; T55-Q57 PolarHBondContact OG1-N 3.41Å; T55-Q57 VanDerWaalsContact OG1-N 3.11Å; T55-Q57 PolarHBondContact OG1-O 2.77Å; T55-Y92 HydrophobicContact CG2-CD1 4.4Å; T55-Y92 HydrophobicContact CG2-CE1 3.97Å
56	G	84.6	Confident	89.1	Confident	50 Å²	50	49.1 Å²	49.1	52%	0.515	27%	0.273	S	S	.	.	S	Bend	trans	70.5	7.1	-168.2	0	0	0	0	0	114.1	F52	F52-G56 WeakPolarHBondContact O-CA 3.32Å; F52-G56 PolarHBondContact O-N 2.96Å
57	Q	86.4	Confident	88.9	Confident	107 Å²	107	48 Å²	48	50%	0.5	27%	0.266	S	S	.	.			trans	-112	137.3	-176.4	-65.4	177.2	-17.4	0	0	110.8	F52 T55 Y59	F52-Q57 WeakPolarHBondContact CA-O 3.09Å; T55-Q57 PolarHBondContact O-N 2.79Å; T55-Q57 PolarHBondContact OG1-N 3.41Å; T55-Q57 VanDerWaalsContact OG1-N 3.11Å; T55-Q57 PolarHBondContact OG1-O 2.77Å; Q57-Y59 HydrophobicContact CB-CD2 4.39Å; Q57-Y59 HydrophobicContact CB-CE2 3.69Å; Q57-Y59 PolarHBondContact OE1-OH 3.09Å
58	E	86.4	Confident	88.6	Confident	163 Å²	163	48 Å²	48	76%	0.762	27%	0.266	S	S	*	.			trans	-90.9	137.1	170.7	-64.1	-177.6	174.9	0	0	109.1	F52	F52-E58 HydrophobicContact CD2-CG 3.6Å; F52-E58 HydrophobicContact CE2-CG 3.92Å
59	Y	86.9	Confident	88.4	Confident	39 Å²	39	51 Å²	51	15%	0.153	28%	0.282	C	S	.	.			trans	-120.4	147.3	177.4	-68.6	-92.9	0	0	0	108.8	A24 I28 I51 Q57	A24-Y59 HydrophobicContact CB-CD1 4.3Å; A24-Y59 HydrophobicContact CB-CE1 3.76Å; I28-Y59 HydrophobicContact CD1-CD1 3.68Å; I28-Y59 HydrophobicContact CD1-CE1 4.25Å; I28-Y59 HydrophobicContact CD1-CG 4.09Å; I28-Y59 HydrophobicContact CG1-CD1 3.95Å; I28-Y59 HydrophobicContact CG1-CE1 4.15Å; I28-Y59 HydrophobicContact CG1-CG 4.2Å; I51-Y59 HydrophobicContact CG2-CD2 3.29Å; I51-Y59 HydrophobicContact CG2-CE2 3.38Å; I51-Y59 HydrophobicContact CG2-CG 4.41Å; Q57-Y59 HydrophobicContact CB-CD2 4.39Å; Q57-Y59 HydrophobicContact CB-CE2 3.69Å; Q57-Y59 PolarHBondContact OE1-OH 3.09Å
60	A	86	Confident	88.1	Confident	54 Å²	54	53.8 Å²	53.8	45%	0.446	30%	0.295	S	S	.	.			trans	-67.6	142.3	176.4	0	0	0	0	0	110.2	D62 D63 I64	A60-D62 PolarHBondContact O-N 2.82Å; A60-D62 VanDerWaalsContact O-N 3.14Å; A60-D63 WeakPolarHBondContact O-CB 3.06Å; A60-D63 PolarHBondContact O-N 3.45Å; A60-I64 PolarHBondContact O-N 3.41Å
61	D	85.8	Confident	87.5	Confident	83 Å²	83	56.8 Å²	56.8	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-53.9	-35.9	177.1	-79.6	0	0	0	0	111.9	D63 I64 R65	D61-D63 VanDerWaalsContact C-N 3.34Å; D61-D63 PolarHBondContact O-N 3.4Å; D61-I64 PolarHBondContact O-N 2.91Å; D61-R65 VanDerWaalsContact O-CB 3.32Å; D61-R65 WeakPolarHBondContact O-CB 3.01Å; D61-R65 WeakPolarHBondContact O-CG 3.09Å; D61-R65 PolarHBondContact O-N 3.21Å
62	D	87.5	Confident	87.2	Confident	126 Å²	126	57.6 Å²	57.6	67%	0.674	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-36.2	178.6	-70.4	-20.4	0	0	0	112.6	A60 R65 S66	A60-D62 PolarHBondContact O-N 2.82Å; A60-D62 VanDerWaalsContact O-N 3.14Å; D62-R65 PolarHBondContact O-N 2.69Å; D62-S66 WeakPolarHBondContact O-CB 2.71Å; D62-S66 PolarHBondContact O-N 2.65Å
63	D	88.5	Confident	87	Confident	80 Å²	80	59.6 Å²	59.6	43%	0.428	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-44.5	176.5	-64.7	-39.3	0	0	0	110.7	I28 A60 D61 R65 S66 V67	I28-D63 HydrophobicContact CD1-CB 3.82Å; A60-D63 WeakPolarHBondContact O-CB 3.06Å; A60-D63 PolarHBondContact O-N 3.45Å; D61-D63 VanDerWaalsContact C-N 3.34Å; D61-D63 PolarHBondContact O-N 3.4Å; D63-R65 VanDerWaalsContact C-N 3.32Å; D63-R65 PolarHBondContact O-N 3.41Å; D63-S66 PolarHBondContact O-N 3.23Å; D63-V67 WeakPolarHBondContact O-CG2 3.43Å; D63-V67 PolarHBondContact O-N 3.23Å; D63-V67 VanDerWaalsContact O-N 3.17Å
64	I	89	Confident	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-43.1	177.4	-58.6	172.3	0	0	0	110	I28 L44 I47 A48 I51 A60 D61 A68	I28-I64 HydrophobicContact CD1-CG1 4.31Å; L44-I64 HydrophobicContact CD2-CG2 3.74Å; I47-I64 HydrophobicContact CG2-CG2 3.83Å; A48-I64 HydrophobicContact CB-CD1 3.71Å; I51-I64 HydrophobicContact CD1-CD1 3.9Å; I51-I64 HydrophobicContact CD1-CG1 4.06Å; A60-I64 PolarHBondContact O-N 3.41Å; D61-I64 PolarHBondContact O-N 2.91Å; I64-A68 WeakPolarHBondContact O-CB 3.19Å; I64-A68 PolarHBondContact O-N 2.75Å
65	R	90.6	Very high	86.6	Confident	64 Å²	64	65.8 Å²	65.8	24%	0.242	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-48.1	176.2	-77	170.6	171	-80.7	-10.2	111.4	L44 D61 D62 D63 V67 A68 T69 L74 D76	L44-R65 HydrophobicContact CD1-CG 3.61Å; L44-R65 VanDerWaalsContact CD1-CZ 3.43Å; L44-R65 VanDerWaalsContact CD1-NH2 3.32Å; L44-R65 HydrophobicContact CD2-CG 4.44Å; D61-R65 VanDerWaalsContact O-CB 3.32Å; D61-R65 WeakPolarHBondContact O-CB 3.01Å; D61-R65 WeakPolarHBondContact O-CG 3.09Å; D61-R65 PolarHBondContact O-N 3.21Å; D62-R65 PolarHBondContact O-N 2.69Å; D63-R65 VanDerWaalsContact C-N 3.32Å; D63-R65 PolarHBondContact O-N 3.41Å; R65-V67 PolarHBondContact O-N 3.06Å; R65-A68 PolarHBondContact O-N 3.24Å; R65-T69 WeakPolarHBondContact O-CG2 3.39Å; R65-T69 PolarHBondContact O-N 2.82Å; R65-T69 PolarHBondContact O-OG1 2.78Å; R65-T69 VanDerWaalsContact O-OG1 3.05Å; R65-L74 HydrophobicContact CB-CD2 4.13Å; R65-L74 HydrophobicContact CG-CD2 3.92Å; R65-D76 PolarHBondContact NH1-O 3.41Å; R65-D76 PolarHBondContact NH2-O 3.29Å
66	S	88.6	Confident	86.7	Confident	60 Å²	60	70.5 Å²	70.5	42%	0.42	39%	0.386	S	S	.	.	H	α-helix	trans	-56	-52.2	-179.9	-169.2	0	0	0	0	111.2	D62 D63 A68 T69 E70	D62-S66 WeakPolarHBondContact O-CB 2.71Å; D62-S66 PolarHBondContact O-N 2.65Å; D63-S66 PolarHBondContact O-N 3.23Å; S66-A68 PolarHBondContact O-N 3.5Å; S66-T69 PolarHBondContact O-N 3.15Å; S66-T69 PolarHBondContact O-OG1 2.72Å; S66-E70 WeakPolarHBondContact O-CG 3.24Å; S66-E70 PolarHBondContact O-N 3Å
67	V	88.7	Confident	86.9	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-40.1	-179.8	-177.1	0	0	0	0	111.4	I28 A29 L32 D63 R65 T69 E70 D71	I28-V67 HydrophobicContact CB-CG2 4.22Å; I28-V67 HydrophobicContact CG2-CB 3.82Å; I28-V67 HydrophobicContact CG2-CG1 4.03Å; I28-V67 HydrophobicContact CG2-CG2 3.97Å; A29-V67 HydrophobicContact CB-CG1 3.72Å; L32-V67 HydrophobicContact CD1-CB 4.18Å; L32-V67 HydrophobicContact CD1-CG1 3.83Å; D63-V67 WeakPolarHBondContact O-CG2 3.43Å; D63-V67 PolarHBondContact O-N 3.23Å; D63-V67 VanDerWaalsContact O-N 3.17Å; R65-V67 PolarHBondContact O-N 3.06Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 2.73Å; V67-E70 PolarHBondContact O-N 3.02Å; V67-D71 PolarHBondContact O-N 3.44Å
68	A	87.2	Confident	87.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-34.7	178.1	0	0	0	0	0	112.7	L32 I64 R65 S66 H72 V79	L32-A68 HydrophobicContact CD1-CB 4.15Å; I64-A68 WeakPolarHBondContact O-CB 3.19Å; I64-A68 PolarHBondContact O-N 2.75Å; R65-A68 PolarHBondContact O-N 3.24Å; S66-A68 PolarHBondContact O-N 3.5Å; A68-H72 CarbonylContact O-C 3.57Å; A68-H72 VanDerWaalsContact O-CA 3.23Å; A68-H72 WeakPolarHBondContact O-CA 2.83Å; A68-H72 VanDerWaalsContact O-CB 3.27Å; A68-H72 WeakPolarHBondContact O-CB 2.97Å; A68-H72 PolarHBondContact O-N 3.22Å; A68-V79 HydrophobicContact CB-CG1 4.19Å; A68-V79 HydrophobicContact CB-CG2 3.98Å
69	T	86.3	Confident	87.4	Confident	87 Å²	87	63.6 Å²	63.6	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-73.9	-24.2	176.6	46.9	0	0	0	0	114.2	R65 S66 V67 L74	R65-T69 WeakPolarHBondContact O-CG2 3.39Å; R65-T69 PolarHBondContact O-N 2.82Å; R65-T69 PolarHBondContact O-OG1 2.78Å; R65-T69 VanDerWaalsContact O-OG1 3.05Å; S66-T69 PolarHBondContact O-N 3.15Å; S66-T69 PolarHBondContact O-OG1 2.72Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 2.73Å; T69-L74 HydrophobicContact CG2-CB 3.94Å; T69-L74 HydrophobicContact CG2-CD2 3.85Å; T69-L74 HydrophobicContact CG2-CG 4.49Å
70	E	84.4	Confident	87.6	Confident	112 Å²	112	64.4 Å²	64.4	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-72.5	-45.9	176.2	-73	173.1	-162.1	0	0	111.4	R21 S66 V67	R21-E70 IonicContact CZ-OE2 3.29Å; R21-E70 VanDerWaalsContact CZ-OE2 3.32Å; R21-E70 IonicContact NE-OE2 2.77Å; R21-E70 PolarHBondContact NE-OE2 3.27Å; R21-E70 VanDerWaalsContact NE-OE2 3.13Å; R21-E70 IonicContact NH2-OE2 3.87Å; R21-E70 PolarHBondContact NH2-OE2 3.01Å; S66-E70 WeakPolarHBondContact O-CG 3.24Å; S66-E70 PolarHBondContact O-N 3Å; V67-E70 PolarHBondContact O-N 3.02Å
71	D	80.8	Confident	87.7	Confident	63 Å²	63	62.5 Å²	62.5	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-108.6	-15.6	-167.9	-63.2	-21.5	0	0	0	113.8	R21 V67	R21-D71 IonicContact CZ-OD1 3.43Å; R21-D71 IonicContact CZ-OD2 3.5Å; R21-D71 VanDerWaalsContact CZ-OD2 3.3Å; R21-D71 IonicContact NH1-OD2 3.52Å; R21-D71 PolarHBondContact NH1-OD2 2.92Å; R21-D71 IonicContact NH2-OD1 3.6Å; R21-D71 PolarHBondContact NH2-OD1 2.95Å; R21-D71 IonicContact NH2-OD2 2.67Å; R21-D71 PolarHBondContact NH2-OD2 2.9Å; V67-D71 PolarHBondContact O-N 3.44Å
72	H	85.3	Confident	87.3	Confident	19 Å²	19	61.5 Å²	61.5	9%	0.088	33%	0.333	C	S	.	.	S	Bend	trans	-139.1	176.6	-171.7	-55.9	-41.1	0	0	0	112.1	A68 V79 F81	A68-H72 CarbonylContact O-C 3.57Å; A68-H72 VanDerWaalsContact O-CA 3.23Å; A68-H72 WeakPolarHBondContact O-CA 2.83Å; A68-H72 VanDerWaalsContact O-CB 3.27Å; A68-H72 WeakPolarHBondContact O-CB 2.97Å; A68-H72 PolarHBondContact O-N 3.22Å; H72-V79 HydrophobicContact CB-CG1 3.9Å; H72-F81 AromaticContact CD2-CD1 3.69Å; H72-F81 AromaticContact NE2-CD1 3.69Å
73	V	86.1	Confident	86.2	Confident	85 Å²	85	60.9 Å²	60.9	52%	0.515	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.8	177.4	-179.5	0	0	0	0	109.5	I75 T80	V73-I75 HydrophobicContact CG1-CD1 4.35Å; V73-I75 HydrophobicContact CG1-CG1 4.18Å; V73-T80 PolarHBondContact N-O 2.78Å; V73-T80 VanDerWaalsContact N-O 3.11Å; V73-T80 PolarHBondContact O-N 3.46Å
74	L	87.5	Confident	85	Confident	37 Å²	37	58.6 Å²	58.6	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.3	174.4	175.4	64.9	0	0	0	110.7	L44 R65 T69 V79	L44-L74 HydrophobicContact CD1-CD1 3.84Å; L44-L74 HydrophobicContact CD1-CD2 4.46Å; L44-L74 HydrophobicContact CD2-CD1 4.4Å; L44-L74 HydrophobicContact CG-CD1 4.12Å; R65-L74 HydrophobicContact CB-CD2 4.13Å; R65-L74 HydrophobicContact CG-CD2 3.92Å; T69-L74 HydrophobicContact CG2-CB 3.94Å; T69-L74 HydrophobicContact CG2-CD2 3.85Å; T69-L74 HydrophobicContact CG2-CG 4.49Å; L74-V79 HydrophobicContact CD1-CG2 3.77Å
75	I	86.4	Confident	83.8	Confident	108 Å²	108	66.3 Å²	66.3	55%	0.554	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.1	170.4	-57.2	175.1	0	0	0	107.9	V73 Q77 K78	V73-I75 HydrophobicContact CG1-CD1 4.35Å; V73-I75 HydrophobicContact CG1-CG1 4.18Å; I75-Q77 PolarHBondContact O-N 2.8Å; I75-K78 PolarHBondContact N-O 3.05Å; I75-K78 PolarHBondContact O-N 3.39Å
76	D	87.2	Confident	82.5	Confident	136 Å²	136	70.5 Å²	70.5	73%	0.727	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-96.2	-174.4	-58.7	-41.3	0	0	0	113.9	R65	R65-D76 PolarHBondContact NH1-O 3.41Å; R65-D76 PolarHBondContact NH2-O 3.29Å
77	Q	90	Very high	81.4	Confident	92 Å²	92	73.3 Å²	73.3	43%	0.43	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	3.4	179.7	-64.8	-69.6	-6.6	0	0	111.9	R43 L44 I75	R43-Q77 CarbonylContact C-O 3.54Å; R43-Q77 VanDerWaalsContact CA-O 3.24Å; R43-Q77 WeakPolarHBondContact CA-O 3.47Å; L44-Q77 PolarHBondContact N-O 2.94Å; I75-Q77 PolarHBondContact O-N 2.8Å
78	K	91.4	Very high	80.7	Confident	83 Å²	83	74 Å²	74	36%	0.361	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.6	-171.7	-166.4	179.5	-172.6	-176.8	0	110.3	E41 I75	E41-K78 WeakPolarHBondContact OE1-CE 3.26Å; E41-K78 IonicContact OE1-NZ 2.79Å; E41-K78 PolarHBondContact OE1-NZ 3.16Å; E41-K78 WeakPolarHBondContact OE2-CE 3.44Å; E41-K78 IonicContact OE2-NZ 2.67Å; E41-K78 PolarHBondContact OE2-NZ 3.44Å; I75-K78 PolarHBondContact N-O 3.05Å; I75-K78 PolarHBondContact O-N 3.39Å
79	V	90.6	Very high	80.4	Confident	0 Å²	0	78 Å²	78	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.3	174.5	-178.4	0	0	0	0	108.2	E41 L42 L44 I47 A68 H72 L74 F81	E41-V79 VanDerWaalsContact CA-O 3.26Å; E41-V79 WeakPolarHBondContact CA-O 3.31Å; L42-V79 PolarHBondContact N-O 3.06Å; L42-V79 PolarHBondContact O-N 3.17Å; L44-V79 HydrophobicContact CD2-CG2 3.61Å; L44-V79 HydrophobicContact CG-CG2 4.13Å; I47-V79 HydrophobicContact CD1-CB 3.75Å; I47-V79 HydrophobicContact CD1-CG1 4.38Å; I47-V79 HydrophobicContact CD1-CG2 3.61Å; A68-V79 HydrophobicContact CB-CG1 4.19Å; A68-V79 HydrophobicContact CB-CG2 3.98Å; H72-V79 HydrophobicContact CB-CG1 3.9Å; L74-V79 HydrophobicContact CD1-CG2 3.77Å; V79-F81 HydrophobicContact CB-CZ 4.5Å; V79-F81 HydrophobicContact CG1-CD1 4.18Å; V79-F81 HydrophobicContact CG1-CE1 3.88Å; V79-F81 HydrophobicContact CG1-CZ 4.14Å
80	T	91.8	Very high	80.3	Confident	57 Å²	57	75.7 Å²	75.7	35%	0.35	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.9	172.3	-54.1	0	0	0	0	108.2	V73	V73-T80 PolarHBondContact N-O 2.78Å; V73-T80 VanDerWaalsContact N-O 3.11Å; V73-T80 PolarHBondContact O-N 3.46Å
81	F	88.2	Confident	80.5	Confident	14 Å²	14	73.8 Å²	73.8	6%	0.061	42%	0.415	C	S	.	.			trans	-79.8	134.4	-175.4	-61.2	-75.3	0	0	0	110.5	L32 L35 A36 A39 K40 L42 I47 H72 V79 S83	L32-F81 HydrophobicContact CB-CE1 4.38Å; L32-F81 HydrophobicContact CD2-CE1 4Å; L32-F81 HydrophobicContact CD2-CZ 4.49Å; L35-F81 HydrophobicContact CB-CE1 4.04Å; L35-F81 HydrophobicContact CB-CE2 4.25Å; L35-F81 HydrophobicContact CB-CZ 3.74Å; L35-F81 HydrophobicContact CD1-CZ 4.25Å; A36-F81 HydrophobicContact CB-CB 3.59Å; A36-F81 HydrophobicContact CB-CD1 3.82Å; A36-F81 HydrophobicContact CB-CG 3.85Å; A39-F81 HydrophobicContact CB-CD2 4.49Å; A39-F81 HydrophobicContact CB-CE2 4.42Å; A39-F81 WeakPolarHBondContact O-CD2 3.28Å; K40-F81 PolarHBondContact O-N 3.44Å; L42-F81 HydrophobicContact CB-CE2 3.88Å; L42-F81 HydrophobicContact CB-CZ 4.3Å; L42-F81 HydrophobicContact CD1-CE2 3.85Å; L42-F81 HydrophobicContact CD1-CZ 4.14Å; L42-F81 HydrophobicContact CG-CE2 3.84Å; L42-F81 HydrophobicContact CG-CZ 4.47Å; I47-F81 HydrophobicContact CD1-CZ 3.93Å; I47-F81 HydrophobicContact CG1-CZ 4.43Å; H72-F81 AromaticContact CD2-CD1 3.69Å; H72-F81 AromaticContact NE2-CD1 3.69Å; V79-F81 HydrophobicContact CB-CZ 4.5Å; V79-F81 HydrophobicContact CG1-CD1 4.18Å; V79-F81 HydrophobicContact CG1-CE1 3.88Å; V79-F81 HydrophobicContact CG1-CZ 4.14Å; F81-S83 PolarHBondContact O-N 3.08Å
82	A	76.9	Confident	80.9	Confident	62 Å²	62	72.3 Å²	72.3	51%	0.512	41%	0.405	S	S	.	.			trans	-68.1	130.3	164.3	0	0	0	0	0	108.2	G84	A82-G84 PolarHBondContact O-N 2.93Å
83	S	64.9	Low	81.1	Confident	113 Å²	113	71.5 Å²	71.5	79%	0.79	40%	0.401	S	S	*	.			trans	-54.7	112.5	175.6	-48.6	0	0	0	0	109.1	F81	F81-S83 PolarHBondContact O-N 3.08Å
84	G	63.5	Low	81.1	Confident	31 Å²	31	67.5 Å²	67.5	32%	0.32	38%	0.377	S	S	.	.			trans	-80	156	168.5	0	0	0	0	0	109.9	R37 A82	R37-G84 PolarHBondContact NH1-O 3.11Å; R37-G84 PolarHBondContact NH2-O 3.16Å; A82-G84 PolarHBondContact O-N 2.93Å
85	D	62.5	Low	80.7	Confident	163 Å²	163	69.8 Å²	69.8	87%	0.872	39%	0.393	S	S	*	.			trans	-108.1	-19.4	170.9	-75.6	-31.6	0	0	0	115.4	R37	R37-D85 VanDerWaalsContact NH1-CA 3.32Å; R37-D85 PolarHBondContact NH1-O 3.27Å; R37-D85 VanDerWaalsContact NH2-C 3.33Å
86	Q	63.5	Low	80.2	Confident	152 Å²	152	68.8 Å²	68.8	71%	0.71	39%	0.388	S	S	*	.	S	Bend	trans	-61.8	146.2	173.9	-59.6	-177.7	-13.9	0	0	117.7	R37	R37-Q86 PolarHBondContact NE-O 3.21Å; R37-Q86 PolarHBondContact NH1-O 2.91Å; R37-Q86 PolarHBondContact NH2-O 2.82Å
87	P	66	Low	79.4	Confident	118 Å²	118	64.5 Å²	64.5	77%	0.766	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-58.3	144.5	175.1	24.5	-33.5	0	0	0	112.5	N89	P87-N89 PolarHBondContact O-N 3.5Å
88	P	74.2	Confident	78.4	Confident	23 Å²	23	64.2 Å²	64.2	15%	0.149	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.5	134.8	177.1	26	-32.8	0	0	0	110.1	L34 R37 F38 L90 Y160	L34-P88 HydrophobicContact CD1-CB 3.73Å; R37-P88 HydrophobicContact CG-CB 4.12Å; F38-P88 HydrophobicContact CE2-CB 4.26Å; P88-L90 HydrophobicContact CB-CD2 4.04Å; P88-L90 HydrophobicContact CG-CD2 4.05Å; P88-L90 HydrophobicContact CG-CG 4.44Å; P88-L90 PolarHBondContact O-N 2.81Å; P88-Y160 HydrophobicContact CG-CE1 4.19Å; P88-Y160 WeakPolarHBondContact CG-OH 3.46Å
89	N	80.6	Confident	77.1	Confident	84 Å²	84	64.9 Å²	64.9	45%	0.449	39%	0.385	S	S	.	.			trans	-73.7	109	167	-175.8	-0.7	0	0	0	108.7	P87 E91	P87-N89 PolarHBondContact O-N 3.5Å; N89-E91 VanDerWaalsContact C-N 3.26Å; N89-E91 PolarHBondContact ND2-OE1 2.69Å; N89-E91 PolarHBondContact ND2-OE2 2.77Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 VanDerWaalsContact OD1-CB 3.31Å; N89-E91 WeakPolarHBondContact OD1-CB 3.43Å; N89-E91 PolarHBondContact OD1-N 3.4Å; N89-E91 VanDerWaalsContact OD1-N 3.09Å
90	L	84.7	Confident	75.6	Confident	37 Å²	37	68 Å²	68	19%	0.194	40%	0.397	C	S	.	.			trans	-88.3	17.2	-177.6	-60.2	-178.3	0	0	0	113.4	P88 Y92 F93 T95 Y160 L211	P88-L90 HydrophobicContact CB-CD2 4.04Å; P88-L90 HydrophobicContact CG-CD2 4.05Å; P88-L90 HydrophobicContact CG-CG 4.44Å; P88-L90 PolarHBondContact O-N 2.81Å; L90-Y92 PolarHBondContact O-N 2.88Å; L90-F93 HydrophobicContact CB-CD2 4.33Å; L90-F93 HydrophobicContact CD2-CD2 3.92Å; L90-F93 HydrophobicContact CD2-CE2 4.31Å; L90-F93 PolarHBondContact O-N 3.01Å; L90-T95 HydrophobicContact CB-CG2 4.25Å; L90-T95 HydrophobicContact CD1-CG2 4.41Å; L90-Y160 HydrophobicContact CD1-CD1 4.17Å; L90-L211 HydrophobicContact CD2-CD1 3.86Å
91	E	88.1	Confident	74	Confident	72 Å²	72	70.2 Å²	70.2	34%	0.336	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.1	-176.7	67.7	-172.4	178.5	0	0	114.9	N89 K214	N89-E91 VanDerWaalsContact C-N 3.26Å; N89-E91 PolarHBondContact ND2-OE1 2.69Å; N89-E91 PolarHBondContact ND2-OE2 2.77Å; N89-E91 PolarHBondContact O-N 2.88Å; N89-E91 VanDerWaalsContact OD1-CB 3.31Å; N89-E91 WeakPolarHBondContact OD1-CB 3.43Å; N89-E91 PolarHBondContact OD1-N 3.4Å; N89-E91 VanDerWaalsContact OD1-N 3.09Å; E91-K214 VanDerWaalsContact O-CD 3.28Å; E91-K214 WeakPolarHBondContact O-CD 3.25Å; E91-K214 WeakPolarHBondContact O-CE 3.43Å; E91-K214 PolarHBondContact O-NZ 2.9Å
92	Y	88.5	Confident	73.3	Confident	32 Å²	32	71.9 Å²	71.9	13%	0.125	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.7	178.6	-57.6	-80.9	0	0	0	114	I31 L34 L54 T55 L90 P213 K214	I31-Y92 HydrophobicContact CD1-CE1 4.41Å; I31-Y92 HydrophobicContact CG1-CE1 4.46Å; I31-Y92 HydrophobicContact CG1-CE2 4.05Å; L34-Y92 HydrophobicContact CD2-CD2 4.22Å; L54-Y92 HydrophobicContact CB-CD1 4.14Å; L54-Y92 HydrophobicContact CB-CG 4.3Å; T55-Y92 HydrophobicContact CG2-CD1 4.4Å; T55-Y92 HydrophobicContact CG2-CE1 3.97Å; L90-Y92 PolarHBondContact O-N 2.88Å; Y92-P213 WeakPolarHBondContact O-CA 3.43Å; Y92-K214 PolarHBondContact O-N 3.38Å
93	F	90.6	Very high	73.5	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.009	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-112.7	159.9	-176	-53.9	-78.4	0	0	0	111.5	L34 L54 L90 F155 L211 I212 P213 K214	L34-F93 HydrophobicContact CD1-CE2 4.29Å; L34-F93 HydrophobicContact CD2-CE2 3.68Å; L34-F93 HydrophobicContact CD2-CZ 4.05Å; L54-F93 HydrophobicContact CD2-CE1 3.72Å; L54-F93 HydrophobicContact CD2-CZ 3.77Å; L90-F93 HydrophobicContact CB-CD2 4.33Å; L90-F93 HydrophobicContact CD2-CD2 3.92Å; L90-F93 HydrophobicContact CD2-CE2 4.31Å; L90-F93 PolarHBondContact O-N 3.01Å; F93-F155 HydrophobicContact CE1-CB 4.29Å; F93-F155 AromaticContact CE1-CD2 3.62Å; F93-F155 HydrophobicContact CE1-CD2 3.62Å; F93-F155 HydrophobicContact CE1-CE2 4.21Å; F93-F155 HydrophobicContact CE1-CG 4.07Å; F93-F155 HydrophobicContact CE2-CG 4.45Å; F93-F155 HydrophobicContact CZ-CB 4.08Å; F93-F155 HydrophobicContact CZ-CD1 4.1Å; F93-F155 AromaticContact CZ-CD2 3.32Å; F93-F155 HydrophobicContact CZ-CD2 3.32Å; F93-F155 HydrophobicContact CZ-CE1 4.41Å; F93-F155 AromaticContact CZ-CE2 3.68Å; F93-F155 HydrophobicContact CZ-CE2 3.68Å; F93-F155 AromaticContact CZ-CG 3.55Å; F93-F155 HydrophobicContact CZ-CG 3.55Å; F93-F155 HydrophobicContact CZ-CZ 4.2Å; F93-L211 HydrophobicContact CB-CB 4.33Å; F93-L211 HydrophobicContact CD1-CB 3.4Å; F93-L211 VanDerWaalsContact CD1-CB 3.4Å; F93-L211 HydrophobicContact CD1-CD1 4.36Å; F93-L211 HydrophobicContact CD2-CD1 4.05Å; F93-L211 HydrophobicContact CE1-CB 3.78Å; F93-L211 HydrophobicContact CE2-CD1 4.2Å; F93-L211 HydrophobicContact CG-CB 3.83Å; F93-L211 HydrophobicContact CG-CD1 4.14Å; F93-L211 HydrophobicContact CZ-CB 4.49Å; F93-L211 HydrophobicContact CZ-CD1 4.44Å; F93-I212 WeakPolarHBondContact CA-O 3.42Å; F93-P213 HydrophobicContact CE1-CG 4.33Å; F93-K214 VanDerWaalsContact O-CE 3.31Å; F93-K214 WeakPolarHBondContact O-CE 3.35Å
94	I	86.7	Confident	74.4	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	38%	0.383	C	S	.	.			trans	-81.1	121.8	173	-60.2	-68.9	0	0	0	109.3	D96 Y100 M165 I212 K214 F217	I94-D96 WeakPolarHBondContact CG2-O 3.11Å; I94-Y100 HydrophobicContact CD1-CD2 3.39Å; I94-Y100 HydrophobicContact CD1-CE2 3.15Å; I94-Y100 HydrophobicContact CD1-CG 4.44Å; I94-M165 WeakPolarHBondContact O-CE 3.46Å; I94-I212 HydrophobicContact CB-CG2 3.93Å; I94-I212 HydrophobicContact CG1-CG2 4.15Å; I94-I212 PolarHBondContact N-O 3.05Å; I94-K214 HydrophobicContact CD1-CB 4.39Å; I94-K214 HydrophobicContact CD1-CG 3.63Å; I94-K214 HydrophobicContact CG1-CG 4.2Å; I94-F217 HydrophobicContact CB-CD1 4.38Å; I94-F217 HydrophobicContact CB-CG 4.4Å; I94-F217 HydrophobicContact CD1-CB 3.99Å; I94-F217 HydrophobicContact CD1-CD1 3.3Å; I94-F217 HydrophobicContact CD1-CE1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.87Å; I94-F217 HydrophobicContact CG1-CB 3.46Å; I94-F217 VanDerWaalsContact CG1-CB 3.46Å; I94-F217 HydrophobicContact CG1-CD1 3.44Å; I94-F217 VanDerWaalsContact CG1-CD1 3.44Å; I94-F217 HydrophobicContact CG1-CD2 4.22Å; I94-F217 HydrophobicContact CG1-CE1 4.12Å; I94-F217 HydrophobicContact CG1-CG 3.47Å; I94-F217 VanDerWaalsContact CG1-CG 3.47Å; I94-F217 HydrophobicContact CG2-CD1 4.16Å; I94-F217 HydrophobicContact CG2-CE1 3.96Å; I94-F217 HydrophobicContact CG2-CE2 4.5Å; I94-F217 HydrophobicContact CG2-CG 4.46Å; I94-F217 HydrophobicContact CG2-CZ 4.15Å
95	T	78.8	Confident	75.4	Confident	86 Å²	86	67.5 Å²	67.5	53%	0.528	37%	0.368	S	S	.	.	S	Bend	trans	-108.5	-19.4	172.5	52.9	0	0	0	0	112.5	L90	L90-T95 HydrophobicContact CB-CG2 4.25Å; L90-T95 HydrophobicContact CD1-CG2 4.41Å
96	D	75.6	Confident	76.6	Confident	86 Å²	86	64 Å²	64	46%	0.46	34%	0.343	S	S	.	.			trans	-140	137	175.5	-166.5	-19.5	0	0	0	110.2	I94 A98	I94-D96 WeakPolarHBondContact CG2-O 3.11Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact OD1-N 3.33Å
97	T	70.4	Confident	77.7	Confident	47 Å²	47	58.2 Å²	58.2	29%	0.288	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-78.7	-18.5	-176.8	64.6	0	0	0	0	113.4	E99 A166	T97-E99 PolarHBondContact O-N 2.78Å; T97-A166 HydrophobicContact CG2-CB 4.41Å
98	A	69.3	Low	78.5	Confident	85 Å²	85	52.7 Å²	52.7	70%	0.702	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66.1	-16.8	177.8	0	0	0	0	0	113.4	D96 Y100	D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact OD1-N 3.33Å; A98-Y100 PolarHBondContact O-N 2.93Å
99	E	63.1	Low	78.8	Confident	98 Å²	98	53.1 Å²	53.1	46%	0.458	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-74.4	-17.6	-174.2	-67.2	-174.7	-179	0	0	114.5	T97	T97-E99 PolarHBondContact O-N 2.78Å
100	Y	58.9	Low	78.9	Confident	66 Å²	66	53.2 Å²	53.2	26%	0.259	28%	0.282	S	S	.	.	S	Bend	trans	-137.9	129	-175	-60.6	-99.7	0	0	0	112.6	I94 A98 R102 K214 F217	I94-Y100 HydrophobicContact CD1-CD2 3.39Å; I94-Y100 HydrophobicContact CD1-CE2 3.15Å; I94-Y100 HydrophobicContact CD1-CG 4.44Å; A98-Y100 PolarHBondContact O-N 2.93Å; Y100-R102 PolarHBondContact O-N 2.69Å; Y100-R102 VanDerWaalsContact O-N 3.15Å; Y100-K214 HydrophobicContact CE2-CG 4.42Å; Y100-K214 WeakPolarHBondContact OH-CD 3.35Å; Y100-F217 AromaticContact CD2-CD1 3.64Å; Y100-F217 HydrophobicContact CD2-CD1 3.64Å; Y100-F217 AromaticContact CD2-CE1 3.8Å; Y100-F217 HydrophobicContact CD2-CE1 3.8Å; Y100-F217 HydrophobicContact CE2-CD1 4.49Å; Y100-F217 AromaticContact CG-CD1 3.79Å; Y100-F217 HydrophobicContact CG-CD1 3.79Å; Y100-F217 HydrophobicContact CG-CE1 4.03Å
101	P	59.4	Low	78.5	Confident	102 Å²	102	57.9 Å²	57.9	66%	0.662	30%	0.297	S	S	*	.			trans	-64.1	117.2	170.9	26.4	-31.6	0	0	0	109.2
102	R	74	Confident	77	Confident	50 Å²	50	56.5 Å²	56.5	19%	0.189	30%	0.303	C	S	.	.			trans	-77.4	-36	-174.9	-68.6	178.8	174.5	-165.6	-5.4	112.5	Y100 F217 P220 V221	Y100-R102 PolarHBondContact O-N 2.69Å; Y100-R102 VanDerWaalsContact O-N 3.15Å; R102-F217 HydrophobicContact CG-CZ 4.42Å; R102-P220 CarbonylContact O-C 3.45Å; R102-P220 WeakPolarHBondContact O-CA 3.14Å; R102-V221 PolarHBondContact O-N 3.15Å
103	F	80.5	Confident	75.6	Confident	24 Å²	24	62.7 Å²	62.7	11%	0.105	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-115	132.3	-173.4	-56.4	-82.1	0	0	0	110.1	V221 V223 F224 V265 T267 G268	F103-V221 HydrophobicContact CD1-CB 3.88Å; F103-V221 HydrophobicContact CD1-CG1 4.12Å; F103-V221 HydrophobicContact CE1-CB 3.59Å; F103-V221 HydrophobicContact CE1-CG1 3.46Å; F103-V221 VanDerWaalsContact CE1-CG1 3.46Å; F103-V221 HydrophobicContact CZ-CB 4.29Å; F103-V221 HydrophobicContact CZ-CG1 4.22Å; F103-V223 WeakPolarHBondContact CE1-O 3.03Å; F103-F224 HydrophobicContact CB-CE1 3.7Å; F103-F224 HydrophobicContact CB-CZ 3.78Å; F103-F224 HydrophobicContact CD1-CD1 4.33Å; F103-F224 AromaticContact CD1-CE1 3.95Å; F103-F224 HydrophobicContact CD1-CE1 3.95Å; F103-F224 HydrophobicContact CD1-CE2 4.34Å; F103-F224 AromaticContact CD1-CZ 3.95Å; F103-F224 HydrophobicContact CD1-CZ 3.95Å; F103-F224 HydrophobicContact CG-CE1 4.1Å; F103-F224 HydrophobicContact CG-CZ 4.3Å; F103-V265 WeakPolarHBondContact CD2-O 3.47Å; F103-T267 VanDerWaalsContact CE2-C 3.42Å; F103-G268 VanDerWaalsContact CD2-CA 3.47Å; F103-G268 VanDerWaalsContact CD2-N 3.28Å; F103-G268 VanDerWaalsContact CE2-N 3.3Å
104	I	83.4	Confident	74.1	Confident	87 Å²	87	71.1 Å²	71.1	45%	0.446	38%	0.375	S	S	.	.			trans	-118.4	95.5	173.4	-55.8	-174.3	0	0	0	107.3	Y106 P220	I104-Y106 HydrophobicContact CG2-CE2 4.25Å; I104-P220 HydrophobicContact CB-CB 4.36Å; I104-P220 HydrophobicContact CB-CG 4.43Å; I104-P220 HydrophobicContact CD1-CB 4.19Å; I104-P220 HydrophobicContact CD1-CG 3.44Å; I104-P220 VanDerWaalsContact CD1-CG 3.44Å; I104-P220 HydrophobicContact CG1-CB 4.02Å; I104-P220 HydrophobicContact CG1-CG 3.85Å
105	A	85	Confident	73.1	Confident	2 Å²	2	73.4 Å²	73.4	2%	0.017	40%	0.399	C	S	.	.			trans	-145.3	149	168.9	0	0	0	0	0	108.3	L136 F224 F260 V263	A105-L136 HydrophobicContact CB-CD1 4.4Å; A105-F224 HydrophobicContact CB-CE1 3.71Å; A105-F224 HydrophobicContact CB-CE2 4.42Å; A105-F224 HydrophobicContact CB-CZ 3.54Å; A105-F260 HydrophobicContact CB-CD2 4.26Å; A105-F260 HydrophobicContact CB-CE2 4.01Å; A105-F260 HydrophobicContact CB-CZ 4.46Å; A105-V263 HydrophobicContact CB-CG2 4.23Å
106	Y	86.5	Confident	72.8	Confident	90 Å²	90	72.3 Å²	72.3	35%	0.353	39%	0.387	S	S	.	.			trans	-119.2	143.6	-179.5	-59.8	-68.3	0	0	0	110.1	I104 H110 Y119	I104-Y106 HydrophobicContact CG2-CE2 4.25Å; Y106-H110 AromaticContact CD1-CD2 3.49Å; Y106-H110 VanDerWaalsContact CD1-CD2 3.49Å; Y106-H110 WeakPolarHBondContact CD1-CD2 3.29Å; Y106-H110 AromaticContact CD1-CE1 3.39Å; Y106-H110 WeakPolarHBondContact CD1-CE1 3.22Å; Y106-H110 AromaticContact CD1-CG 3.64Å; Y106-H110 AromaticContact CD1-ND1 3.57Å; Y106-H110 AromaticContact CD1-NE2 3.35Å; Y106-H110 VanDerWaalsContact CD1-NE2 3.35Å; Y106-H110 WeakPolarHBondContact CD1-NE2 3.33Å; Y106-H110 AromaticContact CE1-CE1 3.62Å; Y106-H110 AromaticContact CE1-NE2 3.43Å; Y106-H110 WeakPolarHBondContact CE1-NE2 3.37Å; Y106-H110 HydrophobicContact CG-CB 4.33Å; Y106-H110 AromaticContact CG-CD2 3.54Å; Y106-H110 AromaticContact CG-CG 3.76Å; Y106-H110 AromaticContact CG-NE2 3.87Å; Y106-Y119 PolarHBondContact N-OH 3.24Å; Y106-Y119 PolarHBondContact O-OH 3.3Å
107	P	87.1	Confident	73.1	Confident	30 Å²	30	69.3 Å²	69.3	20%	0.195	37%	0.371	C	S	.	.			trans	-64.2	161.6	171.3	31.4	-36.2	0	0	0	110.5	D109 H110 F260	P107-D109 WeakPolarHBondContact CB-OD1 3.26Å; P107-D109 WeakPolarHBondContact CG-OD1 3.35Å; P107-D109 PolarHBondContact O-N 2.91Å; P107-H110 HydrophobicContact CG-CB 4.37Å; P107-H110 VanDerWaalsContact O-CB 3.31Å; P107-H110 WeakPolarHBondContact O-CB 2.98Å; P107-H110 PolarHBondContact O-N 2.9Å; P107-H110 VanDerWaalsContact O-N 3.13Å; P107-F260 CarbonylContact C-O 3.48Å; P107-F260 WeakPolarHBondContact CA-O 3.49Å
108	F	82.7	Confident	74	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.009	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.3	-173.2	65.5	-99.1	0	0	0	114.9	V117 V259 F260 T261 V301 R304 F306 L310	F108-V117 PolarHBondContact O-N 3.13Å; F108-V259 HydrophobicContact CB-CG1 3.44Å; F108-V259 VanDerWaalsContact CB-CG1 3.44Å; F108-V259 HydrophobicContact CD1-CG1 4.48Å; F108-V259 HydrophobicContact CG-CG1 4.33Å; F108-F260 VanDerWaalsContact CD1-O 3.25Å; F108-F260 WeakPolarHBondContact CD1-O 3.41Å; F108-F260 PolarHBondContact N-O 3.24Å; F108-T261 HydrophobicContact CD1-CG2 4.2Å; F108-T261 HydrophobicContact CE1-CG2 4.1Å; F108-V301 HydrophobicContact CE1-CG1 4.31Å; F108-V301 HydrophobicContact CE1-CG2 3.85Å; F108-V301 HydrophobicContact CZ-CB 4.32Å; F108-V301 HydrophobicContact CZ-CG1 3.87Å; F108-V301 HydrophobicContact CZ-CG2 3.94Å; F108-R304 VanDerWaalsContact CZ-CZ 3.47Å; F108-F306 HydrophobicContact CD2-CB 3.64Å; F108-F306 AromaticContact CD2-CD1 3.81Å; F108-F306 HydrophobicContact CD2-CD1 3.81Å; F108-F306 HydrophobicContact CD2-CD2 4.18Å; F108-F306 AromaticContact CD2-CG 3.64Å; F108-F306 HydrophobicContact CD2-CG 3.64Å; F108-F306 HydrophobicContact CE2-CB 3.11Å; F108-F306 AromaticContact CE2-CD1 3.92Å; F108-F306 HydrophobicContact CE2-CD1 3.92Å; F108-F306 AromaticContact CE2-CD2 3.49Å; F108-F306 HydrophobicContact CE2-CD2 3.49Å; F108-F306 VanDerWaalsContact CE2-CD2 3.49Å; F108-F306 HydrophobicContact CE2-CE2 4.34Å; F108-F306 AromaticContact CE2-CG 3.25Å; F108-F306 HydrophobicContact CE2-CG 3.25Å; F108-F306 HydrophobicContact CZ-CB 3.97Å; F108-F306 HydrophobicContact CZ-CD2 4.48Å; F108-F306 HydrophobicContact CZ-CG 4.4Å; F108-L310 HydrophobicContact CD1-CD1 3.77Å; F108-L310 HydrophobicContact CE1-CD1 3.85Å; F108-L310 HydrophobicContact CG-CD1 4.17Å; F108-L310 HydrophobicContact CZ-CD1 4.31Å
109	D	81.9	Confident	75	Confident	32 Å²	32	67.4 Å²	67.4	17%	0.171	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	3.1	-174.8	53.5	-5.6	0	0	0	113.7	P107 Y111 G112 R304 F306	P107-D109 WeakPolarHBondContact CB-OD1 3.26Å; P107-D109 WeakPolarHBondContact CG-OD1 3.35Å; P107-D109 PolarHBondContact O-N 2.91Å; D109-Y111 PolarHBondContact O-N 3.47Å; D109-G112 PolarHBondContact O-N 2.75Å; D109-R304 IonicContact OD1-NH1 3.46Å; D109-R304 PolarHBondContact OD1-NH1 2.9Å; D109-R304 WeakPolarHBondContact OD2-CD 3.45Å; D109-R304 IonicContact OD2-CZ 3.57Å; D109-R304 IonicContact OD2-NE 3.65Å; D109-R304 IonicContact OD2-NH1 2.78Å; D109-R304 PolarHBondContact OD2-NH1 3.09Å; D109-F306 HydrophobicContact CB-CD2 3.75Å; D109-F306 HydrophobicContact CB-CE1 4.16Å; D109-F306 HydrophobicContact CB-CE2 3.31Å; D109-F306 HydrophobicContact CB-CG 4.36Å; D109-F306 HydrophobicContact CB-CZ 3.55Å
110	H	81.9	Confident	76.4	Confident	87 Å²	87	70.9 Å²	70.9	40%	0.403	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.8	-171.9	-176.5	66.7	0	0	0	114.3	Y106 P107	Y106-H110 AromaticContact CD1-CD2 3.49Å; Y106-H110 VanDerWaalsContact CD1-CD2 3.49Å; Y106-H110 WeakPolarHBondContact CD1-CD2 3.29Å; Y106-H110 AromaticContact CD1-CE1 3.39Å; Y106-H110 WeakPolarHBondContact CD1-CE1 3.22Å; Y106-H110 AromaticContact CD1-CG 3.64Å; Y106-H110 AromaticContact CD1-ND1 3.57Å; Y106-H110 AromaticContact CD1-NE2 3.35Å; Y106-H110 VanDerWaalsContact CD1-NE2 3.35Å; Y106-H110 WeakPolarHBondContact CD1-NE2 3.33Å; Y106-H110 AromaticContact CE1-CE1 3.62Å; Y106-H110 AromaticContact CE1-NE2 3.43Å; Y106-H110 WeakPolarHBondContact CE1-NE2 3.37Å; Y106-H110 HydrophobicContact CG-CB 4.33Å; Y106-H110 AromaticContact CG-CD2 3.54Å; Y106-H110 AromaticContact CG-CG 3.76Å; Y106-H110 AromaticContact CG-NE2 3.87Å; P107-H110 HydrophobicContact CG-CB 4.37Å; P107-H110 VanDerWaalsContact O-CB 3.31Å; P107-H110 WeakPolarHBondContact O-CB 2.98Å; P107-H110 PolarHBondContact O-N 2.9Å; P107-H110 VanDerWaalsContact O-N 3.13Å
111	Y	76.4	Confident	77.9	Confident	134 Å²	134	67.9 Å²	67.9	53%	0.525	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.8	-178.7	-62.7	-63.2	0	0	0	115	D109 D113 V117	D109-Y111 PolarHBondContact O-N 3.47Å; Y111-D113 PolarHBondContact O-N 3.48Å; Y111-V117 HydrophobicContact CD2-CG2 3.65Å; Y111-V117 HydrophobicContact CE2-CG2 3.96Å
112	G	56.6	Low	79.4	Confident	44 Å²	44	65 Å²	65	45%	0.454	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	-49.3	166.9	0	0	0	0	0	116.1	D109	D109-G112 PolarHBondContact O-N 2.75Å
113	D	59.2	Low	80.2	Confident	162 Å²	162	64.3 Å²	64.3	87%	0.866	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.1	-3.6	-174.8	-73.3	-44.2	0	0	0	113.7	Y111	Y111-D113 PolarHBondContact O-N 3.48Å
114	K	58	Low	80.5	Confident	178 Å²	178	66.6 Å²	66.6	77%	0.774	34%	0.344	S	S	*	.	S	Bend	trans	-109.5	76.6	-171.2	-67	-175.5	-178.4	177.2	0	112.4
115	G	65.9	Low	80.7	Confident	49 Å²	49	68.9 Å²	68.9	51%	0.505	35%	0.347	S	S	.	.			trans	68.6	158.2	168.8	0	0	0	0	0	115.1	V117	G115-V117 PolarHBondContact O-N 3Å
116	K	74	Confident	80.9	Confident	64 Å²	64	69.9 Å²	69.9	28%	0.278	35%	0.351	S	S	.	.			trans	-68.2	123.2	173.2	170.2	-177.7	165.7	-176.6	0	109.4	A118 V259 L310	K116-A118 PolarHBondContact O-N 3.08Å; K116-V259 HydrophobicContact CD-CG1 4.48Å; K116-V259 HydrophobicContact CD-CG2 4.1Å; K116-V259 HydrophobicContact CG-CG1 4.04Å; K116-V259 HydrophobicContact CG-CG2 4.07Å; K116-L310 HydrophobicContact CD-CD2 3.88Å; K116-L310 HydrophobicContact CG-CD2 4.29Å
117	V	81.4	Confident	80.9	Confident	22 Å²	22	66.6 Å²	66.6	13%	0.133	34%	0.34	C	S	.	.			trans	-73	110.9	170.2	-172.1	0	0	0	0	108.8	F108 Y111 G115 Y119	F108-V117 PolarHBondContact O-N 3.13Å; Y111-V117 HydrophobicContact CD2-CG2 3.65Å; Y111-V117 HydrophobicContact CE2-CG2 3.96Å; G115-V117 PolarHBondContact O-N 3Å; V117-Y119 HydrophobicContact CG1-CE1 4.32Å; V117-Y119 HydrophobicContact CG1-CE2 3.61Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.5Å; V117-Y119 VanDerWaalsContact CG1-OH 3.27Å; V117-Y119 WeakPolarHBondContact CG1-OH 3.28Å
118	A	88.3	Confident	80.9	Confident	48 Å²	48	66 Å²	66	40%	0.397	33%	0.334	S	S	.	.			trans	-121.1	140.3	177.3	0	0	0	0	0	110.3	K116 V259	K116-A118 PolarHBondContact O-N 3.08Å; A118-V259 HydrophobicContact CB-CG2 3.67Å
119	Y	91.3	Very high	81.1	Confident	45 Å²	45	65.9 Å²	65.9	18%	0.176	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.3	179.4	-56.3	-91.1	0	0	0	109.6	Y106 V117 L136 E257 I258 F260	Y106-Y119 PolarHBondContact N-OH 3.24Å; Y106-Y119 PolarHBondContact O-OH 3.3Å; V117-Y119 HydrophobicContact CG1-CE1 4.32Å; V117-Y119 HydrophobicContact CG1-CE2 3.61Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.5Å; V117-Y119 VanDerWaalsContact CG1-OH 3.27Å; V117-Y119 WeakPolarHBondContact CG1-OH 3.28Å; Y119-L136 HydrophobicContact CD1-CD1 4.04Å; Y119-L136 HydrophobicContact CG-CD1 4.28Å; Y119-L136 HydrophobicContact CG-CD2 4.36Å; Y119-E257 CarbonylContact O-C 3.55Å; Y119-E257 WeakPolarHBondContact O-CA 3.46Å; Y119-I258 PolarHBondContact N-O 3.24Å; Y119-I258 PolarHBondContact O-N 3.37Å; Y119-F260 AromaticContact CD2-CD2 3.82Å; Y119-F260 HydrophobicContact CD2-CD2 3.82Å; Y119-F260 HydrophobicContact CD2-CE2 4.03Å; Y119-F260 AromaticContact CE2-CD2 3.76Å; Y119-F260 HydrophobicContact CE2-CD2 3.76Å; Y119-F260 HydrophobicContact CE2-CE2 4.24Å
120	R	91.4	Very high	81.4	Confident	170 Å²	170	65.7 Å²	65.7	64%	0.642	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	137	163.9	-70.7	-176.6	170.9	-176.1	-2	108.7	I137 L256	R120-I137 HydrophobicContact CB-CB 4.08Å; R120-I137 PolarHBondContact O-N 3Å; R120-L256 WeakPolarHBondContact CA-O 3.5Å
121	A	92.1	Very high	81.8	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.033	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157	179.9	0	0	0	0	0	112.5	V134 Q135 L136 L256 I258	A121-V134 HydrophobicContact CB-CB 4.3Å; A121-Q135 CarbonylContact C-O 3.55Å; A121-Q135 WeakPolarHBondContact CA-O 3.24Å; A121-Q135 WeakPolarHBondContact CB-O 3.41Å; A121-L136 HydrophobicContact CB-CD2 4.24Å; A121-L256 PolarHBondContact N-O 3.24Å; A121-I258 HydrophobicContact CB-CD1 3.77Å; A121-I258 HydrophobicContact CB-CG1 3.84Å; A121-I258 HydrophobicContact CB-CG2 4.06Å
122	S	90.4	Very high	82.4	Confident	40 Å²	40	58.4 Å²	58.4	28%	0.28	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.6	166.6	49.8	0	0	0	0	109.9	L124 V134 Q135	S122-L124 PolarHBondContact O-N 3.47Å; S122-V134 CarbonylContact O-C 3.6Å; S122-V134 WeakPolarHBondContact O-CA 3.32Å; S122-Q135 PolarHBondContact N-O 3.14Å; S122-Q135 PolarHBondContact O-N 2.98Å
123	L	90.2	Very high	84.1	Confident	37 Å²	37	56.7 Å²	56.7	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.5	170.1	-175	72.2	0	0	0	109.3	F126 F132 L251 L256	L123-F126 HydrophobicContact CD1-CB 4.24Å; L123-F126 HydrophobicContact CD2-CB 4.08Å; L123-F132 HydrophobicContact CD1-CB 4.34Å; L123-F132 HydrophobicContact CD1-CD2 3.92Å; L123-L251 HydrophobicContact CD1-CB 4.43Å; L123-L251 HydrophobicContact CD1-CD1 4.06Å; L123-L251 HydrophobicContact CD2-CB 3.78Å; L123-L256 HydrophobicContact CB-CD1 4.21Å
124	L	87.7	Confident	85.6	Confident	71 Å²	71	49 Å²	49	37%	0.372	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-47.2	172.7	-71	-178	0	0	0	111.6	S122 F133 Q135 V223	S122-L124 PolarHBondContact O-N 3.47Å; L124-F133 HydrophobicContact CB-CB 4.29Å; L124-F133 PolarHBondContact N-O 3.39Å; L124-Q135 HydrophobicContact CD1-CB 3.81Å; L124-Q135 HydrophobicContact CD2-CB 4.08Å; L124-Q135 HydrophobicContact CG-CB 3.81Å; L124-V223 HydrophobicContact CD1-CB 4.18Å; L124-V223 HydrophobicContact CD1-CG1 3.71Å; L124-V223 HydrophobicContact CD1-CG2 3.42Å; L124-V223 VanDerWaalsContact CD1-CG2 3.42Å
125	R	87.2	Confident	87.3	Confident	135 Å²	135	43.9 Å²	43.9	51%	0.509	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.7	-176.5	179.1	-179.8	-179.4	-168.1	-0.1	109.5	F132 F133	R125-F132 CarbonylContact O-C 3.54Å; R125-F132 WeakPolarHBondContact O-CA 3.43Å; R125-F132 WeakPolarHBondContact O-CB 3.47Å; R125-F133 HydrophobicContact CB-CB 4.15Å; R125-F133 HydrophobicContact CB-CD2 3.84Å; R125-F133 HydrophobicContact CB-CG 4.37Å; R125-F133 HydrophobicContact CG-CD2 4.06Å; R125-F133 PolarHBondContact N-O 2.76Å; R125-F133 PolarHBondContact O-N 3.49Å
126	F	89	Confident	88.5	Confident	23 Å²	23	42.3 Å²	42.3	10%	0.101	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	176.1	178.8	-94.2	0	0	0	109.7	L123 D128 P129 F132 V244 V247 R248 L251	L123-F126 HydrophobicContact CD1-CB 4.24Å; L123-F126 HydrophobicContact CD2-CB 4.08Å; F126-D128 WeakPolarHBondContact CE2-O 3.06Å; F126-P129 HydrophobicContact CZ-CG 4.33Å; F126-F132 HydrophobicContact CB-CB 4.38Å; F126-F132 HydrophobicContact CD2-CB 3.63Å; F126-F132 HydrophobicContact CD2-CD1 4.42Å; F126-F132 HydrophobicContact CD2-CG 4.08Å; F126-F132 HydrophobicContact CE2-CB 4.36Å; F126-F132 HydrophobicContact CE2-CD1 4.41Å; F126-F132 HydrophobicContact CG-CB 4.38Å; F126-V244 HydrophobicContact CE1-CG1 3.74Å; F126-V244 HydrophobicContact CZ-CG1 4.34Å; F126-V247 HydrophobicContact CD2-CG1 4.42Å; F126-V247 HydrophobicContact CE2-CB 4.13Å; F126-V247 HydrophobicContact CE2-CG1 3.41Å; F126-V247 VanDerWaalsContact CE2-CG1 3.41Å; F126-V247 HydrophobicContact CZ-CB 3.91Å; F126-V247 HydrophobicContact CZ-CG1 3.74Å; F126-R248 HydrophobicContact CD1-CB 3.91Å; F126-R248 HydrophobicContact CD1-CG 4.01Å; F126-R248 HydrophobicContact CE1-CB 3.75Å; F126-R248 HydrophobicContact CE1-CG 4.34Å; F126-R248 HydrophobicContact CZ-CB 4.41Å; F126-L251 HydrophobicContact CD2-CD1 3.57Å; F126-L251 HydrophobicContact CE2-CD1 3.8Å
127	I	85.8	Confident	89.1	Confident	22 Å²	22	44.2 Å²	44.2	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-62.4	173.4	-55.3	176.7	0	0	0	107.7	R131 F133 Y422	I127-R131 VanDerWaalsContact CB-O 3.29Å; I127-R131 WeakPolarHBondContact CB-O 3.12Å; I127-R131 HydrophobicContact CD1-CG 4.11Å; I127-R131 PolarHBondContact N-O 3.33Å; I127-R131 VanDerWaalsContact N-O 3.17Å; I127-F133 HydrophobicContact CD1-CE2 3.89Å; I127-F133 HydrophobicContact CG1-CE2 4.47Å; I127-Y422 HydrophobicContact CG2-CD1 4.25Å; I127-Y422 HydrophobicContact CG2-CE1 4.22Å
128	D	87	Confident	89.2	Confident	16 Å²	16	45.4 Å²	45.4	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.3	179.6	62.2	72.1	0	0	0	109.8	F126 G130 R131 W239	F126-D128 WeakPolarHBondContact CE2-O 3.06Å; D128-G130 PolarHBondContact O-N 3.07Å; D128-G130 WeakPolarHBondContact OD1-CA 3.49Å; D128-G130 PolarHBondContact OD1-N 2.85Å; D128-R131 PolarHBondContact N-O 3.27Å; D128-R131 VanDerWaalsContact N-O 3.12Å; D128-R131 CarbonylContact O-C 3.55Å; D128-R131 PolarHBondContact O-N 2.99Å; D128-R131 PolarHBondContact OD1-N 2.89Å; D128-W239 HydrophobicContact CB-CG 4.36Å; D128-W239 PolarHBondContact OD1-NE1 3.21Å
129	P	87.2	Confident	88.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	179.9	-21.2	32.4	0	0	0	114.5	F126 L228 W239 V247	F126-P129 HydrophobicContact CZ-CG 4.33Å; P129-L228 WeakPolarHBondContact O-CB 3.26Å; P129-L228 PolarHBondContact O-N 3.29Å; P129-W239 HydrophobicContact CB-CD2 4.01Å; P129-W239 HydrophobicContact CB-CE3 3.96Å; P129-W239 HydrophobicContact CB-CH2 3.71Å; P129-W239 HydrophobicContact CB-CZ2 3.73Å; P129-W239 HydrophobicContact CB-CZ3 3.82Å; P129-W239 HydrophobicContact CG-CD2 3.77Å; P129-W239 HydrophobicContact CG-CE3 3.71Å; P129-W239 HydrophobicContact CG-CG 4.28Å; P129-W239 HydrophobicContact CG-CH2 4.4Å; P129-W239 HydrophobicContact CG-CZ2 4.42Å; P129-W239 HydrophobicContact CG-CZ3 4.05Å; P129-V247 HydrophobicContact CB-CG2 4.11Å; P129-V247 HydrophobicContact CG-CB 4.14Å; P129-V247 HydrophobicContact CG-CG1 4.44Å; P129-V247 HydrophobicContact CG-CG2 3.75Å
130	G	88.9	Confident	87.5	Confident	29 Å²	29	54.5 Å²	54.5	30%	0.299	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.4	173.1	0	0	0	0	0	113.7	D128 R227	D128-G130 PolarHBondContact O-N 3.07Å; D128-G130 WeakPolarHBondContact OD1-CA 3.49Å; D128-G130 PolarHBondContact OD1-N 2.85Å; G130-R227 WeakPolarHBondContact O-CB 3.33Å
131	R	89.1	Confident	86.6	Confident	68 Å²	68	48.8 Å²	48.8	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	106.3	-178	-174	175.6	54.8	173.8	-5	112.4	I127 D128 F133 Q225	I127-R131 VanDerWaalsContact CB-O 3.29Å; I127-R131 WeakPolarHBondContact CB-O 3.12Å; I127-R131 HydrophobicContact CD1-CG 4.11Å; I127-R131 PolarHBondContact N-O 3.33Å; I127-R131 VanDerWaalsContact N-O 3.17Å; D128-R131 PolarHBondContact N-O 3.27Å; D128-R131 VanDerWaalsContact N-O 3.12Å; D128-R131 CarbonylContact O-C 3.55Å; D128-R131 PolarHBondContact O-N 2.99Å; D128-R131 PolarHBondContact OD1-N 2.89Å; R131-F133 HydrophobicContact CG-CE2 4.44Å; R131-Q225 HydrophobicContact CG-CG 4.27Å
132	F	90	Very high	86	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	166.1	170.6	58.8	-81	0	0	0	110.9	L123 R125 F126 V134 Q225 V226 L228 L251 V272	L123-F132 HydrophobicContact CD1-CB 4.34Å; L123-F132 HydrophobicContact CD1-CD2 3.92Å; R125-F132 CarbonylContact O-C 3.54Å; R125-F132 WeakPolarHBondContact O-CA 3.43Å; R125-F132 WeakPolarHBondContact O-CB 3.47Å; F126-F132 HydrophobicContact CB-CB 4.38Å; F126-F132 HydrophobicContact CD2-CB 3.63Å; F126-F132 HydrophobicContact CD2-CD1 4.42Å; F126-F132 HydrophobicContact CD2-CG 4.08Å; F126-F132 HydrophobicContact CE2-CB 4.36Å; F126-F132 HydrophobicContact CE2-CD1 4.41Å; F126-F132 HydrophobicContact CG-CB 4.38Å; F132-V134 HydrophobicContact CD2-CG1 3.85Å; F132-V134 HydrophobicContact CE2-CG1 3.86Å; F132-Q225 CarbonylContact O-C 3.58Å; F132-V226 HydrophobicContact CD1-CG2 4.33Å; F132-V226 WeakPolarHBondContact CD1-O 3.48Å; F132-V226 HydrophobicContact CD2-CG2 3.46Å; F132-V226 VanDerWaalsContact CD2-CG2 3.46Å; F132-V226 HydrophobicContact CE1-CG2 4.13Å; F132-V226 HydrophobicContact CE2-CG2 3.24Å; F132-V226 HydrophobicContact CG-CG2 4.02Å; F132-V226 HydrophobicContact CZ-CB 4.49Å; F132-V226 HydrophobicContact CZ-CG2 3.6Å; F132-V226 PolarHBondContact N-O 2.77Å; F132-V226 WeakPolarHBondContact O-CG2 3.29Å; F132-V226 PolarHBondContact O-N 3.11Å; F132-L228 HydrophobicContact CE1-CB 4.41Å; F132-L251 HydrophobicContact CD2-CD1 4.16Å; F132-L251 HydrophobicContact CE2-CD1 4.24Å; F132-L251 HydrophobicContact CG-CD1 4.48Å; F132-V272 HydrophobicContact CE2-CG2 4.11Å; F132-V272 HydrophobicContact CZ-CG2 3.64Å
133	F	91.2	Very high	85.7	Confident	7 Å²	7	53.2 Å²	53.2	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.5	-172	-60.1	-90.2	0	0	0	109.6	L124 R125 I127 R131 D199 F224 Q225	L124-F133 HydrophobicContact CB-CB 4.29Å; L124-F133 PolarHBondContact N-O 3.39Å; R125-F133 HydrophobicContact CB-CB 4.15Å; R125-F133 HydrophobicContact CB-CD2 3.84Å; R125-F133 HydrophobicContact CB-CG 4.37Å; R125-F133 HydrophobicContact CG-CD2 4.06Å; R125-F133 PolarHBondContact N-O 2.76Å; R125-F133 PolarHBondContact O-N 3.49Å; I127-F133 HydrophobicContact CD1-CE2 3.89Å; I127-F133 HydrophobicContact CG1-CE2 4.47Å; R131-F133 HydrophobicContact CG-CE2 4.44Å; F133-D199 HydrophobicContact CD1-CB 3.78Å; F133-D199 VanDerWaalsContact CD1-OD2 3.29Å; F133-D199 WeakPolarHBondContact CD1-OD2 3.31Å; F133-D199 HydrophobicContact CE1-CB 4.1Å; F133-D199 WeakPolarHBondContact CE1-OD2 3.32Å; F133-D199 VanDerWaalsContact CZ-OD2 3.27Å; F133-D199 WeakPolarHBondContact CZ-OD2 3.48Å; F133-F224 WeakPolarHBondContact CA-O 3Å; F133-Q225 HydrophobicContact CD1-CB 3.94Å; F133-Q225 HydrophobicContact CD1-CG 4.22Å; F133-Q225 HydrophobicContact CE1-CB 3.55Å; F133-Q225 HydrophobicContact CE1-CG 3.57Å; F133-Q225 HydrophobicContact CZ-CB 4.35Å; F133-Q225 HydrophobicContact CZ-CG 3.87Å
134	V	92.4	Very high	85.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.9	-179.9	-63.8	0	0	0	0	109.6	A121 S122 F132 V223 F224 V226 I258	A121-V134 HydrophobicContact CB-CB 4.3Å; S122-V134 CarbonylContact O-C 3.6Å; S122-V134 WeakPolarHBondContact O-CA 3.32Å; F132-V134 HydrophobicContact CD2-CG1 3.85Å; F132-V134 HydrophobicContact CE2-CG1 3.86Å; V134-V223 CarbonylContact O-C 3.6Å; V134-V223 VanDerWaalsContact O-CA 3.29Å; V134-V223 WeakPolarHBondContact O-CA 3.24Å; V134-F224 HydrophobicContact CG2-CB 4.11Å; V134-F224 PolarHBondContact N-O 3.35Å; V134-F224 PolarHBondContact O-N 2.88Å; V134-V226 HydrophobicContact CB-CG2 4.49Å; V134-V226 HydrophobicContact CG1-CG2 3.88Å; V134-V226 HydrophobicContact CG2-CG1 3.93Å; V134-V226 HydrophobicContact CG2-CG2 3.86Å; V134-I258 HydrophobicContact CB-CD1 4.31Å; V134-I258 HydrophobicContact CG2-CD1 3.61Å
135	Q	91.7	Very high	85.4	Confident	72 Å²	72	54 Å²	54	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124	169.4	-172.6	178.6	23.3	0	0	108.9	A121 S122 L124 I137 K222 V223	A121-Q135 CarbonylContact C-O 3.55Å; A121-Q135 WeakPolarHBondContact CA-O 3.24Å; A121-Q135 WeakPolarHBondContact CB-O 3.41Å; S122-Q135 PolarHBondContact N-O 3.14Å; S122-Q135 PolarHBondContact O-N 2.98Å; L124-Q135 HydrophobicContact CD1-CB 3.81Å; L124-Q135 HydrophobicContact CD2-CB 4.08Å; L124-Q135 HydrophobicContact CG-CB 3.81Å; Q135-I137 PolarHBondContact O-N 3.47Å; Q135-K222 CarbonylContact C-O 3.48Å; Q135-K222 WeakPolarHBondContact CA-O 3.19Å; Q135-K222 HydrophobicContact CG-CB 4.3Å; Q135-V223 HydrophobicContact CB-CG2 4.39Å; Q135-V223 HydrophobicContact CG-CG2 4.29Å
136	L	91.6	Very high	85.3	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.5	173.5	-54.9	-170.9	0	0	0	109.9	A105 Y119 A121 K222 F224 I258 F260	A105-L136 HydrophobicContact CB-CD1 4.4Å; Y119-L136 HydrophobicContact CD1-CD1 4.04Å; Y119-L136 HydrophobicContact CG-CD1 4.28Å; Y119-L136 HydrophobicContact CG-CD2 4.36Å; A121-L136 HydrophobicContact CB-CD2 4.24Å; L136-K222 HydrophobicContact CB-CB 4.4Å; L136-K222 PolarHBondContact N-O 3.38Å; L136-K222 WeakPolarHBondContact O-CD 3.42Å; L136-F224 HydrophobicContact CD1-CD2 4.04Å; L136-F224 HydrophobicContact CD1-CE2 3.47Å; L136-F224 VanDerWaalsContact CD1-CE2 3.47Å; L136-F224 HydrophobicContact CD1-CZ 4.15Å; L136-F224 HydrophobicContact CD2-CD2 4.46Å; L136-F224 HydrophobicContact CG-CD2 3.89Å; L136-F224 HydrophobicContact CG-CE2 3.77Å; L136-I258 HydrophobicContact CD2-CD1 3.45Å; L136-I258 VanDerWaalsContact CD2-CD1 3.45Å; L136-I258 HydrophobicContact CD2-CG1 4.1Å; L136-F260 HydrophobicContact CD1-CE2 4.4Å; L136-F260 HydrophobicContact CD2-CE2 4.17Å; L136-F260 HydrophobicContact CD2-CZ 4.48Å
137	I	88	Confident	85.1	Confident	103 Å²	103	47.9 Å²	47.9	53%	0.528	27%	0.267	S	S	.	.			trans	-91.5	120.6	176.3	-57.4	172.3	0	0	0	107.6	R120 Q135	R120-I137 HydrophobicContact CB-CB 4.08Å; R120-I137 PolarHBondContact O-N 3Å; Q135-I137 PolarHBondContact O-N 3.47Å
138	G	83.1	Confident	85.1	Confident	47 Å²	47	53 Å²	53	49%	0.485	29%	0.289	S	S	.	.			trans	-169.8	-176.7	177.5	0	0	0	0	0	110.3	T140 K222	G138-T140 PolarHBondContact O-N 3.45Å; G138-K222 PolarHBondContact O-NZ 2.93Å; G138-K222 VanDerWaalsContact O-NZ 3.16Å
139	E	74.7	Confident	84.8	Confident	185 Å²	185	55.4 Å²	55.4	86%	0.864	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-52.5	127.1	-178.5	-64.3	-176	171.1	0	0	111.8	D141 K222	E139-D141 PolarHBondContact O-N 3.13Å; E139-K222 PolarHBondContact O-NZ 3.36Å
140	T	69.1	Low	84.4	Confident	99 Å²	99	59.9 Å²	59.9	61%	0.607	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.2	176	-48.5	0	0	0	0	108.8	G138 G142	G138-T140 PolarHBondContact O-N 3.45Å; T140-G142 PolarHBondContact O-N 3.25Å
141	D	71.7	Confident	84.1	Confident	50 Å²	50	61.4 Å²	61.4	27%	0.267	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65.2	119	173.5	-171.3	-23.7	0	0	0	108.5	E139 K143 M144 S219	E139-D141 PolarHBondContact O-N 3.13Å; D141-K143 PolarHBondContact O-N 3.18Å; D141-K143 WeakPolarHBondContact OD1-CB 3.4Å; D141-K143 WeakPolarHBondContact OD1-CG 3.25Å; D141-K143 PolarHBondContact OD1-N 2.85Å; D141-M144 HydrophobicContact CB-CG 4.35Å; D141-M144 WeakPolarHBondContact O-CB 3.21Å; D141-M144 PolarHBondContact O-N 2.9Å; D141-S219 WeakPolarHBondContact OD2-CA 3.43Å; D141-S219 WeakPolarHBondContact OD2-CB 3.49Å; D141-S219 PolarHBondContact OD2-OG 3.26Å
142	G	80.3	Confident	84	Confident	52 Å²	52	58.6 Å²	58.6	54%	0.536	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-55.9	-21.9	179.3	0	0	0	0	0	113.2	T140 M144 E145	T140-G142 PolarHBondContact O-N 3.25Å; G142-M144 VanDerWaalsContact C-N 3.3Å; G142-M144 PolarHBondContact O-N 2.81Å; G142-E145 WeakPolarHBondContact O-CB 3.33Å; G142-E145 PolarHBondContact O-N 3.18Å
143	K	83.4	Confident	84	Confident	86 Å²	86	60.5 Å²	60.5	37%	0.374	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-66	-29.9	173.2	-64.6	172	177.2	176.1	0	113.1	D141 E145 L146 A215 S218 S219	D141-K143 PolarHBondContact O-N 3.18Å; D141-K143 WeakPolarHBondContact OD1-CB 3.4Å; D141-K143 WeakPolarHBondContact OD1-CG 3.25Å; D141-K143 PolarHBondContact OD1-N 2.85Å; K143-E145 PolarHBondContact O-N 3.31Å; K143-L146 WeakPolarHBondContact O-CB 3.3Å; K143-L146 WeakPolarHBondContact O-CG 3.48Å; K143-L146 PolarHBondContact O-N 3.05Å; K143-L146 VanDerWaalsContact O-N 3.16Å; K143-A215 WeakPolarHBondContact CD-O 3.19Å; K143-S218 PolarHBondContact NZ-OG 2.67Å; K143-S219 WeakPolarHBondContact CB-OG 3.12Å
144	M	85.5	Confident	84	Confident	37 Å²	37	60.7 Å²	60.7	18%	0.182	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-69.5	-24.8	176.4	-68	-59.2	-68.8	0	0	112	D141 G142 L146 L147 R179 I216	D141-M144 HydrophobicContact CB-CG 4.35Å; D141-M144 WeakPolarHBondContact O-CB 3.21Å; D141-M144 PolarHBondContact O-N 2.9Å; G142-M144 VanDerWaalsContact C-N 3.3Å; G142-M144 PolarHBondContact O-N 2.81Å; M144-L146 PolarHBondContact O-N 2.88Å; M144-L147 HydrophobicContact CE-CD1 3.57Å; M144-L147 WeakPolarHBondContact O-CB 3.43Å; M144-L147 PolarHBondContact O-N 2.87Å; M144-L147 HydrophobicContact SD-CD1 4.27Å; M144-R179 HydrophobicContact CE-CG 4.13Å; M144-I216 HydrophobicContact SD-CG2 4.3Å
145	E	85.6	Confident	84	Confident	87 Å²	87	60.8 Å²	60.8	41%	0.407	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-66.2	-20.4	173.3	-63.2	-66.5	129	0	0	112.3	G142 K143 L147 K148	G142-E145 WeakPolarHBondContact O-CB 3.33Å; G142-E145 PolarHBondContact O-N 3.18Å; K143-E145 PolarHBondContact O-N 3.31Å; E145-L147 PolarHBondContact O-N 2.81Å; E145-K148 WeakPolarHBondContact O-CB 3.25Å; E145-K148 PolarHBondContact O-N 3.11Å; E145-K148 IonicContact OE1-NZ 2.96Å; E145-K148 PolarHBondContact OE1-NZ 2.78Å; E145-K148 WeakPolarHBondContact OE2-CD 3.33Å; E145-K148 VanDerWaalsContact OE2-CE 3.31Å; E145-K148 WeakPolarHBondContact OE2-CE 3.09Å; E145-K148 IonicContact OE2-NZ 2.78Å; E145-K148 PolarHBondContact OE2-NZ 3.19Å
146	L	85.4	Confident	84.1	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.094	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.1	173.8	-57.6	178.3	0	0	0	112.5	F52 V53 K143 M144 K148 K149 I216	F52-L146 HydrophobicContact CD1-CD2 3.94Å; F52-L146 HydrophobicContact CE1-CD2 3.32Å; F52-L146 HydrophobicContact CZ-CD2 4.22Å; V53-L146 HydrophobicContact CG2-CB 4.46Å; K143-L146 WeakPolarHBondContact O-CB 3.3Å; K143-L146 WeakPolarHBondContact O-CG 3.48Å; K143-L146 PolarHBondContact O-N 3.05Å; K143-L146 VanDerWaalsContact O-N 3.16Å; M144-L146 PolarHBondContact O-N 2.88Å; L146-K148 PolarHBondContact O-N 2.92Å; L146-K149 HydrophobicContact CD2-CD 4.42Å; L146-K149 WeakPolarHBondContact O-CB 3.23Å; L146-K149 PolarHBondContact O-N 3.25Å; L146-K149 VanDerWaalsContact O-N 3.09Å; L146-I216 HydrophobicContact CB-CD1 4.38Å; L146-I216 HydrophobicContact CB-CG1 4.45Å
147	L	86.2	Confident	84.1	Confident	12 Å²	12	59 Å²	59	6%	0.063	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.2	176	-67.9	175.5	0	0	0	113.3	M144 E145 K149 W154 L168 R179 I216	M144-L147 HydrophobicContact CE-CD1 3.57Å; M144-L147 WeakPolarHBondContact O-CB 3.43Å; M144-L147 PolarHBondContact O-N 2.87Å; M144-L147 HydrophobicContact SD-CD1 4.27Å; E145-L147 PolarHBondContact O-N 2.81Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-W154 HydrophobicContact CD2-CH2 3.96Å; L147-W154 HydrophobicContact CD2-CZ2 4.43Å; L147-W154 HydrophobicContact CD2-CZ3 4.5Å; L147-L168 HydrophobicContact CD2-CD1 3.81Å; L147-L168 HydrophobicContact CD2-CD2 3.58Å; L147-L168 HydrophobicContact CD2-CG 4.34Å; L147-R179 HydrophobicContact CD1-CG 4.29Å; L147-I216 HydrophobicContact CD1-CG2 4.17Å; L147-I216 HydrophobicContact CD2-CD1 3.68Å; L147-I216 HydrophobicContact CD2-CG1 4.45Å; L147-I216 HydrophobicContact CD2-CG2 4.01Å; L147-I216 HydrophobicContact CG-CD1 4.23Å; L147-I216 HydrophobicContact CG-CG2 4.17Å
148	K	84	Confident	84	Confident	129 Å²	129	56.3 Å²	56.3	56%	0.561	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-84.3	-8.9	176.2	-57.1	180	-171.9	165.4	0	112.8	E145 L146 H150	E145-K148 WeakPolarHBondContact O-CB 3.25Å; E145-K148 PolarHBondContact O-N 3.11Å; E145-K148 IonicContact OE1-NZ 2.96Å; E145-K148 PolarHBondContact OE1-NZ 2.78Å; E145-K148 WeakPolarHBondContact OE2-CD 3.33Å; E145-K148 VanDerWaalsContact OE2-CE 3.31Å; E145-K148 WeakPolarHBondContact OE2-CE 3.09Å; E145-K148 IonicContact OE2-NZ 2.78Å; E145-K148 PolarHBondContact OE2-NZ 3.19Å; L146-K148 PolarHBondContact O-N 2.92Å; K148-H150 VanDerWaalsContact C-N 3.32Å; K148-H150 PolarHBondContact O-CD2 3.2Å; K148-H150 PolarHBondContact O-N 2.55Å
149	K	81.3	Confident	84.1	Confident	67 Å²	67	65 Å²	65	29%	0.291	33%	0.333	S	S	.	.			trans	-77.2	79.2	177.6	-66.2	-166.1	174.1	-165.7	0	110.9	V53 L146 L147 S151 A152	V53-K149 HydrophobicContact CG2-CD 4.48Å; L146-K149 HydrophobicContact CD2-CD 4.42Å; L146-K149 WeakPolarHBondContact O-CB 3.23Å; L146-K149 PolarHBondContact O-N 3.25Å; L146-K149 VanDerWaalsContact O-N 3.09Å; L147-K149 VanDerWaalsContact C-N 3.35Å; K149-S151 PolarHBondContact O-N 3.38Å; K149-A152 PolarHBondContact O-N 2.71Å
150	H	80	Confident	84.7	Confident	94 Å²	94	59.7 Å²	59.7	44%	0.435	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.8	175.4	-69.2	-80.7	0	0	0	114.1	K148 A152 R175 Y177	K148-H150 VanDerWaalsContact C-N 3.32Å; K148-H150 PolarHBondContact O-CD2 3.2Å; K148-H150 PolarHBondContact O-N 2.55Å; H150-A152 VanDerWaalsContact C-N 3.35Å; H150-R175 PolarHBondContact CE1-O 2.95Å; H150-R175 PolarHBondContact NE2-O 3Å; H150-R175 VanDerWaalsContact NE2-O 3.11Å; H150-Y177 AromaticContact CE1-CE2 3.87Å; H150-Y177 AromaticContact ND1-CE2 3.7Å
151	S	81.9	Confident	85.5	Confident	60 Å²	60	55.7 Å²	55.7	42%	0.42	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.3	176.3	32.3	0	0	0	0	113.4	T46 E49 K149	T46-S151 WeakPolarHBondContact CA-O 2.98Å; T46-S151 WeakPolarHBondContact CB-O 3.42Å; T46-S151 VanDerWaalsContact CG2-O 3.31Å; T46-S151 WeakPolarHBondContact CG2-O 3.32Å; T46-S151 PolarHBondContact OG1-O 3.32Å; E49-S151 WeakPolarHBondContact OE1-CB 2.94Å; E49-S151 PolarHBondContact OE1-OG 3.23Å; E49-S151 VanDerWaalsContact OE1-OG 3.04Å; E49-S151 VanDerWaalsContact OE2-C 3.31Å; E49-S151 WeakPolarHBondContact OE2-CB 2.99Å; E49-S151 PolarHBondContact OE2-OG 3.29Å; K149-S151 PolarHBondContact O-N 3.38Å
152	A	86.8	Confident	86.3	Confident	9 Å²	9	60.6 Å²	60.6	7%	0.074	30%	0.299	C	S	.	.	S	Bend	trans	-80	157.1	171.3	0	0	0	0	0	112.2	E49 V53 K149 H150	E49-A152 HydrophobicContact CB-CB 4.14Å; E49-A152 PolarHBondContact OE2-N 3.37Å; V53-A152 HydrophobicContact CG2-CB 4.16Å; K149-A152 PolarHBondContact O-N 2.71Å; H150-A152 VanDerWaalsContact C-N 3.35Å
153	F	90.3	Very high	86.6	Confident	40 Å²	40	63.5 Å²	63.5	18%	0.175	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.1	116.3	173.8	-177.4	-95.9	0	0	0	110.7	L35 F38 A39 L42 T46 T50 F155	L35-F153 HydrophobicContact CD2-CB 4.18Å; L35-F153 HydrophobicContact CD2-CD1 3.56Å; L35-F153 HydrophobicContact CD2-CE1 4.29Å; L35-F153 HydrophobicContact CD2-CG 4.1Å; F38-F153 HydrophobicContact CB-CE1 3.58Å; F38-F153 HydrophobicContact CB-CZ 3.58Å; F38-F153 HydrophobicContact CG-CE1 4.43Å; A39-F153 HydrophobicContact CB-CE2 4.1Å; A39-F153 HydrophobicContact CB-CZ 4.19Å; L42-F153 HydrophobicContact CD1-CB 4.14Å; L42-F153 HydrophobicContact CD1-CD2 4.22Å; L42-F153 HydrophobicContact CD1-CG 4.06Å; L42-F153 HydrophobicContact CD2-CB 4.48Å; L42-F153 HydrophobicContact CD2-CD2 3.78Å; L42-F153 HydrophobicContact CD2-CE2 4.41Å; L42-F153 HydrophobicContact CD2-CG 4.35Å; T46-F153 HydrophobicContact CG2-CB 3.9Å; T50-F153 HydrophobicContact CG2-CB 4.39Å; T50-F153 WeakPolarHBondContact OG1-CB 2.92Å; T50-F153 PolarHBondContact OG1-N 2.87Å; F153-F155 HydrophobicContact CD1-CD1 4.13Å; F153-F155 HydrophobicContact CD1-CD2 4.5Å; F153-F155 AromaticContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE2 4.37Å; F153-F155 HydrophobicContact CD1-CG 4.39Å; F153-F155 HydrophobicContact CD1-CZ 4.13Å; F153-F155 AromaticContact CE1-CD1 3.89Å; F153-F155 HydrophobicContact CE1-CD1 3.89Å; F153-F155 HydrophobicContact CE1-CE1 4.07Å; F153-F155 HydrophobicContact CE1-CG 4.31Å; F153-F155 WeakPolarHBondContact O-CE2 3.33Å
154	W	91.7	Very high	86.6	Confident	11 Å²	11	64.2 Å²	64.2	4%	0.042	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-92	135	174	-63.4	99	0	0	0	111.1	V53 L147 P156 L168 Y177 Y210 P213 I216	V53-W154 HydrophobicContact CG1-CH2 3.79Å; V53-W154 HydrophobicContact CG1-CZ3 3.98Å; L147-W154 HydrophobicContact CD2-CH2 3.96Å; L147-W154 HydrophobicContact CD2-CZ2 4.43Å; L147-W154 HydrophobicContact CD2-CZ3 4.5Å; W154-P156 WeakPolarHBondContact O-CD 3.19Å; W154-L168 HydrophobicContact CD2-CD1 4.33Å; W154-L168 HydrophobicContact CE3-CD1 3.41Å; W154-L168 VanDerWaalsContact CE3-CD1 3.41Å; W154-L168 HydrophobicContact CH2-CD1 4.01Å; W154-L168 HydrophobicContact CZ3-CD1 3.23Å; W154-Y177 HydrophobicContact CB-CE1 4.24Å; W154-Y177 AromaticContact CD1-CE1 3.89Å; W154-Y177 AromaticContact CD1-CE2 3.49Å; W154-Y177 VanDerWaalsContact CD1-CE2 3.49Å; W154-Y177 AromaticContact CD1-CZ 3.26Å; W154-Y177 VanDerWaalsContact CD1-OH 3.23Å; W154-Y177 HydrophobicContact CD2-CE1 4.46Å; W154-Y177 AromaticContact CG-CE1 3.91Å; W154-Y177 HydrophobicContact CG-CE1 3.91Å; W154-Y177 HydrophobicContact CG-CE2 4.25Å; W154-Y177 AromaticContact CG-CZ 3.76Å; W154-Y177 AromaticContact NE1-CD2 3.87Å; W154-Y177 AromaticContact NE1-CE2 3.39Å; W154-Y177 AromaticContact NE1-CZ 3.69Å; W154-Y210 HydrophobicContact CB-CD1 3.46Å; W154-Y210 VanDerWaalsContact CB-CD1 3.46Å; W154-Y210 HydrophobicContact CB-CE1 3.87Å; W154-Y210 HydrophobicContact CB-CG 3.99Å; W154-Y210 WeakPolarHBondContact O-CD1 3.29Å; W154-P213 HydrophobicContact CZ3-CG 3.99Å; W154-I216 HydrophobicContact CH2-CD1 3.47Å; W154-I216 VanDerWaalsContact CH2-CD1 3.47Å; W154-I216 HydrophobicContact CZ3-CD1 3.74Å
155	F	92.5	Very high	86.7	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.7	116.8	-171.3	-61	-95.9	0	0	0	111.7	L34 L35 F38 T50 L54 F93 F153 A157 Y210 L211	L34-F155 HydrophobicContact CD1-CE1 4.41Å; L34-F155 HydrophobicContact CD2-CE1 3.87Å; L34-F155 HydrophobicContact CD2-CZ 3.95Å; L34-F155 HydrophobicContact CG-CD1 4.34Å; L34-F155 HydrophobicContact CG-CE1 3.69Å; L34-F155 HydrophobicContact CG-CZ 4.24Å; L35-F155 HydrophobicContact CD2-CE1 3.69Å; L35-F155 HydrophobicContact CD2-CZ 3.52Å; L35-F155 HydrophobicContact CG-CE1 4.4Å; L35-F155 HydrophobicContact CG-CZ 4.3Å; F38-F155 AromaticContact CD2-CD1 3.57Å; F38-F155 HydrophobicContact CD2-CD1 3.57Å; F38-F155 HydrophobicContact CD2-CE1 4.17Å; F38-F155 AromaticContact CE2-CD1 3.85Å; F38-F155 HydrophobicContact CE2-CD1 3.85Å; F38-F155 HydrophobicContact CG-CD1 4.13Å; T50-F155 HydrophobicContact CG2-CE2 3.65Å; T50-F155 HydrophobicContact CG2-CZ 3.78Å; L54-F155 HydrophobicContact CD1-CE2 3.92Å; L54-F155 HydrophobicContact CD1-CZ 3.94Å; L54-F155 HydrophobicContact CD2-CE2 4.1Å; L54-F155 HydrophobicContact CG-CE2 4.35Å; F93-F155 HydrophobicContact CE1-CB 4.29Å; F93-F155 AromaticContact CE1-CD2 3.62Å; F93-F155 HydrophobicContact CE1-CD2 3.62Å; F93-F155 HydrophobicContact CE1-CE2 4.21Å; F93-F155 HydrophobicContact CE1-CG 4.07Å; F93-F155 HydrophobicContact CE2-CG 4.45Å; F93-F155 HydrophobicContact CZ-CB 4.08Å; F93-F155 HydrophobicContact CZ-CD1 4.1Å; F93-F155 AromaticContact CZ-CD2 3.32Å; F93-F155 HydrophobicContact CZ-CD2 3.32Å; F93-F155 HydrophobicContact CZ-CE1 4.41Å; F93-F155 AromaticContact CZ-CE2 3.68Å; F93-F155 HydrophobicContact CZ-CE2 3.68Å; F93-F155 AromaticContact CZ-CG 3.55Å; F93-F155 HydrophobicContact CZ-CG 3.55Å; F93-F155 HydrophobicContact CZ-CZ 4.2Å; F153-F155 HydrophobicContact CD1-CD1 4.13Å; F153-F155 HydrophobicContact CD1-CD2 4.5Å; F153-F155 AromaticContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE2 4.37Å; F153-F155 HydrophobicContact CD1-CG 4.39Å; F153-F155 HydrophobicContact CD1-CZ 4.13Å; F153-F155 AromaticContact CE1-CD1 3.89Å; F153-F155 HydrophobicContact CE1-CD1 3.89Å; F153-F155 HydrophobicContact CE1-CE1 4.07Å; F153-F155 HydrophobicContact CE1-CG 4.31Å; F153-F155 WeakPolarHBondContact O-CE2 3.33Å; F155-A157 PolarHBondContact O-N 2.66Å; F155-Y210 CarbonylContact O-C 3.21Å; F155-Y210 WeakPolarHBondContact O-CA 3.44Å; F155-Y210 WeakPolarHBondContact O-CB 3.34Å; F155-L211 HydrophobicContact CB-CB 4.28Å; F155-L211 HydrophobicContact CB-CD1 4.06Å; F155-L211 HydrophobicContact CB-CG 4.39Å; F155-L211 PolarHBondContact O-N 3.27Å
156	P	92.7	Very high	87	Confident	52 Å²	52	59.3 Å²	59.3	34%	0.338	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-57.6	131.8	-179.9	-26.3	34.5	0	0	0	113.1	F38 W154 Y210	F38-P156 HydrophobicContact CD1-CG 4.46Å; W154-P156 WeakPolarHBondContact O-CD 3.19Å; P156-Y210 HydrophobicContact CG-CE1 4.41Å
157	A	91.5	Very high	87.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.276	C	S	.	.			trans	-97.1	-9.8	-177.6	0	0	0	0	0	114.3	F155 R159 Y160 L161 A209 Y210 L211	F155-A157 PolarHBondContact O-N 2.66Å; A157-R159 PolarHBondContact O-N 3.23Å; A157-Y160 CarbonylContact O-C 3.58Å; A157-Y160 WeakPolarHBondContact O-CA 3.36Å; A157-Y160 PolarHBondContact O-N 2.88Å; A157-L161 HydrophobicContact CB-CD1 4.21Å; A157-L161 HydrophobicContact CB-CD2 4.02Å; A157-L161 HydrophobicContact CB-CG 3.77Å; A157-L161 WeakPolarHBondContact O-CG 3.37Å; A157-L161 PolarHBondContact O-N 3.49Å; A157-A209 HydrophobicContact CB-CB 4.49Å; A157-A209 PolarHBondContact N-O 2.91Å; A157-Y210 VanDerWaalsContact CB-C 3.48Å; A157-L211 HydrophobicContact CB-CD2 3.78Å; A157-L211 HydrophobicContact CB-CG 4.07Å
158	A	87	Confident	87.8	Confident	46 Å²	46	57.9 Å²	57.9	38%	0.38	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.3	-167.1	0	0	0	0	0	115.5	V206	A158-V206 HydrophobicContact CB-CG1 3.91Å
159	R	85.6	Confident	88.3	Confident	230 Å²	230	52.3 Å²	52.3	87%	0.868	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.9	178.6	-66.6	-175.3	176.5	-177.3	-1	114.6	A157	A157-R159 PolarHBondContact O-N 3.23Å
160	Y	86.3	Confident	89	Confident	72 Å²	72	51.3 Å²	51.3	28%	0.282	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-16.5	-171.3	-56.5	-75.9	0	0	0	112.8	F38 P88 L90 A157 M165	F38-Y160 AromaticContact CE1-CE2 3.86Å; F38-Y160 HydrophobicContact CE1-CE2 3.86Å; F38-Y160 AromaticContact CZ-CE2 3.84Å; F38-Y160 HydrophobicContact CZ-CE2 3.84Å; P88-Y160 HydrophobicContact CG-CE1 4.19Å; P88-Y160 WeakPolarHBondContact CG-OH 3.46Å; L90-Y160 HydrophobicContact CD1-CD1 4.17Å; A157-Y160 CarbonylContact O-C 3.58Å; A157-Y160 WeakPolarHBondContact O-CA 3.36Å; A157-Y160 PolarHBondContact O-N 2.88Å; Y160-M165 VanDerWaalsContact O-SD 3.34Å
161	L	86.4	Confident	89.5	Confident	15 Å²	15	49 Å²	49	8%	0.079	24%	0.235	C	C	.	.			trans	-61.4	139.3	179.8	-77.4	171.8	0	0	0	112.3	A157 M165 C167 L182 F185 F193 V206 A209	A157-L161 HydrophobicContact CB-CD1 4.21Å; A157-L161 HydrophobicContact CB-CD2 4.02Å; A157-L161 HydrophobicContact CB-CG 3.77Å; A157-L161 WeakPolarHBondContact O-CG 3.37Å; A157-L161 PolarHBondContact O-N 3.49Å; L161-M165 HydrophobicContact CD2-SD 4.31Å; L161-C167 HydrophobicContact CD2-CB 3.81Å; L161-L182 HydrophobicContact CB-CD2 4.06Å; L161-F185 HydrophobicContact CB-CZ 4.3Å; L161-F193 HydrophobicContact CD1-CE1 4.49Å; L161-V206 HydrophobicContact CD1-CG1 3.84Å; L161-A209 HydrophobicContact CD1-CB 3.59Å
162	K	88	Confident	89.9	Confident	153 Å²	153	51.3 Å²	51.3	67%	0.665	24%	0.239	S	C	*	.			trans	-129	158.4	169.1	-61	178.3	-174.9	175	0	108.1	E164 M165	K162-E164 PolarHBondContact O-N 2.68Å; K162-M165 HydrophobicContact CB-CB 4.39Å; K162-M165 WeakPolarHBondContact O-CB 3.42Å; K162-M165 PolarHBondContact O-N 2.87Å; K162-M165 VanDerWaalsContact O-N 3.09Å
163	E	85.8	Confident	89.9	Confident	114 Å²	114	59.8 Å²	59.8	53%	0.533	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	142.3	168.2	-63.8	-176.5	165.2	0	0	109.2	M165 F185	E163-M165 PolarHBondContact O-N 3.03Å; E163-M165 VanDerWaalsContact O-N 3.14Å; E163-F185 HydrophobicContact CG-CD2 4.25Å; E163-F185 HydrophobicContact CG-CE2 4.38Å
164	E	84	Confident	89.8	Confident	100 Å²	100	63.3 Å²	63.3	47%	0.467	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	-3.7	-176.1	-50.9	-72	90.7	0	0	116.2	K162 K181 L182	K162-E164 PolarHBondContact O-N 2.68Å; E164-K181 VanDerWaalsContact CA-CE 3.43Å; E164-K181 WeakPolarHBondContact OE1-CE 3.26Å; E164-K181 IonicContact OE1-NZ 4Å; E164-K181 PolarHBondContact OE1-NZ 3.45Å; E164-K181 WeakPolarHBondContact OE2-CE 3.07Å; E164-K181 IonicContact OE2-NZ 3.54Å; E164-K181 PolarHBondContact OE2-NZ 2.81Å; E164-L182 WeakPolarHBondContact CA-O 3.48Å; E164-L182 PolarHBondContact N-O 3.41Å
165	M	88.4	Confident	89.6	Confident	18 Å²	18	71.4 Å²	71.4	9%	0.089	32%	0.323	C	S	.	.			trans	-71.6	135.1	179.4	-170	179.8	174.5	0	0	111.9	I94 Y160 L161 K162 E163 K181 L182 L211	I94-M165 WeakPolarHBondContact O-CE 3.46Å; Y160-M165 VanDerWaalsContact O-SD 3.34Å; L161-M165 HydrophobicContact CD2-SD 4.31Å; K162-M165 HydrophobicContact CB-CB 4.39Å; K162-M165 WeakPolarHBondContact O-CB 3.42Å; K162-M165 PolarHBondContact O-N 2.87Å; K162-M165 VanDerWaalsContact O-N 3.09Å; E163-M165 PolarHBondContact O-N 3.03Å; E163-M165 VanDerWaalsContact O-N 3.14Å; M165-K181 WeakPolarHBondContact O-CA 3.49Å; M165-L182 PolarHBondContact O-N 2.77Å; M165-L182 VanDerWaalsContact O-N 3.14Å; M165-L211 HydrophobicContact CE-CD2 4.04Å
166	A	90.9	Very high	89.5	Confident	4 Å²	4	74.4 Å²	74.4	3%	0.033	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.7	172	0	0	0	0	0	111.4	T97 A180 I212 F217	T97-A166 HydrophobicContact CG2-CB 4.41Å; A166-A180 CarbonylContact C-O 3.59Å; A166-A180 WeakPolarHBondContact CA-O 3.21Å; A166-I212 HydrophobicContact CB-CG2 4.04Å; A166-F217 HydrophobicContact CB-CD2 3.88Å; A166-F217 HydrophobicContact CB-CE2 3.39Å; A166-F217 HydrophobicContact CB-CZ 4.2Å
167	C	93.6	Very high	89.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	174.4	-179	61.2	0	0	0	0	111	L161 A180 Y210	L161-C167 HydrophobicContact CD2-CB 3.81Å; C167-A180 PolarHBondContact N-O 3.07Å; C167-A180 PolarHBondContact O-N 2.8Å; C167-Y210 WeakPolarHBondContact CA-O 3.46Å; C167-Y210 WeakPolarHBondContact CB-O 3.35Å
168	L	95.3	Very high	89.6	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.6	162.9	-62.4	175.2	0	0	0	108.4	L147 W154 Y177 S178 R179 A209 Y210 I212 I216	L147-L168 HydrophobicContact CD2-CD1 3.81Å; L147-L168 HydrophobicContact CD2-CD2 3.58Å; L147-L168 HydrophobicContact CD2-CG 4.34Å; W154-L168 HydrophobicContact CD2-CD1 4.33Å; W154-L168 HydrophobicContact CE3-CD1 3.41Å; W154-L168 VanDerWaalsContact CE3-CD1 3.41Å; W154-L168 HydrophobicContact CH2-CD1 4.01Å; W154-L168 HydrophobicContact CZ3-CD1 3.23Å; L168-Y177 HydrophobicContact CB-CD1 4.45Å; L168-S178 CarbonylContact C-O 3.5Å; L168-S178 WeakPolarHBondContact CA-O 3.21Å; L168-R179 HydrophobicContact CD2-CG 4Å; L168-A209 CarbonylContact O-C 3.38Å; L168-A209 VanDerWaalsContact O-CA 3.3Å; L168-A209 WeakPolarHBondContact O-CA 3.24Å; L168-Y210 PolarHBondContact N-O 2.92Å; L168-Y210 PolarHBondContact O-N 3.34Å; L168-I212 HydrophobicContact CD2-CB 4.42Å; L168-I212 HydrophobicContact CD2-CD1 3.81Å; L168-I212 HydrophobicContact CD2-CG1 3.91Å; L168-I212 HydrophobicContact CG-CB 4.05Å; L168-I212 HydrophobicContact CG-CD1 4.38Å; L168-I212 HydrophobicContact CG-CG1 4.03Å; L168-I216 HydrophobicContact CD2-CG2 4.31Å
169	L	94.5	Very high	89.9	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.5	173.2	-167.9	70.4	0	0	0	109	Y177 S178 A180 F193 L195 C202 N208 A209	L169-Y177 WeakPolarHBondContact O-CA 3.27Å; L169-S178 PolarHBondContact N-O 2.88Å; L169-S178 PolarHBondContact O-N 2.82Å; L169-A180 HydrophobicContact CB-CB 3.82Å; L169-F193 HydrophobicContact CD1-CD1 4.05Å; L169-F193 HydrophobicContact CD1-CD2 4.01Å; L169-F193 HydrophobicContact CD1-CE1 4.03Å; L169-F193 HydrophobicContact CD1-CE2 4Å; L169-F193 HydrophobicContact CD1-CG 4.04Å; L169-F193 HydrophobicContact CD1-CZ 4Å; L169-F193 HydrophobicContact CD2-CB 3.94Å; L169-F193 HydrophobicContact CD2-CD2 4.25Å; L169-F193 HydrophobicContact CD2-CG 4.01Å; L169-L195 HydrophobicContact CD2-CD2 4Å; L169-C202 VanDerWaalsContact CD2-SG 3.56Å; L169-N208 HydrophobicContact CD1-CB 4.43Å; L169-A209 HydrophobicContact CD1-CB 4.37Å
170	Y	95.6	Very high	90.2	Very high	47 Å²	47	61.7 Å²	61.7	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.6	174.4	-176	-118.2	0	0	0	110.5	E172 I176 Y177 N208	Y170-E172 HydrophobicContact CD1-CG 3.83Å; Y170-E172 HydrophobicContact CE1-CB 4.28Å; Y170-E172 HydrophobicContact CE1-CG 3.76Å; Y170-I176 WeakPolarHBondContact CD2-O 3.45Å; Y170-Y177 AromaticContact CD2-CD1 3.96Å; Y170-Y177 HydrophobicContact CD2-CD1 3.96Å; Y170-Y177 HydrophobicContact CD2-CD2 4.14Å; Y170-Y177 AromaticContact CD2-CE1 3.66Å; Y170-Y177 HydrophobicContact CD2-CE1 3.66Å; Y170-Y177 AromaticContact CD2-CE2 3.84Å; Y170-Y177 HydrophobicContact CD2-CE2 3.84Å; Y170-Y177 HydrophobicContact CD2-CG 4.19Å; Y170-Y177 AromaticContact CD2-CZ 3.58Å; Y170-Y177 HydrophobicContact CE2-CE2 4.12Å; Y170-Y177 HydrophobicContact CG-CD1 4.4Å; Y170-Y177 AromaticContact CG-CE1 3.96Å; Y170-Y177 HydrophobicContact CG-CE1 3.96Å; Y170-N208 PolarHBondContact N-O 2.84Å
171	D	91.4	Very high	90.4	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.241	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.7	169.1	-175.6	-31.9	0	0	0	108.1	E173 K174 R175 I176	D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 3.07Å; D171-E173 WeakPolarHBondContact OD1-CB 3.2Å; D171-E173 PolarHBondContact OD1-N 2.82Å; D171-K174 HydrophobicContact CB-CB 4.22Å; D171-K174 PolarHBondContact OD1-N 2.78Å; D171-K174 VanDerWaalsContact OD2-CD 3.23Å; D171-K174 WeakPolarHBondContact OD2-CD 3.07Å; D171-K174 WeakPolarHBondContact OD2-CE 3.35Å; D171-K174 WeakPolarHBondContact OD2-CG 3.36Å; D171-K174 IonicContact OD2-NZ 3.77Å; D171-R175 VanDerWaalsContact O-CA 3.23Å; D171-R175 WeakPolarHBondContact O-CA 3.49Å; D171-R175 PolarHBondContact O-N 2.96Å; D171-I176 HydrophobicContact CB-CG1 4.13Å; D171-I176 PolarHBondContact N-O 2.83Å; D171-I176 PolarHBondContact O-N 2.86Å
172	E	89.3	Confident	90.6	Very high	109 Å²	109	59.6 Å²	59.6	51%	0.509	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.5	-178.4	-68.6	-178.3	179.8	0	0	112.5	Y170 N208	Y170-E172 HydrophobicContact CD1-CG 3.83Å; Y170-E172 HydrophobicContact CE1-CB 4.28Å; Y170-E172 HydrophobicContact CE1-CG 3.76Å; E172-N208 PolarHBondContact OE1-OD1 2.84Å
173	E	87.8	Confident	90.4	Very high	186 Å²	186	53.5 Å²	53.5	87%	0.869	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-47	-177.8	-62.3	-173.9	167.5	0	0	110.7	D171	D171-E173 VanDerWaalsContact C-N 3.28Å; D171-E173 PolarHBondContact O-N 3.07Å; D171-E173 WeakPolarHBondContact OD1-CB 3.2Å; D171-E173 PolarHBondContact OD1-N 2.82Å
174	K	87.3	Confident	90.5	Very high	114 Å²	114	50 Å²	50	50%	0.496	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.9	179.4	-65	-178.5	-165.1	158.5	0	113.3	D171 I176	D171-K174 HydrophobicContact CB-CB 4.22Å; D171-K174 PolarHBondContact OD1-N 2.78Å; D171-K174 VanDerWaalsContact OD2-CD 3.23Å; D171-K174 WeakPolarHBondContact OD2-CD 3.07Å; D171-K174 WeakPolarHBondContact OD2-CE 3.35Å; D171-K174 WeakPolarHBondContact OD2-CG 3.36Å; D171-K174 IonicContact OD2-NZ 3.77Å; K174-I176 HydrophobicContact CB-CD1 4Å; K174-I176 HydrophobicContact CB-CG1 3.8Å; K174-I176 HydrophobicContact CB-CG2 4.43Å; K174-I176 HydrophobicContact CD-CD1 3.84Å; K174-I176 HydrophobicContact CD-CG1 4.42Å
175	R	88.6	Confident	90.6	Very high	181 Å²	181	49.9 Å²	49.9	68%	0.683	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	51.1	-171.6	-58.2	-177.4	172.8	-173.9	-2.8	111.8	H150 D171	H150-R175 PolarHBondContact CE1-O 2.95Å; H150-R175 PolarHBondContact NE2-O 3Å; H150-R175 VanDerWaalsContact NE2-O 3.11Å; D171-R175 VanDerWaalsContact O-CA 3.23Å; D171-R175 WeakPolarHBondContact O-CA 3.49Å; D171-R175 PolarHBondContact O-N 2.96Å
176	I	90.1	Very high	90	Very high	66 Å²	66	52.2 Å²	52.2	34%	0.338	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.2	177.9	64.5	178.4	0	0	0	110.9	Y170 D171 K174	Y170-I176 WeakPolarHBondContact CD2-O 3.45Å; D171-I176 HydrophobicContact CB-CG1 4.13Å; D171-I176 PolarHBondContact N-O 2.83Å; D171-I176 PolarHBondContact O-N 2.86Å; K174-I176 HydrophobicContact CB-CD1 4Å; K174-I176 HydrophobicContact CB-CG1 3.8Å; K174-I176 HydrophobicContact CB-CG2 4.43Å; K174-I176 HydrophobicContact CD-CD1 3.84Å; K174-I176 HydrophobicContact CD-CG1 4.42Å
177	Y	93.5	Very high	89.6	Confident	30 Å²	30	54 Å²	54	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.1	167.4	-66.5	-86.5	0	0	0	109.3	H150 W154 L168 L169 Y170 Y210	H150-Y177 AromaticContact CE1-CE2 3.87Å; H150-Y177 AromaticContact ND1-CE2 3.7Å; W154-Y177 HydrophobicContact CB-CE1 4.24Å; W154-Y177 AromaticContact CD1-CE1 3.89Å; W154-Y177 AromaticContact CD1-CE2 3.49Å; W154-Y177 VanDerWaalsContact CD1-CE2 3.49Å; W154-Y177 AromaticContact CD1-CZ 3.26Å; W154-Y177 VanDerWaalsContact CD1-OH 3.23Å; W154-Y177 HydrophobicContact CD2-CE1 4.46Å; W154-Y177 AromaticContact CG-CE1 3.91Å; W154-Y177 HydrophobicContact CG-CE1 3.91Å; W154-Y177 HydrophobicContact CG-CE2 4.25Å; W154-Y177 AromaticContact CG-CZ 3.76Å; W154-Y177 AromaticContact NE1-CD2 3.87Å; W154-Y177 AromaticContact NE1-CE2 3.39Å; W154-Y177 AromaticContact NE1-CZ 3.69Å; L168-Y177 HydrophobicContact CB-CD1 4.45Å; L169-Y177 WeakPolarHBondContact O-CA 3.27Å; Y170-Y177 AromaticContact CD2-CD1 3.96Å; Y170-Y177 HydrophobicContact CD2-CD1 3.96Å; Y170-Y177 HydrophobicContact CD2-CD2 4.14Å; Y170-Y177 AromaticContact CD2-CE1 3.66Å; Y170-Y177 HydrophobicContact CD2-CE1 3.66Å; Y170-Y177 AromaticContact CD2-CE2 3.84Å; Y170-Y177 HydrophobicContact CD2-CE2 3.84Å; Y170-Y177 HydrophobicContact CD2-CG 4.19Å; Y170-Y177 AromaticContact CD2-CZ 3.58Å; Y170-Y177 HydrophobicContact CE2-CE2 4.12Å; Y170-Y177 HydrophobicContact CG-CD1 4.4Å; Y170-Y177 AromaticContact CG-CE1 3.96Å; Y170-Y177 HydrophobicContact CG-CE1 3.96Å; Y177-Y210 HydrophobicContact CD1-CD2 4.33Å; Y177-Y210 AromaticContact CE1-CD2 3.8Å; Y177-Y210 HydrophobicContact CE1-CD2 3.8Å; Y177-Y210 AromaticContact CE1-CE2 3.82Å; Y177-Y210 HydrophobicContact CE1-CE2 3.82Å; Y177-Y210 HydrophobicContact CE1-CG 4.33Å
178	S	92.6	Very high	89.2	Confident	20 Å²	20	62.4 Å²	62.4	14%	0.14	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.4	174.5	-62.7	0	0	0	0	109.9	L168 L169 A180	L168-S178 CarbonylContact C-O 3.5Å; L168-S178 WeakPolarHBondContact CA-O 3.21Å; L169-S178 PolarHBondContact N-O 2.88Å; L169-S178 PolarHBondContact O-N 2.82Å; S178-A180 PolarHBondContact O-N 2.91Å
179	R	92.8	Very high	88.8	Confident	8 Å²	8	64.8 Å²	64.8	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.6	170	-59.8	-172.1	-62.2	175.1	-2.6	108.9	M144 L147 L168 V196 D197 I212 I216 S219 P220	M144-R179 HydrophobicContact CE-CG 4.13Å; L147-R179 HydrophobicContact CD1-CG 4.29Å; L168-R179 HydrophobicContact CD2-CG 4Å; R179-V196 HydrophobicContact CB-CG2 3.55Å; R179-V196 PolarHBondContact O-N 3.07Å; R179-V196 VanDerWaalsContact O-N 3.13Å; R179-D197 IonicContact CZ-OD1 2.71Å; R179-D197 IonicContact CZ-OD2 2.72Å; R179-D197 IonicContact NE-OD1 3.28Å; R179-D197 IonicContact NE-OD2 2.93Å; R179-D197 PolarHBondContact NE-OD2 2.94Å; R179-D197 IonicContact NH2-OD1 3.28Å; R179-D197 PolarHBondContact NH2-OD1 3.3Å; R179-D197 IonicContact NH2-OD2 2.91Å; R179-D197 PolarHBondContact NH2-OD2 3.47Å; R179-I212 HydrophobicContact CB-CD1 4.34Å; R179-I212 HydrophobicContact CG-CD1 3.89Å; R179-I216 HydrophobicContact CG-CG2 4.15Å; R179-I216 PolarHBondContact NH1-O 3.22Å; R179-S219 PolarHBondContact NH1-O 3.21Å; R179-P220 PolarHBondContact NH2-O 2.8Å
180	A	92.5	Very high	88.5	Confident	2 Å²	2	66.6 Å²	66.6	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.2	-176.1	0	0	0	0	0	111.5	A166 C167 L169 S178 F193 V194 L195	A166-A180 CarbonylContact C-O 3.59Å; A166-A180 WeakPolarHBondContact CA-O 3.21Å; C167-A180 PolarHBondContact N-O 3.07Å; C167-A180 PolarHBondContact O-N 2.8Å; L169-A180 HydrophobicContact CB-CB 3.82Å; S178-A180 PolarHBondContact O-N 2.91Å; A180-F193 HydrophobicContact CB-CB 4.33Å; A180-F193 HydrophobicContact CB-CD1 4.25Å; A180-V194 CarbonylContact C-O 3.6Å; A180-V194 WeakPolarHBondContact CA-O 3.28Å; A180-L195 HydrophobicContact CB-CD2 4.08Å
181	K	90.7	Very high	88.1	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.191	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.3	170.2	176.9	-175	165.6	-160.6	0	108	E164 M165 A183 F193 V194 V196	E164-K181 VanDerWaalsContact CA-CE 3.43Å; E164-K181 WeakPolarHBondContact OE1-CE 3.26Å; E164-K181 IonicContact OE1-NZ 4Å; E164-K181 PolarHBondContact OE1-NZ 3.45Å; E164-K181 WeakPolarHBondContact OE2-CE 3.07Å; E164-K181 IonicContact OE2-NZ 3.54Å; E164-K181 PolarHBondContact OE2-NZ 2.81Å; M165-K181 WeakPolarHBondContact O-CA 3.49Å; K181-A183 PolarHBondContact O-N 3.15Å; K181-F193 CarbonylContact O-C 3.47Å; K181-F193 VanDerWaalsContact O-CA 3.31Å; K181-F193 WeakPolarHBondContact O-CA 2.84Å; K181-V194 PolarHBondContact N-O 2.8Å; K181-V194 PolarHBondContact O-N 3.05Å; K181-V196 HydrophobicContact CB-CG1 4.24Å
182	L	89.3	Confident	87.9	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.7	173.5	-179.8	68.1	0	0	0	108.8	L161 E164 M165 C184 F185 F193	L161-L182 HydrophobicContact CB-CD2 4.06Å; E164-L182 WeakPolarHBondContact CA-O 3.48Å; E164-L182 PolarHBondContact N-O 3.41Å; M165-L182 PolarHBondContact O-N 2.77Å; M165-L182 VanDerWaalsContact O-N 3.14Å; L182-C184 WeakPolarHBondContact CD1-O 3.39Å; L182-F185 HydrophobicContact CD2-CD1 4.27Å; L182-F185 HydrophobicContact CD2-CD2 4.11Å; L182-F185 HydrophobicContact CD2-CE1 3.71Å; L182-F185 HydrophobicContact CD2-CE2 3.53Å; L182-F185 HydrophobicContact CD2-CG 4.47Å; L182-F185 HydrophobicContact CD2-CZ 3.31Å; L182-F193 HydrophobicContact CB-CD1 4.41Å; L182-F193 HydrophobicContact CB-CE1 4.24Å; L182-F193 HydrophobicContact CD1-CD1 4.24Å; L182-F193 HydrophobicContact CD1-CE1 3.87Å; L182-F193 HydrophobicContact CD1-CE2 4.2Å; L182-F193 HydrophobicContact CD1-CZ 3.85Å
183	A	85.5	Confident	87.8	Confident	24 Å²	24	57.9 Å²	57.9	20%	0.198	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-52.3	175.5	0	0	0	0	0	110.8	K181 L192 V194	K181-A183 PolarHBondContact O-N 3.15Å; A183-L192 HydrophobicContact CB-CB 4.43Å; A183-L192 HydrophobicContact CB-CD2 4.12Å; A183-L192 HydrophobicContact CB-CG 4.26Å; A183-L192 PolarHBondContact N-O 2.81Å; A183-V194 HydrophobicContact CB-CG2 4.25Å
184	C	86.8	Confident	87.9	Confident	40 Å²	40	50.5 Å²	50.5	27%	0.27	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.9	178.7	67.9	0	0	0	0	111.9	L182 G191 L192	L182-C184 WeakPolarHBondContact CD1-O 3.39Å; C184-G191 WeakPolarHBondContact O-CA 2.8Å; C184-L192 PolarHBondContact O-N 3.19Å
185	F	86.5	Confident	88	Confident	98 Å²	98	45.8 Å²	45.8	43%	0.43	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.3	171	-66.9	-86	0	0	0	110.7	L161 E163 L182 V206	L161-F185 HydrophobicContact CB-CZ 4.3Å; E163-F185 HydrophobicContact CG-CD2 4.25Å; E163-F185 HydrophobicContact CG-CE2 4.38Å; L182-F185 HydrophobicContact CD2-CD1 4.27Å; L182-F185 HydrophobicContact CD2-CD2 4.11Å; L182-F185 HydrophobicContact CD2-CE1 3.71Å; L182-F185 HydrophobicContact CD2-CE2 3.53Å; L182-F185 HydrophobicContact CD2-CG 4.47Å; L182-F185 HydrophobicContact CD2-CZ 3.31Å; F185-V206 HydrophobicContact CD1-CG2 4.1Å; F185-V206 HydrophobicContact CE1-CG1 4.38Å; F185-V206 HydrophobicContact CE1-CG2 4.11Å
186	C	75.2	Confident	88	Confident	68 Å²	68	38.5 Å²	38.5	46%	0.459	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	5.7	-174.7	-53.5	0	0	0	0	114.2	V190 L203	C186-V190 HydrophobicContact CB-CB 4.5Å; C186-V190 HydrophobicContact CB-CG1 4.34Å; C186-V190 PolarHBondContact N-O 3.48Å; C186-L203 HydrophobicContact CB-CD2 4.41Å
187	G	81.9	Confident	87.9	Confident	41 Å²	41	37.2 Å²	37.2	42%	0.423	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.8	166.2	-175.4	0	0	0	0	0	113.9	G189 V190	G187-G189 PolarHBondContact O-N 2.9Å; G187-V190 WeakPolarHBondContact O-CB 3.33Å; G187-V190 PolarHBondContact O-N 3Å
188	N	86.2	Confident	87.5	Confident	177 Å²	177	39.1 Å²	39.1	95%	0.947	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	30.4	177.9	-61.8	-33.4	0	0	0	115.7	V190	N188-V190 VanDerWaalsContact C-N 3.28Å; N188-V190 PolarHBondContact O-N 2.93Å
189	G	87.4	Confident	86.9	Confident	50 Å²	50	40.8 Å²	40.8	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	19.5	-177.5	0	0	0	0	0	114.2	G187 V206	G187-G189 PolarHBondContact O-N 2.9Å; G189-V206 WeakPolarHBondContact O-CB 3.31Å; G189-V206 WeakPolarHBondContact O-CG2 3.36Å; G189-V206 PolarHBondContact O-N 3.25Å
190	V	88.3	Confident	86.5	Confident	48 Å²	48	47.3 Å²	47.3	29%	0.291	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	173	-179	0	0	0	0	109.5	C186 G187 N188 L203 S204	C186-V190 HydrophobicContact CB-CB 4.5Å; C186-V190 HydrophobicContact CB-CG1 4.34Å; C186-V190 PolarHBondContact N-O 3.48Å; G187-V190 WeakPolarHBondContact O-CB 3.33Å; G187-V190 PolarHBondContact O-N 3Å; N188-V190 VanDerWaalsContact C-N 3.28Å; N188-V190 PolarHBondContact O-N 2.93Å; V190-L203 HydrophobicContact CG1-CB 4.25Å; V190-L203 HydrophobicContact CG1-CD2 4.24Å; V190-S204 WeakPolarHBondContact CA-O 3.27Å
191	G	86.4	Confident	86.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.9	171.7	0	0	0	0	0	110.8	C184 F193 S204	C184-G191 WeakPolarHBondContact O-CA 2.8Å; G191-F193 VanDerWaalsContact O-CD2 3.3Å; G191-F193 WeakPolarHBondContact O-CD2 3.37Å; G191-F193 WeakPolarHBondContact O-CE2 3.37Å; G191-S204 PolarHBondContact N-O 3.42Å; G191-S204 PolarHBondContact O-N 2.88Å
192	L	88.1	Confident	86	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.2	165.1	-177.2	69.3	0	0	0	108.8	A183 C184 L203 L429	A183-L192 HydrophobicContact CB-CB 4.43Å; A183-L192 HydrophobicContact CB-CD2 4.12Å; A183-L192 HydrophobicContact CB-CG 4.26Å; A183-L192 PolarHBondContact N-O 2.81Å; C184-L192 PolarHBondContact O-N 3.19Å; L192-L203 HydrophobicContact CB-CD2 4.17Å; L192-L203 HydrophobicContact CD1-CD2 3.8Å; L192-L203 HydrophobicContact CD1-CG 4.27Å; L192-L429 VanDerWaalsContact CD2-C 3.48Å; L192-L429 WeakPolarHBondContact CD2-OXT 2.82Å
193	F	87.3	Confident	86	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.9	-179.3	-65.4	-92.7	0	0	0	110.1	L161 L169 A180 K181 L182 G191 S201 C202 A209	L161-F193 HydrophobicContact CD1-CE1 4.49Å; L169-F193 HydrophobicContact CD1-CD1 4.05Å; L169-F193 HydrophobicContact CD1-CD2 4.01Å; L169-F193 HydrophobicContact CD1-CE1 4.03Å; L169-F193 HydrophobicContact CD1-CE2 4Å; L169-F193 HydrophobicContact CD1-CG 4.04Å; L169-F193 HydrophobicContact CD1-CZ 4Å; L169-F193 HydrophobicContact CD2-CB 3.94Å; L169-F193 HydrophobicContact CD2-CD2 4.25Å; L169-F193 HydrophobicContact CD2-CG 4.01Å; A180-F193 HydrophobicContact CB-CB 4.33Å; A180-F193 HydrophobicContact CB-CD1 4.25Å; K181-F193 CarbonylContact O-C 3.47Å; K181-F193 VanDerWaalsContact O-CA 3.31Å; K181-F193 WeakPolarHBondContact O-CA 2.84Å; L182-F193 HydrophobicContact CB-CD1 4.41Å; L182-F193 HydrophobicContact CB-CE1 4.24Å; L182-F193 HydrophobicContact CD1-CD1 4.24Å; L182-F193 HydrophobicContact CD1-CE1 3.87Å; L182-F193 HydrophobicContact CD1-CE2 4.2Å; L182-F193 HydrophobicContact CD1-CZ 3.85Å; G191-F193 VanDerWaalsContact O-CD2 3.3Å; G191-F193 WeakPolarHBondContact O-CD2 3.37Å; G191-F193 WeakPolarHBondContact O-CE2 3.37Å; F193-S201 CarbonylContact O-C 3.54Å; F193-S201 VanDerWaalsContact O-CA 3.25Å; F193-S201 WeakPolarHBondContact O-CA 3.33Å; F193-C202 PolarHBondContact N-O 3.46Å; F193-C202 PolarHBondContact O-N 2.69Å; F193-A209 HydrophobicContact CE1-CB 3.9Å; F193-A209 HydrophobicContact CZ-CB 3.96Å
194	V	89.1	Confident	86.3	Confident	31 Å²	31	55.2 Å²	55.2	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.7	167.8	-179.9	0	0	0	0	108.1	A180 K181 A183 V196	A180-V194 CarbonylContact C-O 3.6Å; A180-V194 WeakPolarHBondContact CA-O 3.28Å; K181-V194 PolarHBondContact N-O 2.8Å; K181-V194 PolarHBondContact O-N 3.05Å; A183-V194 HydrophobicContact CB-CG2 4.25Å; V194-V196 PolarHBondContact O-N 2.85Å
195	L	90.1	Very high	86.6	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	104.2	173.1	-58.3	-178	0	0	0	108.7	L169 A180 D197 E198 D199 R200	L169-L195 HydrophobicContact CD2-CD2 4Å; A180-L195 HydrophobicContact CB-CD2 4.08Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 2.86Å; L195-E198 HydrophobicContact CB-CB 4.15Å; L195-E198 PolarHBondContact O-N 3.17Å; L195-E198 VanDerWaalsContact O-N 3.11Å; L195-D199 WeakPolarHBondContact O-CA 3.32Å; L195-D199 PolarHBondContact O-N 3.43Å; L195-R200 WeakPolarHBondContact CB-O 3.2Å; L195-R200 PolarHBondContact N-O 3.35Å; L195-R200 PolarHBondContact O-N 3.28Å
196	V	88.9	Confident	86.9	Confident	27 Å²	27	50.8 Å²	50.8	16%	0.164	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.9	-167.7	-59.9	0	0	0	0	113.3	R179 K181 V194 E198 V221	R179-V196 HydrophobicContact CB-CG2 3.55Å; R179-V196 PolarHBondContact O-N 3.07Å; R179-V196 VanDerWaalsContact O-N 3.13Å; K181-V196 HydrophobicContact CB-CG1 4.24Å; V194-V196 PolarHBondContact O-N 2.85Å; V196-E198 VanDerWaalsContact C-N 3.32Å; V196-V221 HydrophobicContact CB-CG2 4.37Å; V196-V221 HydrophobicContact CG2-CG2 4.11Å; V196-V221 VanDerWaalsContact O-CG1 3.23Å; V196-V221 WeakPolarHBondContact O-CG1 3.01Å
197	D	87.9	Confident	87.8	Confident	40 Å²	40	54.5 Å²	54.5	21%	0.214	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4	177.9	-69.2	-53.1	0	0	0	113.6	R179 L195 V223	R179-D197 IonicContact CZ-OD1 2.71Å; R179-D197 IonicContact CZ-OD2 2.72Å; R179-D197 IonicContact NE-OD1 3.28Å; R179-D197 IonicContact NE-OD2 2.93Å; R179-D197 PolarHBondContact NE-OD2 2.94Å; R179-D197 IonicContact NH2-OD1 3.28Å; R179-D197 PolarHBondContact NH2-OD1 3.3Å; R179-D197 IonicContact NH2-OD2 2.91Å; R179-D197 PolarHBondContact NH2-OD2 3.47Å; L195-D197 VanDerWaalsContact C-N 3.27Å; L195-D197 PolarHBondContact O-N 2.86Å; D197-V223 VanDerWaalsContact C-CG2 3.44Å; D197-V223 WeakPolarHBondContact O-CG2 3.34Å
198	E	83.5	Confident	88.4	Confident	70 Å²	70	53.4 Å²	53.4	33%	0.327	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-11.1	178.9	-60.9	-178.6	-162.5	0	0	112.4	L195 V196 R200	L195-E198 HydrophobicContact CB-CB 4.15Å; L195-E198 PolarHBondContact O-N 3.17Å; L195-E198 VanDerWaalsContact O-N 3.11Å; V196-E198 VanDerWaalsContact C-N 3.32Å; E198-R200 HydrophobicContact CB-CB 4.09Å; E198-R200 PolarHBondContact O-N 3.01Å
199	D	80.2	Confident	88.8	Confident	55 Å²	55	45 Å²	45	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.3	52.6	-163.6	-158.5	67.6	0	0	0	113.3	F133 L195 V223	F133-D199 HydrophobicContact CD1-CB 3.78Å; F133-D199 VanDerWaalsContact CD1-OD2 3.29Å; F133-D199 WeakPolarHBondContact CD1-OD2 3.31Å; F133-D199 HydrophobicContact CE1-CB 4.1Å; F133-D199 WeakPolarHBondContact CE1-OD2 3.32Å; F133-D199 VanDerWaalsContact CZ-OD2 3.27Å; F133-D199 WeakPolarHBondContact CZ-OD2 3.48Å; L195-D199 WeakPolarHBondContact O-CA 3.32Å; L195-D199 PolarHBondContact O-N 3.43Å; D199-V223 HydrophobicContact CB-CG1 3.74Å
200	R	83.8	Confident	89.2	Confident	145 Å²	145	44.7 Å²	44.7	55%	0.547	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131	-178.2	-178.8	179.2	175.9	-177.2	0.1	110.1	L195 E198	L195-R200 WeakPolarHBondContact CB-O 3.2Å; L195-R200 PolarHBondContact N-O 3.35Å; L195-R200 PolarHBondContact O-N 3.28Å; E198-R200 HydrophobicContact CB-CB 4.09Å; E198-R200 PolarHBondContact O-N 3.01Å
201	S	86.1	Confident	89.4	Confident	62 Å²	62	42.5 Å²	42.5	43%	0.434	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.7	170.4	-49.7	0	0	0	0	111.3	F193	F193-S201 CarbonylContact O-C 3.54Å; F193-S201 VanDerWaalsContact O-CA 3.25Å; F193-S201 WeakPolarHBondContact O-CA 3.33Å
202	C	87.2	Confident	89.7	Confident	33 Å²	33	42.7 Å²	42.7	22%	0.223	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.2	171.9	64.9	0	0	0	0	111	L169 F193	L169-C202 VanDerWaalsContact CD2-SG 3.56Å; F193-C202 PolarHBondContact N-O 3.46Å; F193-C202 PolarHBondContact O-N 2.69Å
203	L	90.6	Very high	89.8	Confident	120 Å²	120	41.9 Å²	41.9	63%	0.628	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	128.9	168.6	-67.4	171.6	0	0	0	108.7	C186 V190 L192	C186-L203 HydrophobicContact CB-CD2 4.41Å; V190-L203 HydrophobicContact CG1-CB 4.25Å; V190-L203 HydrophobicContact CG1-CD2 4.24Å; L192-L203 HydrophobicContact CB-CD2 4.17Å; L192-L203 HydrophobicContact CD1-CD2 3.8Å; L192-L203 HydrophobicContact CD1-CG 4.27Å
204	S	90.5	Very high	89.9	Confident	20 Å²	20	44.8 Å²	44.8	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.8	177.2	-170.6	0	0	0	0	111.4	V190 G191 V206	V190-S204 WeakPolarHBondContact CA-O 3.27Å; G191-S204 PolarHBondContact N-O 3.42Å; G191-S204 PolarHBondContact O-N 2.88Å; S204-V206 PolarHBondContact O-N 3.21Å
205	A	93.5	Very high	89.8	Confident	31 Å²	31	44.3 Å²	44.3	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.6	174	0	0	0	0	0	109.5	K207 N208	A205-K207 HydrophobicContact CB-CD 4.35Å; A205-K207 HydrophobicContact CB-CG 3.9Å; A205-K207 PolarHBondContact O-N 2.96Å; A205-N208 WeakPolarHBondContact O-CB 3.32Å; A205-N208 PolarHBondContact O-N 2.79Å
206	V	92.7	Very high	89.8	Confident	14 Å²	14	43.5 Å²	43.5	9%	0.085	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.6	-179.7	175.9	0	0	0	0	111.9	A158 L161 F185 G189 S204 N208 A209	A158-V206 HydrophobicContact CB-CG1 3.91Å; L161-V206 HydrophobicContact CD1-CG1 3.84Å; F185-V206 HydrophobicContact CD1-CG2 4.1Å; F185-V206 HydrophobicContact CE1-CG1 4.38Å; F185-V206 HydrophobicContact CE1-CG2 4.11Å; G189-V206 WeakPolarHBondContact O-CB 3.31Å; G189-V206 WeakPolarHBondContact O-CG2 3.36Å; G189-V206 PolarHBondContact O-N 3.25Å; S204-V206 PolarHBondContact O-N 3.21Å; V206-N208 PolarHBondContact O-N 3.45Å; V206-A209 WeakPolarHBondContact O-CB 3.31Å; V206-A209 PolarHBondContact O-N 2.94Å; V206-A209 VanDerWaalsContact O-N 3.17Å
207	K	93.9	Very high	89.7	Confident	146 Å²	146	43.1 Å²	43.1	64%	0.635	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-62.3	-22.3	173.9	76.5	-179.1	-176.5	164.8	0	113.7	A205 A209	A205-K207 HydrophobicContact CB-CD 4.35Å; A205-K207 HydrophobicContact CB-CG 3.9Å; A205-K207 PolarHBondContact O-N 2.96Å; K207-A209 VanDerWaalsContact C-N 3.27Å
208	N	94.9	Very high	89.5	Confident	19 Å²	19	42.9 Å²	42.9	10%	0.102	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-87.4	1.6	-179.8	-65.4	-0.6	0	0	0	112.3	L169 Y170 E172 A205 V206 Y210	L169-N208 HydrophobicContact CD1-CB 4.43Å; Y170-N208 PolarHBondContact N-O 2.84Å; E172-N208 PolarHBondContact OE1-OD1 2.84Å; A205-N208 WeakPolarHBondContact O-CB 3.32Å; A205-N208 PolarHBondContact O-N 2.79Å; V206-N208 PolarHBondContact O-N 3.45Å; N208-Y210 VanDerWaalsContact O-CD2 3.28Å; N208-Y210 WeakPolarHBondContact O-CD2 3.5Å; N208-Y210 WeakPolarHBondContact O-CE2 3.4Å
209	A	95	Very high	89.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.7	177.4	0	0	0	0	0	111.6	A157 L161 L168 L169 F193 V206 K207	A157-A209 HydrophobicContact CB-CB 4.49Å; A157-A209 PolarHBondContact N-O 2.91Å; L161-A209 HydrophobicContact CD1-CB 3.59Å; L168-A209 CarbonylContact O-C 3.38Å; L168-A209 VanDerWaalsContact O-CA 3.3Å; L168-A209 WeakPolarHBondContact O-CA 3.24Å; L169-A209 HydrophobicContact CD1-CB 4.37Å; F193-A209 HydrophobicContact CE1-CB 3.9Å; F193-A209 HydrophobicContact CZ-CB 3.96Å; V206-A209 WeakPolarHBondContact O-CB 3.31Å; V206-A209 PolarHBondContact O-N 2.94Å; V206-A209 VanDerWaalsContact O-N 3.17Å; K207-A209 VanDerWaalsContact C-N 3.27Å
210	Y	94.9	Very high	90	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.3	-176.4	-61.7	-97.3	0	0	0	110.5	W154 F155 P156 A157 C167 L168 Y177 N208	W154-Y210 HydrophobicContact CB-CD1 3.46Å; W154-Y210 VanDerWaalsContact CB-CD1 3.46Å; W154-Y210 HydrophobicContact CB-CE1 3.87Å; W154-Y210 HydrophobicContact CB-CG 3.99Å; W154-Y210 WeakPolarHBondContact O-CD1 3.29Å; F155-Y210 CarbonylContact O-C 3.21Å; F155-Y210 WeakPolarHBondContact O-CA 3.44Å; F155-Y210 WeakPolarHBondContact O-CB 3.34Å; P156-Y210 HydrophobicContact CG-CE1 4.41Å; A157-Y210 VanDerWaalsContact CB-C 3.48Å; C167-Y210 WeakPolarHBondContact CA-O 3.46Å; C167-Y210 WeakPolarHBondContact CB-O 3.35Å; L168-Y210 PolarHBondContact N-O 2.92Å; L168-Y210 PolarHBondContact O-N 3.34Å; Y177-Y210 HydrophobicContact CD1-CD2 4.33Å; Y177-Y210 AromaticContact CE1-CD2 3.8Å; Y177-Y210 HydrophobicContact CE1-CD2 3.8Å; Y177-Y210 AromaticContact CE1-CE2 3.82Å; Y177-Y210 HydrophobicContact CE1-CE2 3.82Å; Y177-Y210 HydrophobicContact CE1-CG 4.33Å; N208-Y210 VanDerWaalsContact O-CD2 3.28Å; N208-Y210 WeakPolarHBondContact O-CD2 3.5Å; N208-Y210 WeakPolarHBondContact O-CE2 3.4Å
211	L	93.1	Very high	90.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.9	138	177.3	-62.7	174	0	0	0	108.4	L90 F93 F155 A157 M165 P213	L90-L211 HydrophobicContact CD2-CD1 3.86Å; F93-L211 HydrophobicContact CB-CB 4.33Å; F93-L211 HydrophobicContact CD1-CB 3.4Å; F93-L211 VanDerWaalsContact CD1-CB 3.4Å; F93-L211 HydrophobicContact CD1-CD1 4.36Å; F93-L211 HydrophobicContact CD2-CD1 4.05Å; F93-L211 HydrophobicContact CE1-CB 3.78Å; F93-L211 HydrophobicContact CE2-CD1 4.2Å; F93-L211 HydrophobicContact CG-CB 3.83Å; F93-L211 HydrophobicContact CG-CD1 4.14Å; F93-L211 HydrophobicContact CZ-CB 4.49Å; F93-L211 HydrophobicContact CZ-CD1 4.44Å; F155-L211 HydrophobicContact CB-CB 4.28Å; F155-L211 HydrophobicContact CB-CD1 4.06Å; F155-L211 HydrophobicContact CB-CG 4.39Å; F155-L211 PolarHBondContact O-N 3.27Å; A157-L211 HydrophobicContact CB-CD2 3.78Å; A157-L211 HydrophobicContact CB-CG 4.07Å; M165-L211 HydrophobicContact CE-CD2 4.04Å; L211-P213 WeakPolarHBondContact O-CD 3.24Å
212	I	92.3	Very high	90.3	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-91.9	121.4	179.4	-171	164	0	0	0	110.3	F93 I94 A166 L168 R179 I216 F217	F93-I212 WeakPolarHBondContact CA-O 3.42Å; I94-I212 HydrophobicContact CB-CG2 3.93Å; I94-I212 HydrophobicContact CG1-CG2 4.15Å; I94-I212 PolarHBondContact N-O 3.05Å; A166-I212 HydrophobicContact CB-CG2 4.04Å; L168-I212 HydrophobicContact CD2-CB 4.42Å; L168-I212 HydrophobicContact CD2-CD1 3.81Å; L168-I212 HydrophobicContact CD2-CG1 3.91Å; L168-I212 HydrophobicContact CG-CB 4.05Å; L168-I212 HydrophobicContact CG-CD1 4.38Å; L168-I212 HydrophobicContact CG-CG1 4.03Å; R179-I212 HydrophobicContact CB-CD1 4.34Å; R179-I212 HydrophobicContact CG-CD1 3.89Å; I212-I216 HydrophobicContact CD1-CG2 4.1Å; I212-I216 HydrophobicContact CG1-CB 4.31Å; I212-I216 HydrophobicContact CG1-CG2 4.14Å; I212-F217 HydrophobicContact CD1-CB 4.1Å; I212-F217 HydrophobicContact CD1-CD2 4.04Å; I212-F217 HydrophobicContact CG1-CB 4.14Å; I212-F217 HydrophobicContact CG2-CD2 4.39Å
213	P	91.5	Very high	90.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-62.4	144.6	173.6	-25.1	36.5	0	0	0	111.6	V53 L54 Y92 F93 W154 L211 A215 I216 F217	V53-P213 HydrophobicContact CG1-CG 4.01Å; L54-P213 HydrophobicContact CD2-CB 4.07Å; L54-P213 HydrophobicContact CD2-CG 3.95Å; Y92-P213 WeakPolarHBondContact O-CA 3.43Å; F93-P213 HydrophobicContact CE1-CG 4.33Å; W154-P213 HydrophobicContact CZ3-CG 3.99Å; L211-P213 WeakPolarHBondContact O-CD 3.24Å; P213-A215 PolarHBondContact O-N 3.18Å; P213-I216 HydrophobicContact CB-CD1 4.48Å; P213-I216 HydrophobicContact CG-CD1 4.09Å; P213-I216 PolarHBondContact O-N 3.45Å; P213-F217 PolarHBondContact O-N 2.75Å
214	K	89.4	Confident	90.6	Very high	62 Å²	62	25 Å²	25	27%	0.27	13%	0.132	S	C	.	.	H	α-helix	trans	-52.5	-39.5	174.7	-78.1	176.3	172.4	177.2	0	112.2	E91 Y92 F93 I94 Y100 I216 F217 S218	E91-K214 VanDerWaalsContact O-CD 3.28Å; E91-K214 WeakPolarHBondContact O-CD 3.25Å; E91-K214 WeakPolarHBondContact O-CE 3.43Å; E91-K214 PolarHBondContact O-NZ 2.9Å; Y92-K214 PolarHBondContact O-N 3.38Å; F93-K214 VanDerWaalsContact O-CE 3.31Å; F93-K214 WeakPolarHBondContact O-CE 3.35Å; I94-K214 HydrophobicContact CD1-CB 4.39Å; I94-K214 HydrophobicContact CD1-CG 3.63Å; I94-K214 HydrophobicContact CG1-CG 4.2Å; Y100-K214 HydrophobicContact CE2-CG 4.42Å; Y100-K214 WeakPolarHBondContact OH-CD 3.35Å; K214-I216 PolarHBondContact O-N 2.9Å; K214-F217 PolarHBondContact O-N 3.01Å; K214-S218 VanDerWaalsContact O-CB 3.32Å; K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.44Å; K214-S218 PolarHBondContact O-OG 3.42Å
215	A	86.2	Confident	90.7	Very high	20 Å²	20	28.2 Å²	28.2	17%	0.165	15%	0.145	C	C	.	.	H	α-helix	trans	-56.6	-48.3	176.8	0	0	0	0	0	112.1	K143 P213 S218	K143-A215 WeakPolarHBondContact CD-O 3.19Å; P213-A215 PolarHBondContact O-N 3.18Å; A215-S218 PolarHBondContact O-OG 2.98Å
216	I	89	Confident	90.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.4	-38.2	-179.7	-69.8	162.8	0	0	0	111.8	V53 M144 L146 L147 W154 L168 R179 I212 P213 K214 S218 S219	V53-I216 HydrophobicContact CG1-CD1 4.2Å; M144-I216 HydrophobicContact SD-CG2 4.3Å; L146-I216 HydrophobicContact CB-CD1 4.38Å; L146-I216 HydrophobicContact CB-CG1 4.45Å; L147-I216 HydrophobicContact CD1-CG2 4.17Å; L147-I216 HydrophobicContact CD2-CD1 3.68Å; L147-I216 HydrophobicContact CD2-CG1 4.45Å; L147-I216 HydrophobicContact CD2-CG2 4.01Å; L147-I216 HydrophobicContact CG-CD1 4.23Å; L147-I216 HydrophobicContact CG-CG2 4.17Å; W154-I216 HydrophobicContact CH2-CD1 3.47Å; W154-I216 VanDerWaalsContact CH2-CD1 3.47Å; W154-I216 HydrophobicContact CZ3-CD1 3.74Å; L168-I216 HydrophobicContact CD2-CG2 4.31Å; R179-I216 HydrophobicContact CG-CG2 4.15Å; R179-I216 PolarHBondContact NH1-O 3.22Å; I212-I216 HydrophobicContact CD1-CG2 4.1Å; I212-I216 HydrophobicContact CG1-CB 4.31Å; I212-I216 HydrophobicContact CG1-CG2 4.14Å; P213-I216 HydrophobicContact CB-CD1 4.48Å; P213-I216 HydrophobicContact CG-CD1 4.09Å; P213-I216 PolarHBondContact O-N 3.45Å; K214-I216 PolarHBondContact O-N 2.9Å; I216-S218 VanDerWaalsContact C-N 3.28Å; I216-S218 PolarHBondContact O-N 3.26Å; I216-S219 WeakPolarHBondContact O-CB 3.05Å; I216-S219 PolarHBondContact O-N 3.01Å; I216-S219 PolarHBondContact O-OG 2.88Å
217	F	88.3	Confident	90.7	Very high	18 Å²	18	29.9 Å²	29.9	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-31.7	178	-172.2	-108.3	0	0	0	112.6	I94 Y100 R102 A166 I212 P213 K214 S219	I94-F217 HydrophobicContact CB-CD1 4.38Å; I94-F217 HydrophobicContact CB-CG 4.4Å; I94-F217 HydrophobicContact CD1-CB 3.99Å; I94-F217 HydrophobicContact CD1-CD1 3.3Å; I94-F217 HydrophobicContact CD1-CE1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.87Å; I94-F217 HydrophobicContact CG1-CB 3.46Å; I94-F217 VanDerWaalsContact CG1-CB 3.46Å; I94-F217 HydrophobicContact CG1-CD1 3.44Å; I94-F217 VanDerWaalsContact CG1-CD1 3.44Å; I94-F217 HydrophobicContact CG1-CD2 4.22Å; I94-F217 HydrophobicContact CG1-CE1 4.12Å; I94-F217 HydrophobicContact CG1-CG 3.47Å; I94-F217 VanDerWaalsContact CG1-CG 3.47Å; I94-F217 HydrophobicContact CG2-CD1 4.16Å; I94-F217 HydrophobicContact CG2-CE1 3.96Å; I94-F217 HydrophobicContact CG2-CE2 4.5Å; I94-F217 HydrophobicContact CG2-CG 4.46Å; I94-F217 HydrophobicContact CG2-CZ 4.15Å; Y100-F217 AromaticContact CD2-CD1 3.64Å; Y100-F217 HydrophobicContact CD2-CD1 3.64Å; Y100-F217 AromaticContact CD2-CE1 3.8Å; Y100-F217 HydrophobicContact CD2-CE1 3.8Å; Y100-F217 HydrophobicContact CE2-CD1 4.49Å; Y100-F217 AromaticContact CG-CD1 3.79Å; Y100-F217 HydrophobicContact CG-CD1 3.79Å; Y100-F217 HydrophobicContact CG-CE1 4.03Å; R102-F217 HydrophobicContact CG-CZ 4.42Å; A166-F217 HydrophobicContact CB-CD2 3.88Å; A166-F217 HydrophobicContact CB-CE2 3.39Å; A166-F217 HydrophobicContact CB-CZ 4.2Å; I212-F217 HydrophobicContact CD1-CB 4.1Å; I212-F217 HydrophobicContact CD1-CD2 4.04Å; I212-F217 HydrophobicContact CG1-CB 4.14Å; I212-F217 HydrophobicContact CG2-CD2 4.39Å; P213-F217 PolarHBondContact O-N 2.75Å; K214-F217 PolarHBondContact O-N 3.01Å; F217-S219 PolarHBondContact O-N 2.96Å
218	S	83.6	Confident	90.6	Very high	35 Å²	35	23.1 Å²	23.1	25%	0.245	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.3	177.8	73.2	0	0	0	0	114.2	K143 K214 A215 I216	K143-S218 PolarHBondContact NZ-OG 2.67Å; K214-S218 VanDerWaalsContact O-CB 3.32Å; K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.44Å; K214-S218 PolarHBondContact O-OG 3.42Å; A215-S218 PolarHBondContact O-OG 2.98Å; I216-S218 VanDerWaalsContact C-N 3.28Å; I216-S218 PolarHBondContact O-N 3.26Å
219	S	86.5	Confident	90.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.109	C	C	.	.	S	Bend	trans	-66.3	131.4	174.9	-51	0	0	0	0	109.5	D141 K143 R179 I216 F217	D141-S219 WeakPolarHBondContact OD2-CA 3.43Å; D141-S219 WeakPolarHBondContact OD2-CB 3.49Å; D141-S219 PolarHBondContact OD2-OG 3.26Å; K143-S219 WeakPolarHBondContact CB-OG 3.12Å; R179-S219 PolarHBondContact NH1-O 3.21Å; I216-S219 WeakPolarHBondContact O-CB 3.05Å; I216-S219 PolarHBondContact O-N 3.01Å; I216-S219 PolarHBondContact O-OG 2.88Å; F217-S219 PolarHBondContact O-N 2.96Å
220	P	86.5	Confident	89.9	Confident	37 Å²	37	22.2 Å²	22.2	24%	0.24	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-62.4	142.1	179.9	-25.3	35.5	0	0	0	112.7	R102 I104 R179	R102-P220 CarbonylContact O-C 3.45Å; R102-P220 WeakPolarHBondContact O-CA 3.14Å; I104-P220 HydrophobicContact CB-CB 4.36Å; I104-P220 HydrophobicContact CB-CG 4.43Å; I104-P220 HydrophobicContact CD1-CB 4.19Å; I104-P220 HydrophobicContact CD1-CG 3.44Å; I104-P220 VanDerWaalsContact CD1-CG 3.44Å; I104-P220 HydrophobicContact CG1-CB 4.02Å; I104-P220 HydrophobicContact CG1-CG 3.85Å; R179-P220 PolarHBondContact NH2-O 2.8Å
221	V	87.8	Confident	89.3	Confident	9 Å²	9	20.3 Å²	20.3	6%	0.055	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-75.6	129.8	164.4	-179.1	0	0	0	0	107.7	R102 F103 V196 V223	R102-V221 PolarHBondContact O-N 3.15Å; F103-V221 HydrophobicContact CD1-CB 3.88Å; F103-V221 HydrophobicContact CD1-CG1 4.12Å; F103-V221 HydrophobicContact CE1-CB 3.59Å; F103-V221 HydrophobicContact CE1-CG1 3.46Å; F103-V221 VanDerWaalsContact CE1-CG1 3.46Å; F103-V221 HydrophobicContact CZ-CB 4.29Å; F103-V221 HydrophobicContact CZ-CG1 4.22Å; V196-V221 HydrophobicContact CB-CG2 4.37Å; V196-V221 HydrophobicContact CG2-CG2 4.11Å; V196-V221 VanDerWaalsContact O-CG1 3.23Å; V196-V221 WeakPolarHBondContact O-CG1 3.01Å; V221-V223 HydrophobicContact CG1-CB 4.31Å
222	K	89.2	Confident	88.5	Confident	55 Å²	55	25 Å²	25	24%	0.239	12%	0.12	C	C	.	.			trans	-101	-0.3	-177.7	-65.2	-173.2	178.8	-177.9	0	113.5	Q135 L136 G138 E139 F224	Q135-K222 CarbonylContact C-O 3.48Å; Q135-K222 WeakPolarHBondContact CA-O 3.19Å; Q135-K222 HydrophobicContact CG-CB 4.3Å; L136-K222 HydrophobicContact CB-CB 4.4Å; L136-K222 PolarHBondContact N-O 3.38Å; L136-K222 WeakPolarHBondContact O-CD 3.42Å; G138-K222 PolarHBondContact O-NZ 2.93Å; G138-K222 VanDerWaalsContact O-NZ 3.16Å; E139-K222 PolarHBondContact O-NZ 3.36Å; K222-F224 WeakPolarHBondContact O-CD2 3.41Å
223	V	90.5	Very high	87.5	Confident	6 Å²	6	25.4 Å²	25.4	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.8	178.4	179.7	0	0	0	0	109.8	F103 L124 V134 Q135 D197 D199 V221	F103-V223 WeakPolarHBondContact CE1-O 3.03Å; L124-V223 HydrophobicContact CD1-CB 4.18Å; L124-V223 HydrophobicContact CD1-CG1 3.71Å; L124-V223 HydrophobicContact CD1-CG2 3.42Å; L124-V223 VanDerWaalsContact CD1-CG2 3.42Å; V134-V223 CarbonylContact O-C 3.6Å; V134-V223 VanDerWaalsContact O-CA 3.29Å; V134-V223 WeakPolarHBondContact O-CA 3.24Å; Q135-V223 HydrophobicContact CB-CG2 4.39Å; Q135-V223 HydrophobicContact CG-CG2 4.29Å; D197-V223 VanDerWaalsContact C-CG2 3.44Å; D197-V223 WeakPolarHBondContact O-CG2 3.34Å; D199-V223 HydrophobicContact CB-CG1 3.74Å; V221-V223 HydrophobicContact CG1-CB 4.31Å
224	F	93	Very high	85.9	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138	179.6	-69.5	-101.8	0	0	0	109.8	F103 A105 F133 V134 L136 K222 V226 F260 V263 G268	F103-F224 HydrophobicContact CB-CE1 3.7Å; F103-F224 HydrophobicContact CB-CZ 3.78Å; F103-F224 HydrophobicContact CD1-CD1 4.33Å; F103-F224 AromaticContact CD1-CE1 3.95Å; F103-F224 HydrophobicContact CD1-CE1 3.95Å; F103-F224 HydrophobicContact CD1-CE2 4.34Å; F103-F224 AromaticContact CD1-CZ 3.95Å; F103-F224 HydrophobicContact CD1-CZ 3.95Å; F103-F224 HydrophobicContact CG-CE1 4.1Å; F103-F224 HydrophobicContact CG-CZ 4.3Å; A105-F224 HydrophobicContact CB-CE1 3.71Å; A105-F224 HydrophobicContact CB-CE2 4.42Å; A105-F224 HydrophobicContact CB-CZ 3.54Å; F133-F224 WeakPolarHBondContact CA-O 3Å; V134-F224 HydrophobicContact CG2-CB 4.11Å; V134-F224 PolarHBondContact N-O 3.35Å; V134-F224 PolarHBondContact O-N 2.88Å; L136-F224 HydrophobicContact CD1-CD2 4.04Å; L136-F224 HydrophobicContact CD1-CE2 3.47Å; L136-F224 VanDerWaalsContact CD1-CE2 3.47Å; L136-F224 HydrophobicContact CD1-CZ 4.15Å; L136-F224 HydrophobicContact CD2-CD2 4.46Å; L136-F224 HydrophobicContact CG-CD2 3.89Å; L136-F224 HydrophobicContact CG-CE2 3.77Å; K222-F224 WeakPolarHBondContact O-CD2 3.41Å; F224-V226 HydrophobicContact CB-CG1 3.86Å; F224-F260 HydrophobicContact CB-CE1 4.39Å; F224-F260 HydrophobicContact CB-CZ 4.13Å; F224-F260 HydrophobicContact CD1-CE1 4.09Å; F224-F260 AromaticContact CD1-CZ 3.88Å; F224-F260 HydrophobicContact CD1-CZ 3.88Å; F224-F260 HydrophobicContact CD2-CZ 4.29Å; F224-F260 HydrophobicContact CE1-CZ 4.36Å; F224-F260 HydrophobicContact CG-CE1 4.33Å; F224-F260 AromaticContact CG-CZ 3.84Å; F224-F260 HydrophobicContact CG-CZ 3.84Å; F224-V263 HydrophobicContact CD1-CG2 4.39Å; F224-V263 HydrophobicContact CE1-CG2 4.14Å; F224-G268 CarbonylContact C-O 3.54Å; F224-G268 VanDerWaalsContact CA-O 3.27Å; F224-G268 WeakPolarHBondContact CA-O 3.42Å; F224-G268 WeakPolarHBondContact CB-O 3.49Å; F224-G268 WeakPolarHBondContact CD1-O 3.27Å
225	Q	92.8	Very high	84.5	Confident	88 Å²	88	25.9 Å²	25.9	41%	0.411	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.8	164.8	-174.3	-177.8	-58.3	0	0	108.2	R131 F132 F133 G268 S269 G270	R131-Q225 HydrophobicContact CG-CG 4.27Å; F132-Q225 CarbonylContact O-C 3.58Å; F133-Q225 HydrophobicContact CD1-CB 3.94Å; F133-Q225 HydrophobicContact CD1-CG 4.22Å; F133-Q225 HydrophobicContact CE1-CB 3.55Å; F133-Q225 HydrophobicContact CE1-CG 3.57Å; F133-Q225 HydrophobicContact CZ-CB 4.35Å; F133-Q225 HydrophobicContact CZ-CG 3.87Å; Q225-G268 PolarHBondContact N-O 3.16Å; Q225-S269 CarbonylContact O-C 3.46Å; Q225-S269 WeakPolarHBondContact O-CA 3.42Å; Q225-G270 PolarHBondContact O-N 3.33Å
226	V	94	Very high	83.3	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.5	-173.5	-62.7	0	0	0	0	111.9	F132 V134 F224 F260 G270 V272	F132-V226 HydrophobicContact CD1-CG2 4.33Å; F132-V226 WeakPolarHBondContact CD1-O 3.48Å; F132-V226 HydrophobicContact CD2-CG2 3.46Å; F132-V226 VanDerWaalsContact CD2-CG2 3.46Å; F132-V226 HydrophobicContact CE1-CG2 4.13Å; F132-V226 HydrophobicContact CE2-CG2 3.24Å; F132-V226 HydrophobicContact CG-CG2 4.02Å; F132-V226 HydrophobicContact CZ-CB 4.49Å; F132-V226 HydrophobicContact CZ-CG2 3.6Å; F132-V226 PolarHBondContact N-O 2.77Å; F132-V226 WeakPolarHBondContact O-CG2 3.29Å; F132-V226 PolarHBondContact O-N 3.11Å; V134-V226 HydrophobicContact CB-CG2 4.49Å; V134-V226 HydrophobicContact CG1-CG2 3.88Å; V134-V226 HydrophobicContact CG2-CG1 3.93Å; V134-V226 HydrophobicContact CG2-CG2 3.86Å; F224-V226 HydrophobicContact CB-CG1 3.86Å; V226-F260 HydrophobicContact CG1-CE1 3.73Å; V226-F260 HydrophobicContact CG1-CZ 4.29Å; V226-G270 CarbonylContact C-O 3.56Å; V226-G270 VanDerWaalsContact CA-O 3.22Å; V226-G270 WeakPolarHBondContact CA-O 3.35Å; V226-V272 HydrophobicContact CB-CB 4.45Å; V226-V272 HydrophobicContact CB-CG1 3.84Å; V226-V272 HydrophobicContact CB-CG2 3.8Å; V226-V272 HydrophobicContact CG1-CG1 3.59Å; V226-V272 HydrophobicContact CG1-CG2 4.44Å; V226-V272 HydrophobicContact CG2-CG1 4.46Å; V226-V272 HydrophobicContact CG2-CG2 3.82Å
227	R	92.8	Very high	82.1	Confident	76 Å²	76	36 Å²	36	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155.3	166.5	71.2	173.3	-177	83.5	-9.8	110.3	G130 S229 G270 S271 V272 D294 E297	G130-R227 WeakPolarHBondContact O-CB 3.33Å; R227-S229 PolarHBondContact O-N 2.79Å; R227-G270 PolarHBondContact N-O 3.11Å; R227-S271 PolarHBondContact NE-OG 2.85Å; R227-S271 PolarHBondContact NH2-OG 3.17Å; R227-S271 CarbonylContact O-C 3.58Å; R227-S271 WeakPolarHBondContact O-CA 3.43Å; R227-V272 PolarHBondContact O-N 3.05Å; R227-D294 IonicContact CZ-OD2 3.13Å; R227-D294 IonicContact NH1-OD2 2.81Å; R227-D294 IonicContact NH2-OD2 3.94Å; R227-D294 PolarHBondContact NH2-OD2 3.27Å; R227-E297 IonicContact CZ-OE2 3.32Å; R227-E297 IonicContact NH1-OE2 3.3Å; R227-E297 PolarHBondContact NH1-OE2 3.46Å; R227-E297 IonicContact NH2-OE2 3.59Å; R227-E297 PolarHBondContact NH2-OE2 3.26Å
228	L	91.1	Very high	80.9	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.8	172.8	-175.9	51	0	0	0	109.6	P129 F132 V231 V272 L281 F285	P129-L228 WeakPolarHBondContact O-CB 3.26Å; P129-L228 PolarHBondContact O-N 3.29Å; F132-L228 HydrophobicContact CE1-CB 4.41Å; L228-V231 HydrophobicContact CB-CG2 3.87Å; L228-V231 HydrophobicContact CD2-CG2 3.68Å; L228-V231 HydrophobicContact CG-CG2 3.58Å; L228-V272 WeakPolarHBondContact CD1-O 3.47Å; L228-L281 HydrophobicContact CD1-CB 4.47Å; L228-L281 HydrophobicContact CD1-CD2 3.42Å; L228-L281 VanDerWaalsContact CD1-CD2 3.42Å; L228-L281 HydrophobicContact CD1-CG 4.13Å; L228-L281 HydrophobicContact CD2-CD2 3.72Å; L228-L281 HydrophobicContact CD2-CG 3.94Å; L228-L281 HydrophobicContact CG-CD2 4.14Å; L228-F285 HydrophobicContact CD2-CD2 4.07Å; L228-F285 HydrophobicContact CD2-CG 4.47Å
229	S	91.6	Very high	80.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	154.1	177.2	-54.4	0	0	0	0	112.2	R227 V231 T261 S271 V272 Y273 E297	R227-S229 PolarHBondContact O-N 2.79Å; S229-V231 PolarHBondContact O-N 2.81Å; S229-V231 VanDerWaalsContact O-N 3.11Å; S229-T261 WeakPolarHBondContact CB-OG1 3.36Å; S229-T261 VanDerWaalsContact OG-CG2 3.31Å; S229-T261 WeakPolarHBondContact OG-CG2 3.41Å; S229-T261 PolarHBondContact OG-OG1 3.27Å; S229-S271 VanDerWaalsContact OG-C 3.25Å; S229-V272 PolarHBondContact N-O 3.1Å; S229-V272 WeakPolarHBondContact OG-CA 3.47Å; S229-V272 PolarHBondContact OG-N 3.28Å; S229-V272 PolarHBondContact OG-O 3.37Å; S229-Y273 PolarHBondContact OG-N 2.73Å; S229-E297 WeakPolarHBondContact CA-OE2 3.42Å; S229-E297 VanDerWaalsContact CB-OE1 3.29Å; S229-E297 WeakPolarHBondContact CB-OE1 3.4Å; S229-E297 PolarHBondContact OG-OE1 2.74Å
230	F	84.1	Confident	79.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	0.9	170.7	-46.1	-54.8	0	0	0	116	T261 Y273 F282 L293 D294 E297 I298 V301 L307 L310 I311	F230-T261 HydrophobicContact CE1-CG2 4.26Å; F230-T261 HydrophobicContact CE2-CG2 4.14Å; F230-T261 HydrophobicContact CZ-CG2 3.66Å; F230-Y273 HydrophobicContact CD2-CD2 4.29Å; F230-Y273 AromaticContact CE2-CD2 3.95Å; F230-Y273 HydrophobicContact CE2-CD2 3.95Å; F230-F282 HydrophobicContact CB-CD2 3.8Å; F230-F282 HydrophobicContact CB-CE2 3.44Å; F230-F282 VanDerWaalsContact CB-CE2 3.44Å; F230-F282 HydrophobicContact CB-CZ 4.36Å; F230-F282 HydrophobicContact CD2-CD2 4.13Å; F230-F282 HydrophobicContact CD2-CE2 4.37Å; F230-F282 HydrophobicContact CG-CD2 4.45Å; F230-F282 HydrophobicContact CG-CE2 4.31Å; F230-L293 WeakPolarHBondContact O-CA 3.4Å; F230-L293 WeakPolarHBondContact O-CD2 3.06Å; F230-D294 PolarHBondContact O-N 3.41Å; F230-E297 HydrophobicContact CD1-CG 4.03Å; F230-E297 HydrophobicContact CE1-CG 4.17Å; F230-E297 PolarHBondContact N-OE2 2.79Å; F230-I298 HydrophobicContact CB-CD1 4.18Å; F230-I298 HydrophobicContact CB-CG1 3.8Å; F230-I298 HydrophobicContact CD1-CB 4.29Å; F230-I298 HydrophobicContact CD1-CG1 3.46Å; F230-I298 VanDerWaalsContact CD1-CG1 3.46Å; F230-I298 HydrophobicContact CE1-CG1 4.33Å; F230-I298 HydrophobicContact CG-CG1 3.96Å; F230-V301 HydrophobicContact CE1-CB 3.97Å; F230-V301 HydrophobicContact CE1-CG1 4.3Å; F230-V301 HydrophobicContact CE1-CG2 3.61Å; F230-V301 HydrophobicContact CZ-CB 4.33Å; F230-V301 HydrophobicContact CZ-CG1 4.19Å; F230-V301 HydrophobicContact CZ-CG2 3.95Å; F230-L307 HydrophobicContact CE1-CD1 4.37Å; F230-L310 HydrophobicContact CE2-CB 4.27Å; F230-L310 HydrophobicContact CE2-CD1 4.33Å; F230-L310 HydrophobicContact CZ-CB 4.35Å; F230-L310 HydrophobicContact CZ-CD1 3.84Å; F230-I311 HydrophobicContact CD2-CG2 4.22Å; F230-I311 HydrophobicContact CE2-CG2 4.22Å
231	V	81.5	Confident	78.9	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149	179.7	-63	0	0	0	0	110.6	L228 S229 W239 F282 V291 L292	L228-V231 HydrophobicContact CB-CG2 3.87Å; L228-V231 HydrophobicContact CD2-CG2 3.68Å; L228-V231 HydrophobicContact CG-CG2 3.58Å; S229-V231 PolarHBondContact O-N 2.81Å; S229-V231 VanDerWaalsContact O-N 3.11Å; V231-W239 HydrophobicContact CG2-CH2 4.09Å; V231-F282 HydrophobicContact CG1-CD2 4.08Å; V231-F282 HydrophobicContact CG1-CE2 4.04Å; V231-V291 HydrophobicContact CB-CG1 3.63Å; V231-V291 HydrophobicContact CG1-CG1 3.71Å; V231-L292 CarbonylContact C-O 3.55Å; V231-L292 VanDerWaalsContact CA-O 3.24Å; V231-L292 WeakPolarHBondContact CA-O 3.47Å
232	R	77.5	Confident	78.2	Confident	99 Å²	99	44.8 Å²	44.8	37%	0.374	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155	175.7	68.1	-179.4	-173.1	94.2	-9.7	110.2	L292	R232-L292 HydrophobicContact CG-CB 3.87Å; R232-L292 PolarHBondContact N-O 3.05Å; R232-L292 PolarHBondContact O-N 2.79Å
233	P	70.7	Confident	77.6	Confident	12 Å²	12	42.2 Å²	42.2	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	169.3	170.7	31.1	-32.1	0	0	0	110.6	S235 L238 W239	P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 WeakPolarHBondContact CB-O 3.48Å; P233-S235 WeakPolarHBondContact CG-O 3.22Å; P233-S235 PolarHBondContact O-N 2.84Å; P233-L238 VanDerWaalsContact CB-O 3.3Å; P233-L238 WeakPolarHBondContact CB-O 3.22Å; P233-W239 HydrophobicContact CB-CD2 3.85Å; P233-W239 HydrophobicContact CB-CE3 4.2Å; P233-W239 HydrophobicContact CB-CG 4.14Å; P233-W239 HydrophobicContact CB-CZ2 4.38Å; P233-W239 VanDerWaalsContact CD-CZ2 3.45Å; P233-W239 HydrophobicContact CG-CD2 4.33Å; P233-W239 HydrophobicContact CG-CZ2 4.12Å
234	V	57.1	Low	77.2	Confident	44 Å²	44	42.3 Å²	42.3	27%	0.267	21%	0.212	S	C	.	.	S	Bend	trans	-64.8	-35.1	174.4	178.1	0	0	0	0	111.1	L292 T397	V234-L292 HydrophobicContact CB-CD1 4.48Å; V234-L292 HydrophobicContact CG2-CD1 4.26Å; V234-L292 HydrophobicContact CG2-CD2 4.42Å; V234-L292 HydrophobicContact CG2-CG 4.14Å; V234-T397 HydrophobicContact CG1-CG2 4.32Å
235	S	61.3	Low	76.8	Confident	29 Å²	29	47 Å²	47	20%	0.203	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-132.4	144.5	174.1	156.3	0	0	0	0	108.1	P233 H237 L238	P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 WeakPolarHBondContact CB-O 3.48Å; P233-S235 WeakPolarHBondContact CG-O 3.22Å; P233-S235 PolarHBondContact O-N 2.84Å; S235-H237 PolarHBondContact O-N 2.87Å; S235-L238 PolarHBondContact O-N 3.06Å
236	E	60.4	Low	76.2	Confident	154 Å²	154	44.4 Å²	44.4	72%	0.72	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.8	-30.4	-163.1	-161.5	174.9	159.6	0	0	115.7
237	H	63.8	Low	75.7	Confident	80 Å²	80	44.3 Å²	44.3	37%	0.37	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	1.5	-177	-54.8	-39.2	0	0	0	114.6	S235 E408	S235-H237 PolarHBondContact O-N 2.87Å; H237-E408 IonicContact CD2-OE1 3.52Å; H237-E408 PolarHBondContact CD2-OE1 2.76Å; H237-E408 VanDerWaalsContact CD2-OE1 3.29Å; H237-E408 IonicContact NE2-OE1 3.73Å
238	L	63.5	Low	75.4	Confident	68 Å²	68	44.3 Å²	44.3	36%	0.356	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-106.2	86.4	-172.9	-67.6	178.1	0	0	0	112.1	P233 S235 I423	P233-L238 VanDerWaalsContact CB-O 3.3Å; P233-L238 WeakPolarHBondContact CB-O 3.22Å; S235-L238 PolarHBondContact O-N 3.06Å; L238-I423 HydrophobicContact CD2-CD1 3.76Å; L238-I423 HydrophobicContact CD2-CG1 3.7Å
239	W	72.1	Confident	75.1	Confident	30 Å²	30	48.8 Å²	48.8	11%	0.114	25%	0.251	C	S	.	.			trans	-84.2	136.8	170.6	-68.7	94.6	0	0	0	111.6	D128 P129 V231 P233 T241 V244 V291	D128-W239 HydrophobicContact CB-CG 4.36Å; D128-W239 PolarHBondContact OD1-NE1 3.21Å; P129-W239 HydrophobicContact CB-CD2 4.01Å; P129-W239 HydrophobicContact CB-CE3 3.96Å; P129-W239 HydrophobicContact CB-CH2 3.71Å; P129-W239 HydrophobicContact CB-CZ2 3.73Å; P129-W239 HydrophobicContact CB-CZ3 3.82Å; P129-W239 HydrophobicContact CG-CD2 3.77Å; P129-W239 HydrophobicContact CG-CE3 3.71Å; P129-W239 HydrophobicContact CG-CG 4.28Å; P129-W239 HydrophobicContact CG-CH2 4.4Å; P129-W239 HydrophobicContact CG-CZ2 4.42Å; P129-W239 HydrophobicContact CG-CZ3 4.05Å; V231-W239 HydrophobicContact CG2-CH2 4.09Å; P233-W239 HydrophobicContact CB-CD2 3.85Å; P233-W239 HydrophobicContact CB-CE3 4.2Å; P233-W239 HydrophobicContact CB-CG 4.14Å; P233-W239 HydrophobicContact CB-CZ2 4.38Å; P233-W239 VanDerWaalsContact CD-CZ2 3.45Å; P233-W239 HydrophobicContact CG-CD2 4.33Å; P233-W239 HydrophobicContact CG-CZ2 4.12Å; W239-T241 PolarHBondContact O-N 3.28Å; W239-V244 HydrophobicContact CB-CG2 3.53Å; W239-V244 HydrophobicContact CG-CG2 4.47Å; W239-V291 HydrophobicContact CZ3-CG1 4.47Å; W239-V291 HydrophobicContact CZ3-CG2 4.48Å
240	A	69.9	Low	74.8	Confident	35 Å²	35	49.5 Å²	49.5	29%	0.289	25%	0.254	S	S	.	.			trans	-61.7	134.9	171.3	0	0	0	0	0	110.6	D242 C243 V244	A240-D242 PolarHBondContact O-N 3.43Å; A240-C243 HydrophobicContact CB-CB 4.34Å; A240-C243 WeakPolarHBondContact O-CA 3.17Å; A240-C243 VanDerWaalsContact O-CB 3.25Å; A240-C243 WeakPolarHBondContact O-CB 3.01Å; A240-C243 PolarHBondContact O-N 3.16Å; A240-V244 PolarHBondContact O-N 2.83Å
241	T	72.3	Confident	74.9	Confident	55 Å²	55	49.8 Å²	49.8	34%	0.337	26%	0.255	S	S	.	.	H	α-helix	trans	-52.3	-41.8	-179	-54.7	0	0	0	0	112.8	W239 C243 V244 Q245 E419	W239-T241 PolarHBondContact O-N 3.28Å; T241-C243 VanDerWaalsContact C-N 3.29Å; T241-C243 PolarHBondContact O-N 2.9Å; T241-V244 PolarHBondContact O-N 3.43Å; T241-Q245 HydrophobicContact CG2-CG 4.42Å; T241-Q245 WeakPolarHBondContact O-CB 3.32Å; T241-Q245 WeakPolarHBondContact O-CG 3.29Å; T241-Q245 PolarHBondContact O-N 2.85Å; T241-E419 PolarHBondContact OG1-O 2.67Å
242	D	72	Confident	74.8	Confident	96 Å²	96	55.3 Å²	55.3	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-37.6	177.5	-68.7	-10.2	0	0	0	112	A240 A246 V288	A240-D242 PolarHBondContact O-N 3.43Å; D242-A246 WeakPolarHBondContact O-CB 3.01Å; D242-A246 PolarHBondContact O-N 2.95Å; D242-V288 HydrophobicContact CB-CG1 4.33Å
243	C	77	Confident	74.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-50.2	174.9	-179.5	0	0	0	0	111	A240 T241 Q245 A246 V247 V288 V291	A240-C243 HydrophobicContact CB-CB 4.34Å; A240-C243 WeakPolarHBondContact O-CA 3.17Å; A240-C243 VanDerWaalsContact O-CB 3.25Å; A240-C243 WeakPolarHBondContact O-CB 3.01Å; A240-C243 PolarHBondContact O-N 3.16Å; T241-C243 VanDerWaalsContact C-N 3.29Å; T241-C243 PolarHBondContact O-N 2.9Å; C243-Q245 VanDerWaalsContact C-N 3.3Å; C243-Q245 PolarHBondContact O-N 3.34Å; C243-A246 PolarHBondContact O-N 3.25Å; C243-V247 WeakPolarHBondContact O-CG2 3.28Å; C243-V247 PolarHBondContact O-N 3.02Å; C243-V288 HydrophobicContact CB-CG1 4.06Å; C243-V291 HydrophobicContact CB-CG2 3.94Å; C243-V291 WeakPolarHBondContact SG-CG2 3.3Å
244	V	82.9	Confident	74.2	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-46.7	178.4	178.8	0	0	0	0	110.6	F126 W239 A240 T241 R248	F126-V244 HydrophobicContact CE1-CG1 3.74Å; F126-V244 HydrophobicContact CZ-CG1 4.34Å; W239-V244 HydrophobicContact CB-CG2 3.53Å; W239-V244 HydrophobicContact CG-CG2 4.47Å; A240-V244 PolarHBondContact O-N 2.83Å; T241-V244 PolarHBondContact O-N 3.43Å; V244-R248 WeakPolarHBondContact O-CB 3.17Å; V244-R248 PolarHBondContact O-N 2.75Å
245	Q	83.3	Confident	75	Confident	100 Å²	100	61.8 Å²	61.8	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-43.7	178.9	-71.8	-178.2	6.5	0	0	112.3	T241 C243 R248 N249	T241-Q245 HydrophobicContact CG2-CG 4.42Å; T241-Q245 WeakPolarHBondContact O-CB 3.32Å; T241-Q245 WeakPolarHBondContact O-CG 3.29Å; T241-Q245 PolarHBondContact O-N 2.85Å; C243-Q245 VanDerWaalsContact C-N 3.3Å; C243-Q245 PolarHBondContact O-N 3.34Å; Q245-R248 PolarHBondContact O-N 3.13Å; Q245-N249 VanDerWaalsContact O-CB 3.31Å; Q245-N249 WeakPolarHBondContact O-CB 3.02Å; Q245-N249 PolarHBondContact O-N 3.38Å; Q245-N249 PolarHBondContact O-ND2 3.31Å
246	A	80.9	Confident	76.2	Confident	33 Å²	33	60.5 Å²	60.5	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-40.8	179.5	0	0	0	0	0	111.9	D242 C243 N249 Y250 F285 V288	D242-A246 WeakPolarHBondContact O-CB 3.01Å; D242-A246 PolarHBondContact O-N 2.95Å; C243-A246 PolarHBondContact O-N 3.25Å; A246-N249 PolarHBondContact O-N 2.87Å; A246-Y250 PolarHBondContact O-N 2.92Å; A246-F285 VanDerWaalsContact C-CE1 3.41Å; A246-F285 HydrophobicContact CB-CD1 4.36Å; A246-F285 HydrophobicContact CB-CE1 3.55Å; A246-F285 HydrophobicContact CB-CZ 4.37Å; A246-V288 HydrophobicContact CB-CG2 4.45Å
247	V	84.2	Confident	77.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-47	176.5	176.1	0	0	0	0	109.7	F126 P129 C243 N249 Y250 L251 L281 F285	F126-V247 HydrophobicContact CD2-CG1 4.42Å; F126-V247 HydrophobicContact CE2-CB 4.13Å; F126-V247 HydrophobicContact CE2-CG1 3.41Å; F126-V247 VanDerWaalsContact CE2-CG1 3.41Å; F126-V247 HydrophobicContact CZ-CB 3.91Å; F126-V247 HydrophobicContact CZ-CG1 3.74Å; P129-V247 HydrophobicContact CB-CG2 4.11Å; P129-V247 HydrophobicContact CG-CB 4.14Å; P129-V247 HydrophobicContact CG-CG1 4.44Å; P129-V247 HydrophobicContact CG-CG2 3.75Å; C243-V247 WeakPolarHBondContact O-CG2 3.28Å; C243-V247 PolarHBondContact O-N 3.02Å; V247-N249 VanDerWaalsContact C-N 3.32Å; V247-N249 PolarHBondContact O-N 2.75Å; V247-Y250 PolarHBondContact O-N 3.21Å; V247-L251 HydrophobicContact CG1-CD1 3.57Å; V247-L251 HydrophobicContact CG1-CG 4.07Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 2.94Å; V247-L251 PolarHBondContact O-N 3.47Å; V247-L281 HydrophobicContact CG1-CD1 4.25Å; V247-L281 HydrophobicContact CG1-CD2 4.41Å; V247-F285 HydrophobicContact CB-CE1 3.95Å; V247-F285 HydrophobicContact CB-CZ 4.11Å; V247-F285 HydrophobicContact CG2-CD1 3.4Å; V247-F285 VanDerWaalsContact CG2-CD1 3.4Å; V247-F285 HydrophobicContact CG2-CD2 4.09Å; V247-F285 HydrophobicContact CG2-CE1 3.14Å; V247-F285 HydrophobicContact CG2-CE2 4.07Å; V247-F285 HydrophobicContact CG2-CG 3.91Å; V247-F285 HydrophobicContact CG2-CZ 3.56Å
248	R	86.9	Confident	79	Confident	77 Å²	77	53 Å²	53	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-54.1	-49.3	175.9	-171.5	177.5	-67.4	165	-1.1	111.2	F126 V244 Q245 Y250 L251 H252 Y422	F126-R248 HydrophobicContact CD1-CB 3.91Å; F126-R248 HydrophobicContact CD1-CG 4.01Å; F126-R248 HydrophobicContact CE1-CB 3.75Å; F126-R248 HydrophobicContact CE1-CG 4.34Å; F126-R248 HydrophobicContact CZ-CB 4.41Å; V244-R248 WeakPolarHBondContact O-CB 3.17Å; V244-R248 PolarHBondContact O-N 2.75Å; Q245-R248 PolarHBondContact O-N 3.13Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 3.33Å; R248-L251 PolarHBondContact O-N 2.76Å; R248-H252 VanDerWaalsContact CG-CE1 3.48Å; R248-H252 WeakPolarHBondContact CG-CE1 3.1Å; R248-H252 PolarHBondContact O-N 2.67Å; R248-H252 PolarHBondContact O-ND1 3.03Å; R248-Y422 PolarHBondContact NH2-OH 3.17Å; R248-Y422 VanDerWaalsContact NH2-OH 3.13Å
249	N	84.1	Confident	80.3	Confident	98 Å²	98	49.8 Å²	49.8	52%	0.524	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-36.9	-179.8	-71.4	-17.9	0	0	0	112.7	Q245 A246 V247 N253	Q245-N249 VanDerWaalsContact O-CB 3.31Å; Q245-N249 WeakPolarHBondContact O-CB 3.02Å; Q245-N249 PolarHBondContact O-N 3.38Å; Q245-N249 PolarHBondContact O-ND2 3.31Å; A246-N249 PolarHBondContact O-N 2.87Å; V247-N249 VanDerWaalsContact C-N 3.32Å; V247-N249 PolarHBondContact O-N 2.75Å; N249-N253 PolarHBondContact O-ND2 3.12Å
250	Y	85.8	Confident	81.3	Confident	15 Å²	15	48.4 Å²	48.4	6%	0.059	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-47	175.3	178.9	-80.7	0	0	0	111.6	A246 V247 R248 H252 N254 L256 D275 N276 N279 L281 L284	A246-Y250 PolarHBondContact O-N 2.92Å; V247-Y250 PolarHBondContact O-N 3.21Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 3.33Å; Y250-H252 PolarHBondContact O-N 2.68Å; Y250-N254 PolarHBondContact O-ND2 3.42Å; Y250-L256 HydrophobicContact CD1-CD2 4.37Å; Y250-L256 HydrophobicContact CE1-CD2 4.04Å; Y250-D275 WeakPolarHBondContact OH-CA 3.38Å; Y250-N276 HydrophobicContact CE1-CB 4.5Å; Y250-N276 VanDerWaalsContact CE2-ND2 3.29Å; Y250-N276 WeakPolarHBondContact CE2-ND2 3.15Å; Y250-N276 PolarHBondContact OH-N 3.44Å; Y250-N279 PolarHBondContact OH-O 3.27Å; Y250-L281 HydrophobicContact CD1-CB 4.28Å; Y250-L281 HydrophobicContact CD1-CD1 3.08Å; Y250-L281 HydrophobicContact CD1-CG 4.16Å; Y250-L281 HydrophobicContact CD2-CD1 4.04Å; Y250-L281 HydrophobicContact CE1-CB 3.84Å; Y250-L281 HydrophobicContact CE1-CD1 3.59Å; Y250-L281 HydrophobicContact CE1-CG 4.2Å; Y250-L281 HydrophobicContact CE2-CB 4.5Å; Y250-L281 HydrophobicContact CE2-CD1 4.44Å; Y250-L281 HydrophobicContact CG-CD1 3.31Å; Y250-L281 PolarHBondContact OH-N 3.06Å; Y250-L284 HydrophobicContact CD2-CD1 3.35Å; Y250-L284 HydrophobicContact CE2-CD1 3.48Å; Y250-L284 VanDerWaalsContact CE2-CD1 3.48Å
251	L	85.7	Confident	82.4	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-69.8	-30.9	-173.6	-66.3	173.9	0	0	0	112.8	L123 F126 F132 V247 R248 L256 L281	L123-L251 HydrophobicContact CD1-CB 4.43Å; L123-L251 HydrophobicContact CD1-CD1 4.06Å; L123-L251 HydrophobicContact CD2-CB 3.78Å; F126-L251 HydrophobicContact CD2-CD1 3.57Å; F126-L251 HydrophobicContact CE2-CD1 3.8Å; F132-L251 HydrophobicContact CD2-CD1 4.16Å; F132-L251 HydrophobicContact CE2-CD1 4.24Å; F132-L251 HydrophobicContact CG-CD1 4.48Å; V247-L251 HydrophobicContact CG1-CD1 3.57Å; V247-L251 HydrophobicContact CG1-CG 4.07Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 2.94Å; V247-L251 PolarHBondContact O-N 3.47Å; R248-L251 PolarHBondContact O-N 2.76Å; L251-L256 HydrophobicContact CB-CD1 4.43Å; L251-L256 HydrophobicContact CD2-CD1 3.72Å; L251-L256 HydrophobicContact CD2-CD2 3.75Å; L251-L256 HydrophobicContact CD2-CG 4.41Å; L251-L281 HydrophobicContact CD2-CD1 4.46Å; L251-L281 HydrophobicContact CD2-CD2 4.15Å
252	H	80.3	Confident	83.3	Confident	121 Å²	121	49.1 Å²	49.1	56%	0.56	26%	0.259	S	S	*	.	H	α-helix	trans	-76.6	-25	-179.3	-78	70.4	0	0	0	114.1	R248 Y250	R248-H252 VanDerWaalsContact CG-CE1 3.48Å; R248-H252 WeakPolarHBondContact CG-CE1 3.1Å; R248-H252 PolarHBondContact O-N 2.67Å; R248-H252 PolarHBondContact O-ND1 3.03Å; Y250-H252 PolarHBondContact O-N 2.68Å
253	N	68.4	Low	84.1	Confident	126 Å²	126	45.4 Å²	45.4	67%	0.674	24%	0.239	S	C	*	.	S	Bend	trans	-95.7	-6.6	-166.6	-77	-38	0	0	0	114.8	N249	N249-N253 PolarHBondContact O-ND2 3.12Å
254	N	65.8	Low	84.7	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.353	26%	0.256	S	S	.	.	S	Bend	trans	-137.3	151.9	-165.9	-58.8	-63.3	0	0	0	112.9	Y250 L256 N276	Y250-N254 PolarHBondContact O-ND2 3.42Å; N254-L256 PolarHBondContact O-N 3.05Å; N254-N276 HydrophobicContact CB-CB 3.59Å; N254-N276 PolarHBondContact ND2-ND2 2.89Å
255	S	74.5	Confident	84.6	Confident	99 Å²	99	51.2 Å²	51.2	69%	0.692	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-62.5	118.8	158.9	53.9	0	0	0	0	108.5
256	L	87.6	Confident	84.4	Confident	3 Å²	3	54 Å²	54	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.6	-177.6	-60.8	172	0	0	0	110	R120 A121 L123 Y250 L251 N254 I258	R120-L256 WeakPolarHBondContact CA-O 3.5Å; A121-L256 PolarHBondContact N-O 3.24Å; L123-L256 HydrophobicContact CB-CD1 4.21Å; Y250-L256 HydrophobicContact CD1-CD2 4.37Å; Y250-L256 HydrophobicContact CE1-CD2 4.04Å; L251-L256 HydrophobicContact CB-CD1 4.43Å; L251-L256 HydrophobicContact CD2-CD1 3.72Å; L251-L256 HydrophobicContact CD2-CD2 3.75Å; L251-L256 HydrophobicContact CD2-CG 4.41Å; N254-L256 PolarHBondContact O-N 3.05Å; L256-I258 HydrophobicContact CB-CG2 4.3Å
257	E	90.3	Very high	84.4	Confident	76 Å²	76	56.3 Å²	56.3	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.7	157.6	-67.8	-169.3	160.2	0	0	107.7	Y119 A274 D275	Y119-E257 CarbonylContact O-C 3.55Å; Y119-E257 WeakPolarHBondContact O-CA 3.46Å; E257-A274 WeakPolarHBondContact O-CA 3.48Å; E257-D275 PolarHBondContact N-O 3.04Å; E257-D275 PolarHBondContact O-N 2.8Å
258	I	91.9	Very high	84.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.8	179.5	67.5	169.3	0	0	0	110.3	Y119 A121 V134 L136 L256 F260 V272 Y273 A274	Y119-I258 PolarHBondContact N-O 3.24Å; Y119-I258 PolarHBondContact O-N 3.37Å; A121-I258 HydrophobicContact CB-CD1 3.77Å; A121-I258 HydrophobicContact CB-CG1 3.84Å; A121-I258 HydrophobicContact CB-CG2 4.06Å; V134-I258 HydrophobicContact CB-CD1 4.31Å; V134-I258 HydrophobicContact CG2-CD1 3.61Å; L136-I258 HydrophobicContact CD2-CD1 3.45Å; L136-I258 VanDerWaalsContact CD2-CD1 3.45Å; L136-I258 HydrophobicContact CD2-CG1 4.1Å; L256-I258 HydrophobicContact CB-CG2 4.3Å; I258-F260 HydrophobicContact CD1-CE2 3.95Å; I258-F260 HydrophobicContact CD1-CZ 4.02Å; I258-V272 HydrophobicContact CB-CB 4.38Å; I258-V272 HydrophobicContact CD1-CG1 4.34Å; I258-Y273 CarbonylContact C-O 3.59Å; I258-Y273 WeakPolarHBondContact CA-O 3.31Å; I258-A274 HydrophobicContact CG2-CB 4.39Å
259	V	91.4	Very high	84.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.9	-178	174.5	0	0	0	0	107.9	F108 K116 A118 T261 V272 Y273 L310	F108-V259 HydrophobicContact CB-CG1 3.44Å; F108-V259 VanDerWaalsContact CB-CG1 3.44Å; F108-V259 HydrophobicContact CD1-CG1 4.48Å; F108-V259 HydrophobicContact CG-CG1 4.33Å; K116-V259 HydrophobicContact CD-CG1 4.48Å; K116-V259 HydrophobicContact CD-CG2 4.1Å; K116-V259 HydrophobicContact CG-CG1 4.04Å; K116-V259 HydrophobicContact CG-CG2 4.07Å; A118-V259 HydrophobicContact CB-CG2 3.67Å; V259-T261 PolarHBondContact O-N 3.48Å; V259-V272 CarbonylContact O-C 3.27Å; V259-V272 WeakPolarHBondContact O-CA 3.3Å; V259-Y273 PolarHBondContact N-O 3.1Å; V259-Y273 PolarHBondContact O-N 3.11Å; V259-L310 HydrophobicContact CB-CD2 4.43Å; V259-L310 HydrophobicContact CG1-CD2 3.66Å
260	F	93.2	Very high	85.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	114.1	179.9	-72.6	-85	0	0	0	110	A105 P107 F108 Y119 L136 F224 V226 I258 V263 S271 V272	A105-F260 HydrophobicContact CB-CD2 4.26Å; A105-F260 HydrophobicContact CB-CE2 4.01Å; A105-F260 HydrophobicContact CB-CZ 4.46Å; P107-F260 CarbonylContact C-O 3.48Å; P107-F260 WeakPolarHBondContact CA-O 3.49Å; F108-F260 VanDerWaalsContact CD1-O 3.25Å; F108-F260 WeakPolarHBondContact CD1-O 3.41Å; F108-F260 PolarHBondContact N-O 3.24Å; Y119-F260 AromaticContact CD2-CD2 3.82Å; Y119-F260 HydrophobicContact CD2-CD2 3.82Å; Y119-F260 HydrophobicContact CD2-CE2 4.03Å; Y119-F260 AromaticContact CE2-CD2 3.76Å; Y119-F260 HydrophobicContact CE2-CD2 3.76Å; Y119-F260 HydrophobicContact CE2-CE2 4.24Å; L136-F260 HydrophobicContact CD1-CE2 4.4Å; L136-F260 HydrophobicContact CD2-CE2 4.17Å; L136-F260 HydrophobicContact CD2-CZ 4.48Å; F224-F260 HydrophobicContact CB-CE1 4.39Å; F224-F260 HydrophobicContact CB-CZ 4.13Å; F224-F260 HydrophobicContact CD1-CE1 4.09Å; F224-F260 AromaticContact CD1-CZ 3.88Å; F224-F260 HydrophobicContact CD1-CZ 3.88Å; F224-F260 HydrophobicContact CD2-CZ 4.29Å; F224-F260 HydrophobicContact CE1-CZ 4.36Å; F224-F260 HydrophobicContact CG-CE1 4.33Å; F224-F260 AromaticContact CG-CZ 3.84Å; F224-F260 HydrophobicContact CG-CZ 3.84Å; V226-F260 HydrophobicContact CG1-CE1 3.73Å; V226-F260 HydrophobicContact CG1-CZ 4.29Å; I258-F260 HydrophobicContact CD1-CE2 3.95Å; I258-F260 HydrophobicContact CD1-CZ 4.02Å; F260-V263 HydrophobicContact CB-CB 4.19Å; F260-V263 HydrophobicContact CB-CG1 4.45Å; F260-V263 HydrophobicContact CD1-CB 3.82Å; F260-V263 HydrophobicContact CD1-CG2 4Å; F260-V263 HydrophobicContact CE1-CB 4.48Å; F260-V263 HydrophobicContact CE1-CG2 4.16Å; F260-V263 HydrophobicContact CG-CB 4.13Å; F260-V263 HydrophobicContact CG-CG2 4.49Å; F260-S271 CarbonylContact C-O 3.54Å; F260-S271 VanDerWaalsContact CA-O 3.32Å; F260-S271 WeakPolarHBondContact CA-O 3.22Å; F260-V272 HydrophobicContact CD1-CG1 3.55Å; F260-V272 HydrophobicContact CE1-CG1 3.6Å; F260-V272 HydrophobicContact CG-CG1 4.09Å; F260-V272 HydrophobicContact CZ-CG1 4.16Å
261	T	91.5	Very high	85.5	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-31.7	168	54.4	0	0	0	0	112.2	F108 S229 F230 V259 S271 E297 V301 R304 L310	F108-T261 HydrophobicContact CD1-CG2 4.2Å; F108-T261 HydrophobicContact CE1-CG2 4.1Å; S229-T261 WeakPolarHBondContact CB-OG1 3.36Å; S229-T261 VanDerWaalsContact OG-CG2 3.31Å; S229-T261 WeakPolarHBondContact OG-CG2 3.41Å; S229-T261 PolarHBondContact OG-OG1 3.27Å; F230-T261 HydrophobicContact CE1-CG2 4.26Å; F230-T261 HydrophobicContact CE2-CG2 4.14Å; F230-T261 HydrophobicContact CZ-CG2 3.66Å; V259-T261 PolarHBondContact O-N 3.48Å; T261-S271 PolarHBondContact N-O 3.46Å; T261-S271 WeakPolarHBondContact OG1-CB 3.22Å; T261-S271 PolarHBondContact OG1-O 3.18Å; T261-E297 WeakPolarHBondContact CB-OE1 3.18Å; T261-E297 PolarHBondContact OG1-OE1 2.87Å; T261-V301 HydrophobicContact CG2-CG2 4.28Å; T261-R304 PolarHBondContact O-NH1 3.26Å; T261-R304 PolarHBondContact O-NH2 3.42Å; T261-L310 HydrophobicContact CG2-CD1 3.81Å
262	D	91.5	Very high	85.9	Confident	104 Å²	104	50 Å²	50	56%	0.556	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	148	170.6	-165.3	4.5	0	0	0	108.8	G270 S271	D262-G270 CarbonylContact O-C 3.58Å; D262-G270 VanDerWaalsContact O-CA 3.22Å; D262-G270 WeakPolarHBondContact O-CA 3.5Å; D262-S271 PolarHBondContact O-N 3.24Å
263	V	89.7	Confident	86.4	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.109	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	124.2	178.5	61.5	0	0	0	0	110.6	A105 F224 F260	A105-V263 HydrophobicContact CB-CG2 4.23Å; F224-V263 HydrophobicContact CD1-CG2 4.39Å; F224-V263 HydrophobicContact CE1-CG2 4.14Å; F260-V263 HydrophobicContact CB-CB 4.19Å; F260-V263 HydrophobicContact CB-CG1 4.45Å; F260-V263 HydrophobicContact CD1-CB 3.82Å; F260-V263 HydrophobicContact CD1-CG2 4Å; F260-V263 HydrophobicContact CE1-CB 4.48Å; F260-V263 HydrophobicContact CE1-CG2 4.16Å; F260-V263 HydrophobicContact CG-CB 4.13Å; F260-V263 HydrophobicContact CG-CG2 4.49Å
264	N	88.3	Confident	87.3	Confident	67 Å²	67	38.7 Å²	38.7	36%	0.358	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	105.8	167.1	-175.2	-31.3	0	0	0	108.8	E266 T267 G268 S269	N264-E266 PolarHBondContact O-N 3.44Å; N264-E266 WeakPolarHBondContact OD1-CB 3.42Å; N264-E266 PolarHBondContact OD1-N 3.24Å; N264-T267 VanDerWaalsContact CB-OG1 3.32Å; N264-T267 WeakPolarHBondContact CB-OG1 3.25Å; N264-T267 PolarHBondContact OD1-N 3.41Å; N264-T267 PolarHBondContact OD1-OG1 2.88Å; N264-G268 WeakPolarHBondContact O-CA 3.43Å; N264-G268 PolarHBondContact O-N 3.24Å; N264-S269 PolarHBondContact N-O 2.86Å; N264-S269 PolarHBondContact O-N 3.43Å
265	V	82	Confident	88.3	Confident	65 Å²	65	37 Å²	37	39%	0.394	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.8	-178.4	-63.5	0	0	0	0	113.9	F103	F103-V265 WeakPolarHBondContact CD2-O 3.47Å
266	E	78	Confident	88.5	Confident	160 Å²	160	33.5 Å²	33.5	75%	0.748	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-43.2	177.2	-58.5	-178.2	165.6	0	0	110.8	N264	N264-E266 PolarHBondContact O-N 3.44Å; N264-E266 WeakPolarHBondContact OD1-CB 3.42Å; N264-E266 PolarHBondContact OD1-N 3.24Å
267	T	81.7	Confident	87.9	Confident	80 Å²	80	36.3 Å²	36.3	49%	0.491	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-17.6	-176.9	59.1	0	0	0	0	113.4	F103 N264 S269	F103-T267 VanDerWaalsContact CE2-C 3.42Å; N264-T267 VanDerWaalsContact CB-OG1 3.32Å; N264-T267 WeakPolarHBondContact CB-OG1 3.25Å; N264-T267 PolarHBondContact OD1-N 3.41Å; N264-T267 PolarHBondContact OD1-OG1 2.88Å; T267-S269 PolarHBondContact O-N 2.77Å; T267-S269 PolarHBondContact OG1-N 2.67Å; T267-S269 PolarHBondContact OG1-OG 3.02Å
268	G	85.1	Confident	87	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	20	-171.2	0	0	0	0	0	112.5	F103 F224 Q225 N264	F103-G268 VanDerWaalsContact CD2-CA 3.47Å; F103-G268 VanDerWaalsContact CD2-N 3.28Å; F103-G268 VanDerWaalsContact CE2-N 3.3Å; F224-G268 CarbonylContact C-O 3.54Å; F224-G268 VanDerWaalsContact CA-O 3.27Å; F224-G268 WeakPolarHBondContact CA-O 3.42Å; F224-G268 WeakPolarHBondContact CB-O 3.49Å; F224-G268 WeakPolarHBondContact CD1-O 3.27Å; Q225-G268 PolarHBondContact N-O 3.16Å; N264-G268 WeakPolarHBondContact O-CA 3.43Å; N264-G268 PolarHBondContact O-N 3.24Å
269	S	90.5	Very high	86.2	Confident	42 Å²	42	47.3 Å²	47.3	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	149.4	175.6	66.2	0	0	0	0	111.9	Q225 N264 T267	Q225-S269 CarbonylContact O-C 3.46Å; Q225-S269 WeakPolarHBondContact O-CA 3.42Å; N264-S269 PolarHBondContact N-O 2.86Å; N264-S269 PolarHBondContact O-N 3.43Å; T267-S269 PolarHBondContact O-N 2.77Å; T267-S269 PolarHBondContact OG1-N 2.67Å; T267-S269 PolarHBondContact OG1-OG 3.02Å
270	G	93.3	Very high	85.6	Confident	14 Å²	14	47.5 Å²	47.5	14%	0.144	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	173.8	177.1	0	0	0	0	0	115.1	Q225 V226 R227 D262	Q225-G270 PolarHBondContact O-N 3.33Å; V226-G270 CarbonylContact C-O 3.56Å; V226-G270 VanDerWaalsContact CA-O 3.22Å; V226-G270 WeakPolarHBondContact CA-O 3.35Å; R227-G270 PolarHBondContact N-O 3.11Å; D262-G270 CarbonylContact O-C 3.58Å; D262-G270 VanDerWaalsContact O-CA 3.22Å; D262-G270 WeakPolarHBondContact O-CA 3.5Å
271	S	94.4	Very high	85	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.7	172	-61	0	0	0	0	108.4	R227 S229 F260 T261 D262 E297	R227-S271 PolarHBondContact NE-OG 2.85Å; R227-S271 PolarHBondContact NH2-OG 3.17Å; R227-S271 CarbonylContact O-C 3.58Å; R227-S271 WeakPolarHBondContact O-CA 3.43Å; S229-S271 VanDerWaalsContact OG-C 3.25Å; F260-S271 CarbonylContact C-O 3.54Å; F260-S271 VanDerWaalsContact CA-O 3.32Å; F260-S271 WeakPolarHBondContact CA-O 3.22Å; T261-S271 PolarHBondContact N-O 3.46Å; T261-S271 WeakPolarHBondContact OG1-CB 3.22Å; T261-S271 PolarHBondContact OG1-O 3.18Å; D262-S271 PolarHBondContact O-N 3.24Å; S271-E297 WeakPolarHBondContact CB-OE1 3.25Å
272	V	93.9	Very high	84.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.7	-178.3	-59.9	0	0	0	0	112.9	F132 V226 R227 L228 S229 I258 V259 F260	F132-V272 HydrophobicContact CE2-CG2 4.11Å; F132-V272 HydrophobicContact CZ-CG2 3.64Å; V226-V272 HydrophobicContact CB-CB 4.45Å; V226-V272 HydrophobicContact CB-CG1 3.84Å; V226-V272 HydrophobicContact CB-CG2 3.8Å; V226-V272 HydrophobicContact CG1-CG1 3.59Å; V226-V272 HydrophobicContact CG1-CG2 4.44Å; V226-V272 HydrophobicContact CG2-CG1 4.46Å; V226-V272 HydrophobicContact CG2-CG2 3.82Å; R227-V272 PolarHBondContact O-N 3.05Å; L228-V272 WeakPolarHBondContact CD1-O 3.47Å; S229-V272 PolarHBondContact N-O 3.1Å; S229-V272 WeakPolarHBondContact OG-CA 3.47Å; S229-V272 PolarHBondContact OG-N 3.28Å; S229-V272 PolarHBondContact OG-O 3.37Å; I258-V272 HydrophobicContact CB-CB 4.38Å; I258-V272 HydrophobicContact CD1-CG1 4.34Å; V259-V272 CarbonylContact O-C 3.27Å; V259-V272 WeakPolarHBondContact O-CA 3.3Å; F260-V272 HydrophobicContact CD1-CG1 3.55Å; F260-V272 HydrophobicContact CE1-CG1 3.6Å; F260-V272 HydrophobicContact CG-CG1 4.09Å; F260-V272 HydrophobicContact CZ-CG1 4.16Å
273	Y	91	Very high	83.5	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	158.9	176.4	-87.4	0	0	0	108.5	S229 F230 I258 V259 D275 S280 F282 L310 I311	S229-Y273 PolarHBondContact OG-N 2.73Å; F230-Y273 HydrophobicContact CD2-CD2 4.29Å; F230-Y273 AromaticContact CE2-CD2 3.95Å; F230-Y273 HydrophobicContact CE2-CD2 3.95Å; I258-Y273 CarbonylContact C-O 3.59Å; I258-Y273 WeakPolarHBondContact CA-O 3.31Å; V259-Y273 PolarHBondContact N-O 3.1Å; V259-Y273 PolarHBondContact O-N 3.11Å; Y273-D275 HydrophobicContact CE1-CB 4.07Å; Y273-S280 VanDerWaalsContact CZ-CB 3.4Å; Y273-S280 WeakPolarHBondContact OH-CB 3.15Å; Y273-F282 HydrophobicContact CD2-CB 4.26Å; Y273-F282 HydrophobicContact CE2-CB 3.86Å; Y273-L310 WeakPolarHBondContact CE2-O 3.06Å; Y273-L310 PolarHBondContact OH-O 3.37Å; Y273-I311 HydrophobicContact CD2-CG2 4.3Å; Y273-I311 HydrophobicContact CE2-CG2 3.7Å
274	A	88.9	Confident	82.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.8	179.9	0	0	0	0	0	111.9	E257 I258 L281	E257-A274 WeakPolarHBondContact O-CA 3.48Å; I258-A274 HydrophobicContact CG2-CB 4.39Å; A274-L281 HydrophobicContact CB-CB 4.04Å; A274-L281 HydrophobicContact CB-CD2 3.69Å; A274-L281 HydrophobicContact CB-CG 4.48Å; A274-L281 VanDerWaalsContact O-CB 3.26Å; A274-L281 WeakPolarHBondContact O-CB 3.38Å; A274-L281 PolarHBondContact O-N 3.21Å
275	D	85.1	Confident	81.7	Confident	31 Å²	31	43.9 Å²	43.9	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.3	-179.5	-162.3	-23.9	0	0	0	109	Y250 E257 Y273 G277	Y250-D275 WeakPolarHBondContact OH-CA 3.38Å; E257-D275 PolarHBondContact N-O 3.04Å; E257-D275 PolarHBondContact O-N 2.8Å; Y273-D275 HydrophobicContact CE1-CB 4.07Å; D275-G277 WeakPolarHBondContact OD1-CA 3.38Å; D275-G277 PolarHBondContact OD1-N 2.98Å
276	N	79.8	Confident	81	Confident	25 Å²	25	41.7 Å²	41.7	13%	0.134	23%	0.225	C	C	.	.			trans	-116.9	13.7	173.1	67.4	14.3	0	0	0	112.8	Y250 N254 R278 N279	Y250-N276 HydrophobicContact CE1-CB 4.5Å; Y250-N276 VanDerWaalsContact CE2-ND2 3.29Å; Y250-N276 WeakPolarHBondContact CE2-ND2 3.15Å; Y250-N276 PolarHBondContact OH-N 3.44Å; N254-N276 HydrophobicContact CB-CB 3.59Å; N254-N276 PolarHBondContact ND2-ND2 2.89Å; N276-R278 PolarHBondContact O-N 3.37Å; N276-R278 PolarHBondContact OD1-N 3.43Å; N276-N279 PolarHBondContact N-O 3.13Å; N276-N279 PolarHBondContact OD1-N 3.06Å; N276-N279 PolarHBondContact OD1-O 3.37Å
277	G	73.8	Confident	80.3	Confident	62 Å²	62	42.3 Å²	42.3	64%	0.639	23%	0.225	S	C	*	.	S	Bend	trans	79.1	-5.4	-178	0	0	0	0	0	114.5	D275	D275-G277 WeakPolarHBondContact OD1-CA 3.38Å; D275-G277 PolarHBondContact OD1-N 2.98Å
278	R	71.6	Confident	79.4	Confident	222 Å²	222	40 Å²	40	84%	0.838	21%	0.211	S	C	*	.	S	Bend	trans	-117.9	-46.8	177.4	-66	-175.9	178.7	-177.2	0.7	112.6	N276	N276-R278 PolarHBondContact O-N 3.37Å; N276-R278 PolarHBondContact OD1-N 3.43Å
279	N	74.7	Confident	78	Confident	85 Å²	85	41.7 Å²	41.7	46%	0.455	22%	0.219	S	C	.	.	S	Bend	trans	-134	146.2	179.2	-63.9	-46.2	0	0	0	107.3	Y250 N276 L284	Y250-N279 PolarHBondContact OH-O 3.27Å; N276-N279 PolarHBondContact N-O 3.13Å; N276-N279 PolarHBondContact OD1-N 3.06Å; N276-N279 PolarHBondContact OD1-O 3.37Å; N279-L284 HydrophobicContact CB-CD1 3.96Å; N279-L284 HydrophobicContact CB-CG 4.22Å
280	S	79.5	Confident	76.4	Confident	5 Å²	5	40.3 Å²	40.3	4%	0.035	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-77.4	147.6	163.4	76.1	0	0	0	0	110.3	Y273 F282 D283	Y273-S280 VanDerWaalsContact CZ-CB 3.4Å; Y273-S280 WeakPolarHBondContact OH-CB 3.15Å; S280-F282 VanDerWaalsContact C-N 3.26Å; S280-F282 PolarHBondContact O-N 3.26Å; S280-D283 VanDerWaalsContact OG-CB 3.26Å; S280-D283 WeakPolarHBondContact OG-CB 3.36Å; S280-D283 PolarHBondContact OG-N 3.45Å; S280-D283 PolarHBondContact OG-OD2 2.91Å
281	L	80.5	Confident	75	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-52.2	169.9	-170.2	71.4	0	0	0	106.6	L228 V247 Y250 L251 A274 D283 L284 F285	L228-L281 HydrophobicContact CD1-CB 4.47Å; L228-L281 HydrophobicContact CD1-CD2 3.42Å; L228-L281 VanDerWaalsContact CD1-CD2 3.42Å; L228-L281 HydrophobicContact CD1-CG 4.13Å; L228-L281 HydrophobicContact CD2-CD2 3.72Å; L228-L281 HydrophobicContact CD2-CG 3.94Å; L228-L281 HydrophobicContact CG-CD2 4.14Å; V247-L281 HydrophobicContact CG1-CD1 4.25Å; V247-L281 HydrophobicContact CG1-CD2 4.41Å; Y250-L281 HydrophobicContact CD1-CB 4.28Å; Y250-L281 HydrophobicContact CD1-CD1 3.08Å; Y250-L281 HydrophobicContact CD1-CG 4.16Å; Y250-L281 HydrophobicContact CD2-CD1 4.04Å; Y250-L281 HydrophobicContact CE1-CB 3.84Å; Y250-L281 HydrophobicContact CE1-CD1 3.59Å; Y250-L281 HydrophobicContact CE1-CG 4.2Å; Y250-L281 HydrophobicContact CE2-CB 4.5Å; Y250-L281 HydrophobicContact CE2-CD1 4.44Å; Y250-L281 HydrophobicContact CG-CD1 3.31Å; Y250-L281 PolarHBondContact OH-N 3.06Å; L251-L281 HydrophobicContact CD2-CD1 4.46Å; L251-L281 HydrophobicContact CD2-CD2 4.15Å; A274-L281 HydrophobicContact CB-CB 4.04Å; A274-L281 HydrophobicContact CB-CD2 3.69Å; A274-L281 HydrophobicContact CB-CG 4.48Å; A274-L281 VanDerWaalsContact O-CB 3.26Å; A274-L281 WeakPolarHBondContact O-CB 3.38Å; A274-L281 PolarHBondContact O-N 3.21Å; L281-D283 PolarHBondContact O-N 3.19Å; L281-L284 WeakPolarHBondContact O-CB 3.45Å; L281-L284 PolarHBondContact O-N 2.79Å; L281-F285 HydrophobicContact CB-CD2 4.21Å; L281-F285 HydrophobicContact CB-CE2 3.94Å; L281-F285 HydrophobicContact CD1-CD2 3.77Å; L281-F285 HydrophobicContact CD1-CE2 2.92Å; L281-F285 HydrophobicContact CD1-CZ 3.42Å; L281-F285 VanDerWaalsContact CD1-CZ 3.42Å; L281-F285 HydrophobicContact CD2-CE2 4.48Å; L281-F285 HydrophobicContact CG-CD2 3.51Å; L281-F285 HydrophobicContact CG-CE2 3.19Å; L281-F285 HydrophobicContact CG-CZ 4.15Å; L281-F285 WeakPolarHBondContact O-CD2 2.94Å; L281-F285 WeakPolarHBondContact O-CE2 3.41Å; L281-F285 PolarHBondContact O-N 3.05Å; L281-F285 VanDerWaalsContact O-N 3.08Å
282	F	79.9	Confident	73.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-48.4	-50.7	-179.4	-177.5	-96	0	0	0	115.3	F230 V231 Y273 S280 L284 F285 I286 L293 I311 Y314	F230-F282 HydrophobicContact CB-CD2 3.8Å; F230-F282 HydrophobicContact CB-CE2 3.44Å; F230-F282 VanDerWaalsContact CB-CE2 3.44Å; F230-F282 HydrophobicContact CB-CZ 4.36Å; F230-F282 HydrophobicContact CD2-CD2 4.13Å; F230-F282 HydrophobicContact CD2-CE2 4.37Å; F230-F282 HydrophobicContact CG-CD2 4.45Å; F230-F282 HydrophobicContact CG-CE2 4.31Å; V231-F282 HydrophobicContact CG1-CD2 4.08Å; V231-F282 HydrophobicContact CG1-CE2 4.04Å; Y273-F282 HydrophobicContact CD2-CB 4.26Å; Y273-F282 HydrophobicContact CE2-CB 3.86Å; S280-F282 VanDerWaalsContact C-N 3.26Å; S280-F282 PolarHBondContact O-N 3.26Å; F282-L284 PolarHBondContact O-N 2.59Å; F282-F285 PolarHBondContact O-N 2.97Å; F282-F285 VanDerWaalsContact O-N 3.13Å; F282-I286 HydrophobicContact CE1-CD1 4.3Å; F282-I286 HydrophobicContact CE2-CD1 4.31Å; F282-I286 HydrophobicContact CZ-CD1 3.77Å; F282-I286 PolarHBondContact O-N 2.85Å; F282-L293 HydrophobicContact CE2-CD2 3.84Å; F282-L293 HydrophobicContact CZ-CD2 3.82Å; F282-I311 HydrophobicContact CB-CG2 4.3Å; F282-I311 HydrophobicContact CD1-CB 4.22Å; F282-I311 HydrophobicContact CD1-CG2 3.37Å; F282-I311 HydrophobicContact CE1-CB 4.17Å; F282-I311 HydrophobicContact CE1-CD1 4.04Å; F282-I311 HydrophobicContact CE1-CG2 3.71Å; F282-I311 HydrophobicContact CG-CG2 3.81Å; F282-I311 HydrophobicContact CZ-CD1 4.08Å; F282-I311 HydrophobicContact CZ-CG2 4.42Å; F282-Y314 AromaticContact CE1-CD2 3.58Å; F282-Y314 HydrophobicContact CE1-CD2 3.58Å; F282-Y314 AromaticContact CE1-CE2 3.63Å; F282-Y314 HydrophobicContact CE1-CE2 3.63Å; F282-Y314 HydrophobicContact CE1-CG 4.2Å; F282-Y314 HydrophobicContact CZ-CD2 4.39Å; F282-Y314 HydrophobicContact CZ-CE2 4.38Å
283	D	72.3	Confident	72.5	Confident	48 Å²	48	40.6 Å²	40.6	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-24.7	-178	-70	-48.5	0	0	0	113.1	S280 L281 S313	S280-D283 VanDerWaalsContact OG-CB 3.26Å; S280-D283 WeakPolarHBondContact OG-CB 3.36Å; S280-D283 PolarHBondContact OG-N 3.45Å; S280-D283 PolarHBondContact OG-OD2 2.91Å; L281-D283 PolarHBondContact O-N 3.19Å; D283-S313 PolarHBondContact OD1-OG 2.93Å
284	L	69.8	Low	71.9	Confident	63 Å²	63	41.3 Å²	41.3	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-78	-43.9	173.1	-65.5	170.1	0	0	0	110.9	Y250 N279 L281 F282 K287	Y250-L284 HydrophobicContact CD2-CD1 3.35Å; Y250-L284 HydrophobicContact CE2-CD1 3.48Å; Y250-L284 VanDerWaalsContact CE2-CD1 3.48Å; N279-L284 HydrophobicContact CB-CD1 3.96Å; N279-L284 HydrophobicContact CB-CG 4.22Å; L281-L284 WeakPolarHBondContact O-CB 3.45Å; L281-L284 PolarHBondContact O-N 2.79Å; F282-L284 PolarHBondContact O-N 2.59Å; L284-K287 PolarHBondContact O-N 3.03Å
285	F	70.5	Confident	70.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-76	-29	-173.1	-67.4	-66.3	0	0	0	114.6	L228 A246 V247 L281 F282 K287 V288	L228-F285 HydrophobicContact CD2-CD2 4.07Å; L228-F285 HydrophobicContact CD2-CG 4.47Å; A246-F285 VanDerWaalsContact C-CE1 3.41Å; A246-F285 HydrophobicContact CB-CD1 4.36Å; A246-F285 HydrophobicContact CB-CE1 3.55Å; A246-F285 HydrophobicContact CB-CZ 4.37Å; V247-F285 HydrophobicContact CB-CE1 3.95Å; V247-F285 HydrophobicContact CB-CZ 4.11Å; V247-F285 HydrophobicContact CG2-CD1 3.4Å; V247-F285 VanDerWaalsContact CG2-CD1 3.4Å; V247-F285 HydrophobicContact CG2-CD2 4.09Å; V247-F285 HydrophobicContact CG2-CE1 3.14Å; V247-F285 HydrophobicContact CG2-CE2 4.07Å; V247-F285 HydrophobicContact CG2-CG 3.91Å; V247-F285 HydrophobicContact CG2-CZ 3.56Å; L281-F285 HydrophobicContact CB-CD2 4.21Å; L281-F285 HydrophobicContact CB-CE2 3.94Å; L281-F285 HydrophobicContact CD1-CD2 3.77Å; L281-F285 HydrophobicContact CD1-CE2 2.92Å; L281-F285 HydrophobicContact CD1-CZ 3.42Å; L281-F285 VanDerWaalsContact CD1-CZ 3.42Å; L281-F285 HydrophobicContact CD2-CE2 4.48Å; L281-F285 HydrophobicContact CG-CD2 3.51Å; L281-F285 HydrophobicContact CG-CE2 3.19Å; L281-F285 HydrophobicContact CG-CZ 4.15Å; L281-F285 WeakPolarHBondContact O-CD2 2.94Å; L281-F285 WeakPolarHBondContact O-CE2 3.41Å; L281-F285 PolarHBondContact O-N 3.05Å; L281-F285 VanDerWaalsContact O-N 3.08Å; F282-F285 PolarHBondContact O-N 2.97Å; F282-F285 VanDerWaalsContact O-N 3.13Å; F285-K287 PolarHBondContact O-N 3.15Å; F285-V288 HydrophobicContact CD1-CG2 4.16Å; F285-V288 WeakPolarHBondContact O-CB 3.1Å; F285-V288 PolarHBondContact O-N 2.67Å
286	I	66.6	Low	70.1	Confident	19 Å²	19	46.9 Å²	46.9	10%	0.097	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.2	178.9	-160.8	130.4	0	0	0	113.5	F282 L293 Y314	F282-I286 HydrophobicContact CE1-CD1 4.3Å; F282-I286 HydrophobicContact CE2-CD1 4.31Å; F282-I286 HydrophobicContact CZ-CD1 3.77Å; F282-I286 PolarHBondContact O-N 2.85Å; I286-L293 HydrophobicContact CD1-CD1 4.13Å; I286-L293 HydrophobicContact CD1-CD2 3.32Å; I286-L293 HydrophobicContact CD1-CG 3.93Å; I286-Y314 HydrophobicContact CD1-CE1 4.02Å; I286-Y314 HydrophobicContact CD1-CE2 4.38Å; I286-Y314 WeakPolarHBondContact CD1-OH 3.43Å; I286-Y314 VanDerWaalsContact CG1-OH 3.25Å; I286-Y314 WeakPolarHBondContact CG1-OH 3.29Å; I286-Y314 HydrophobicContact CG2-CE2 4.35Å; I286-Y314 WeakPolarHBondContact CG2-OH 3.32Å
287	K	63.9	Low	70.3	Confident	172 Å²	172	46.4 Å²	46.4	75%	0.748	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9	173.7	-59.1	175.3	-172.5	168.1	0	112.9	L284 F285	L284-K287 PolarHBondContact O-N 3.03Å; F285-K287 PolarHBondContact O-N 3.15Å
288	V	62	Low	70.4	Confident	31 Å²	31	43.9 Å²	43.9	19%	0.188	21%	0.212	C	C	.	.	S	Bend	trans	-87.7	135.4	-179.4	-175.5	0	0	0	0	109.8	D242 C243 A246 F285	D242-V288 HydrophobicContact CB-CG1 4.33Å; C243-V288 HydrophobicContact CB-CG1 4.06Å; A246-V288 HydrophobicContact CB-CG2 4.45Å; F285-V288 HydrophobicContact CD1-CG2 4.16Å; F285-V288 WeakPolarHBondContact O-CB 3.1Å; F285-V288 PolarHBondContact O-N 2.67Å
289	E	55.8	Low	70.3	Confident	37 Å²	37	33.5 Å²	33.5	17%	0.173	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	144.2	177.7	-73.1	162	-114.8	0	0	111.8	F376 F377 R380	E289-F376 HydrophobicContact CG-CD1 3.77Å; E289-F376 HydrophobicContact CG-CE1 3.86Å; E289-F376 WeakPolarHBondContact OE1-CE1 3.34Å; E289-F376 WeakPolarHBondContact OE1-CZ 3.44Å; E289-F376 WeakPolarHBondContact OE2-CE1 3.46Å; E289-F377 HydrophobicContact CB-CE2 3.99Å; E289-F377 HydrophobicContact CB-CZ 3.79Å; E289-F377 HydrophobicContact CG-CE2 4.24Å; E289-F377 HydrophobicContact CG-CZ 4.19Å; E289-F377 WeakPolarHBondContact OE2-CE1 3.48Å; E289-R380 VanDerWaalsContact CD-NH1 3.27Å; E289-R380 IonicContact OE1-CZ 3.2Å; E289-R380 IonicContact OE1-NH1 2.78Å; E289-R380 PolarHBondContact OE1-NH1 3.25Å; E289-R380 IonicContact OE1-NH2 3.42Å; E289-R380 IonicContact OE2-NH1 3.19Å; E289-R380 PolarHBondContact OE2-NH1 3.39Å
290	G	57.4	Low	70.6	Confident	13 Å²	13	31.7 Å²	31.7	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	7.7	173.3	0	0	0	0	0	115.9
291	V	63.8	Low	70.7	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	173.4	-176.9	0	0	0	0	109.5	V231 W239 C243	V231-V291 HydrophobicContact CB-CG1 3.63Å; V231-V291 HydrophobicContact CG1-CG1 3.71Å; W239-V291 HydrophobicContact CZ3-CG1 4.47Å; W239-V291 HydrophobicContact CZ3-CG2 4.48Å; C243-V291 HydrophobicContact CB-CG2 3.94Å; C243-V291 WeakPolarHBondContact SG-CG2 3.3Å
292	L	66.1	Low	70.5	Confident	4 Å²	4	34 Å²	34	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	156.8	172.7	-56.1	-174.5	0	0	0	110.1	V231 R232 V234 H370	V231-L292 CarbonylContact C-O 3.55Å; V231-L292 VanDerWaalsContact CA-O 3.24Å; V231-L292 WeakPolarHBondContact CA-O 3.47Å; R232-L292 HydrophobicContact CG-CB 3.87Å; R232-L292 PolarHBondContact N-O 3.05Å; R232-L292 PolarHBondContact O-N 2.79Å; V234-L292 HydrophobicContact CB-CD1 4.48Å; V234-L292 HydrophobicContact CG2-CD1 4.26Å; V234-L292 HydrophobicContact CG2-CD2 4.42Å; V234-L292 HydrophobicContact CG2-CG 4.14Å; L292-H370 WeakPolarHBondContact CD1-NE2 3.47Å; L292-H370 WeakPolarHBondContact CD2-NE2 3.38Å
293	L	70.4	Confident	70.4	Confident	20 Å²	20	42.2 Å²	42.2	11%	0.105	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133	172.1	-74.1	176.9	0	0	0	110.6	F230 F282 I286 I295 I298	F230-L293 WeakPolarHBondContact O-CA 3.4Å; F230-L293 WeakPolarHBondContact O-CD2 3.06Å; F282-L293 HydrophobicContact CE2-CD2 3.84Å; F282-L293 HydrophobicContact CZ-CD2 3.82Å; I286-L293 HydrophobicContact CD1-CD1 4.13Å; I286-L293 HydrophobicContact CD1-CD2 3.32Å; I286-L293 HydrophobicContact CD1-CG 3.93Å; L293-I295 HydrophobicContact CB-CD1 3.91Å; L293-I295 HydrophobicContact CB-CG1 4.45Å; L293-I295 HydrophobicContact CD1-CD1 4.46Å; L293-I295 PolarHBondContact O-N 3.5Å; L293-I295 VanDerWaalsContact O-N 3.17Å; L293-I298 HydrophobicContact CB-CD1 4.11Å; L293-I298 HydrophobicContact CD1-CD1 4.4Å; L293-I298 HydrophobicContact CD2-CD1 3.87Å; L293-I298 HydrophobicContact CG-CD1 4.36Å
294	D	76.9	Confident	70.7	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.134	21%	0.209	C	C	.	.			trans	-80.9	87.5	166.1	-174.2	-13.1	0	0	0	108.7	R227 F230 D296 E297 I298	R227-D294 IonicContact CZ-OD2 3.13Å; R227-D294 IonicContact NH1-OD2 2.81Å; R227-D294 IonicContact NH2-OD2 3.94Å; R227-D294 PolarHBondContact NH2-OD2 3.27Å; F230-D294 PolarHBondContact O-N 3.41Å; D294-D296 VanDerWaalsContact C-N 3.31Å; D294-D296 PolarHBondContact O-N 3.24Å; D294-D296 PolarHBondContact OD1-N 3.18Å; D294-E297 HydrophobicContact CB-CB 4.16Å; D294-E297 PolarHBondContact O-N 2.69Å; D294-E297 PolarHBondContact OD1-N 2.92Å; D294-E297 VanDerWaalsContact OD1-N 3.16Å; D294-I298 VanDerWaalsContact O-CG1 3.23Å; D294-I298 WeakPolarHBondContact O-CG1 3.34Å; D294-I298 PolarHBondContact O-N 2.99Å
295	I	67.6	Low	71	Confident	27 Å²	27	43.7 Å²	43.7	14%	0.138	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-36.4	-175.1	-67	-57.9	0	0	0	112.2	L293 I298 A299 L362 A366	L293-I295 HydrophobicContact CB-CD1 3.91Å; L293-I295 HydrophobicContact CB-CG1 4.45Å; L293-I295 HydrophobicContact CD1-CD1 4.46Å; L293-I295 PolarHBondContact O-N 3.5Å; L293-I295 VanDerWaalsContact O-N 3.17Å; I295-I298 HydrophobicContact CD1-CD1 4.5Å; I295-I298 PolarHBondContact O-N 3.43Å; I295-A299 VanDerWaalsContact O-CB 3.24Å; I295-A299 WeakPolarHBondContact O-CB 3.21Å; I295-A299 PolarHBondContact O-N 3.46Å; I295-L362 HydrophobicContact CG2-CB 3.52Å; I295-L362 HydrophobicContact CG2-CD1 3.95Å; I295-L362 HydrophobicContact CG2-CD2 4.23Å; I295-L362 HydrophobicContact CG2-CG 4.11Å; I295-A366 HydrophobicContact CD1-CB 4.27Å; I295-A366 HydrophobicContact CG1-CB 4.04Å
296	D	70.2	Confident	71.5	Confident	121 Å²	121	44.5 Å²	44.5	65%	0.647	23%	0.226	S	C	*	.	H	α-helix	trans	-68.6	-40.2	-177.4	-68.7	-35.3	0	0	0	110.4	D294 S300	D294-D296 VanDerWaalsContact C-N 3.31Å; D294-D296 PolarHBondContact O-N 3.24Å; D294-D296 PolarHBondContact OD1-N 3.18Å; D296-S300 VanDerWaalsContact O-CB 3.27Å; D296-S300 WeakPolarHBondContact O-CB 3.49Å; D296-S300 PolarHBondContact O-N 2.82Å
297	E	82.9	Confident	72	Confident	15 Å²	15	43.7 Å²	43.7	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-44.9	173.3	-172.8	175.5	-167.6	0	0	112.2	R227 S229 F230 T261 S271 D294 A299 S300 V301	R227-E297 IonicContact CZ-OE2 3.32Å; R227-E297 IonicContact NH1-OE2 3.3Å; R227-E297 PolarHBondContact NH1-OE2 3.46Å; R227-E297 IonicContact NH2-OE2 3.59Å; R227-E297 PolarHBondContact NH2-OE2 3.26Å; S229-E297 WeakPolarHBondContact CA-OE2 3.42Å; S229-E297 VanDerWaalsContact CB-OE1 3.29Å; S229-E297 WeakPolarHBondContact CB-OE1 3.4Å; S229-E297 PolarHBondContact OG-OE1 2.74Å; F230-E297 HydrophobicContact CD1-CG 4.03Å; F230-E297 HydrophobicContact CE1-CG 4.17Å; F230-E297 PolarHBondContact N-OE2 2.79Å; T261-E297 WeakPolarHBondContact CB-OE1 3.18Å; T261-E297 PolarHBondContact OG1-OE1 2.87Å; S271-E297 WeakPolarHBondContact CB-OE1 3.25Å; D294-E297 HydrophobicContact CB-CB 4.16Å; D294-E297 PolarHBondContact O-N 2.69Å; D294-E297 PolarHBondContact OD1-N 2.92Å; D294-E297 VanDerWaalsContact OD1-N 3.16Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3Å; E297-S300 WeakPolarHBondContact O-CB 3.26Å; E297-S300 PolarHBondContact O-N 3.5Å; E297-V301 WeakPolarHBondContact O-CG2 3.47Å; E297-V301 PolarHBondContact O-N 2.87Å
298	I	76	Confident	72.7	Confident	9 Å²	9	37.2 Å²	37.2	5%	0.046	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-47	176.7	-65.4	168.2	0	0	0	110.2	F230 L293 D294 I295 S300 V301 W302 L307 F318	F230-I298 HydrophobicContact CB-CD1 4.18Å; F230-I298 HydrophobicContact CB-CG1 3.8Å; F230-I298 HydrophobicContact CD1-CB 4.29Å; F230-I298 HydrophobicContact CD1-CG1 3.46Å; F230-I298 VanDerWaalsContact CD1-CG1 3.46Å; F230-I298 HydrophobicContact CE1-CG1 4.33Å; F230-I298 HydrophobicContact CG-CG1 3.96Å; L293-I298 HydrophobicContact CB-CD1 4.11Å; L293-I298 HydrophobicContact CD1-CD1 4.4Å; L293-I298 HydrophobicContact CD2-CD1 3.87Å; L293-I298 HydrophobicContact CG-CD1 4.36Å; D294-I298 VanDerWaalsContact O-CG1 3.23Å; D294-I298 WeakPolarHBondContact O-CG1 3.34Å; D294-I298 PolarHBondContact O-N 2.99Å; I295-I298 HydrophobicContact CD1-CD1 4.5Å; I295-I298 PolarHBondContact O-N 3.43Å; I298-S300 VanDerWaalsContact C-N 3.32Å; I298-S300 PolarHBondContact O-N 2.85Å; I298-V301 PolarHBondContact O-N 3.26Å; I298-W302 WeakPolarHBondContact O-CB 3.33Å; I298-W302 PolarHBondContact O-N 2.81Å; I298-L307 HydrophobicContact CG2-CD1 3.89Å; I298-L307 HydrophobicContact CG2-CD2 3.97Å; I298-F318 HydrophobicContact CB-CE2 4.43Å; I298-F318 HydrophobicContact CG2-CD2 3.57Å; I298-F318 HydrophobicContact CG2-CE2 3.32Å; I298-F318 HydrophobicContact CG2-CZ 4.3Å
299	A	69.2	Low	73.5	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-38.3	178.3	0	0	0	0	0	111.8	I295 E297 W302 R303 L362	I295-A299 VanDerWaalsContact O-CB 3.24Å; I295-A299 WeakPolarHBondContact O-CB 3.21Å; I295-A299 PolarHBondContact O-N 3.46Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3Å; A299-W302 PolarHBondContact O-N 3.25Å; A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 VanDerWaalsContact O-CG 3.28Å; A299-R303 WeakPolarHBondContact O-CG 3.35Å; A299-R303 PolarHBondContact O-N 2.96Å; A299-L362 HydrophobicContact CB-CD1 3.98Å
300	S	80.6	Confident	74.7	Confident	47 Å²	47	38.4 Å²	38.4	33%	0.329	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-49.7	174.1	176.5	0	0	0	0	111.7	D296 E297 I298 W302 R303 R304	D296-S300 VanDerWaalsContact O-CB 3.27Å; D296-S300 WeakPolarHBondContact O-CB 3.49Å; D296-S300 PolarHBondContact O-N 2.82Å; E297-S300 WeakPolarHBondContact O-CB 3.26Å; E297-S300 PolarHBondContact O-N 3.5Å; I298-S300 VanDerWaalsContact C-N 3.32Å; I298-S300 PolarHBondContact O-N 2.85Å; S300-W302 VanDerWaalsContact C-N 3.34Å; S300-W302 PolarHBondContact O-N 3.13Å; S300-R303 PolarHBondContact O-N 2.83Å; S300-R304 WeakPolarHBondContact O-CG 3.43Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 PolarHBondContact O-NE 2.82Å
301	V	81.7	Confident	75.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-38.5	177.4	170.2	0	0	0	0	112.1	F108 F230 T261 E297 I298 R304 G305 F306 L307 L310	F108-V301 HydrophobicContact CE1-CG1 4.31Å; F108-V301 HydrophobicContact CE1-CG2 3.85Å; F108-V301 HydrophobicContact CZ-CB 4.32Å; F108-V301 HydrophobicContact CZ-CG1 3.87Å; F108-V301 HydrophobicContact CZ-CG2 3.94Å; F230-V301 HydrophobicContact CE1-CB 3.97Å; F230-V301 HydrophobicContact CE1-CG1 4.3Å; F230-V301 HydrophobicContact CE1-CG2 3.61Å; F230-V301 HydrophobicContact CZ-CB 4.33Å; F230-V301 HydrophobicContact CZ-CG1 4.19Å; F230-V301 HydrophobicContact CZ-CG2 3.95Å; T261-V301 HydrophobicContact CG2-CG2 4.28Å; E297-V301 WeakPolarHBondContact O-CG2 3.47Å; E297-V301 PolarHBondContact O-N 2.87Å; I298-V301 PolarHBondContact O-N 3.26Å; V301-R304 PolarHBondContact O-N 3.39Å; V301-G305 PolarHBondContact O-N 3.19Å; V301-F306 PolarHBondContact O-N 3.14Å; V301-L307 HydrophobicContact CB-CD1 4.17Å; V301-L307 HydrophobicContact CG1-CB 4.22Å; V301-L307 HydrophobicContact CG1-CD1 3.78Å; V301-L310 HydrophobicContact CG1-CD1 3.88Å
302	W	77.7	Confident	76	Confident	52 Å²	52	41.5 Å²	41.5	20%	0.197	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.6	174.3	-98.2	0	0	0	112.3	I298 A299 S300 R304 G305 L307 F318 K319 N322	I298-W302 WeakPolarHBondContact O-CB 3.33Å; I298-W302 PolarHBondContact O-N 2.81Å; A299-W302 PolarHBondContact O-N 3.25Å; S300-W302 VanDerWaalsContact C-N 3.34Å; S300-W302 PolarHBondContact O-N 3.13Å; W302-R304 PolarHBondContact O-N 2.97Å; W302-G305 WeakPolarHBondContact O-CA 3.42Å; W302-G305 PolarHBondContact O-N 2.81Å; W302-L307 HydrophobicContact CB-CB 4.34Å; W302-L307 HydrophobicContact CB-CD2 4.3Å; W302-L307 HydrophobicContact CE3-CB 3.72Å; W302-L307 HydrophobicContact CE3-CD2 3.71Å; W302-L307 HydrophobicContact CE3-CG 4.35Å; W302-L307 HydrophobicContact CZ3-CB 4.48Å; W302-F318 HydrophobicContact CB-CD1 4.19Å; W302-F318 HydrophobicContact CB-CE1 3.5Å; W302-F318 HydrophobicContact CB-CZ 3.71Å; W302-F318 AromaticContact CD1-CE1 3.41Å; W302-F318 VanDerWaalsContact CD1-CE1 3.41Å; W302-F318 AromaticContact CD2-CD1 3.34Å; W302-F318 HydrophobicContact CD2-CD1 3.34Å; W302-F318 AromaticContact CD2-CE1 3.25Å; W302-F318 HydrophobicContact CD2-CE1 3.25Å; W302-F318 HydrophobicContact CD2-CZ 4.33Å; W302-F318 AromaticContact CE2-CD1 3.88Å; W302-F318 AromaticContact CE2-CE1 3.75Å; W302-F318 AromaticContact CE3-CD1 3.36Å; W302-F318 HydrophobicContact CE3-CD1 3.36Å; W302-F318 AromaticContact CE3-CE1 3.79Å; W302-F318 HydrophobicContact CE3-CE1 3.79Å; W302-F318 HydrophobicContact CE3-CG 4.26Å; W302-F318 AromaticContact CG-CD1 3.69Å; W302-F318 HydrophobicContact CG-CD1 3.69Å; W302-F318 AromaticContact CG-CE1 3.06Å; W302-F318 HydrophobicContact CG-CE1 3.06Å; W302-F318 AromaticContact CG-CZ 3.76Å; W302-F318 HydrophobicContact CG-CZ 3.76Å; W302-F318 HydrophobicContact CH2-CD1 4.47Å; W302-F318 HydrophobicContact CZ2-CD1 4.43Å; W302-F318 AromaticContact CZ3-CD1 3.96Å; W302-F318 HydrophobicContact CZ3-CD1 3.96Å; W302-F318 AromaticContact NE1-CE1 3.77Å; W302-K319 HydrophobicContact CH2-CB 3.53Å; W302-K319 HydrophobicContact CH2-CD 4.3Å; W302-K319 HydrophobicContact CH2-CG 3.75Å; W302-K319 HydrophobicContact CZ2-CB 4.36Å; W302-K319 HydrophobicContact CZ2-CG 4.34Å; W302-K319 HydrophobicContact CZ3-CB 4.09Å; W302-N322 HydrophobicContact CZ2-CB 4.15Å; W302-N322 WeakPolarHBondContact CZ2-ND2 3.32Å; W302-N322 PolarHBondContact NE1-ND2 3.32Å; W302-N322 PolarHBondContact NE1-OD1 2.93Å; W302-N322 VanDerWaalsContact NE1-OD1 3.11Å
303	R	76.5	Confident	75.8	Confident	173 Å²	173	44.7 Å²	44.7	65%	0.653	25%	0.249	S	C	*	.	H	α-helix	trans	-59.6	-28.3	179	-74	175.4	-164.3	136.5	3.7	112.7	A299 S300 G305	A299-R303 WeakPolarHBondContact O-CB 3.48Å; A299-R303 VanDerWaalsContact O-CG 3.28Å; A299-R303 WeakPolarHBondContact O-CG 3.35Å; A299-R303 PolarHBondContact O-N 2.96Å; S300-R303 PolarHBondContact O-N 2.83Å; R303-G305 VanDerWaalsContact C-N 3.28Å
304	R	78.7	Confident	75.6	Confident	82 Å²	82	47.7 Å²	47.7	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-77	-14.7	175	-64.6	179.3	-60.7	154.9	-20	112.5	F108 D109 T261 S300 V301 W302 F306	F108-R304 VanDerWaalsContact CZ-CZ 3.47Å; D109-R304 IonicContact OD1-NH1 3.46Å; D109-R304 PolarHBondContact OD1-NH1 2.9Å; D109-R304 WeakPolarHBondContact OD2-CD 3.45Å; D109-R304 IonicContact OD2-CZ 3.57Å; D109-R304 IonicContact OD2-NE 3.65Å; D109-R304 IonicContact OD2-NH1 2.78Å; D109-R304 PolarHBondContact OD2-NH1 3.09Å; T261-R304 PolarHBondContact O-NH1 3.26Å; T261-R304 PolarHBondContact O-NH2 3.42Å; S300-R304 WeakPolarHBondContact O-CG 3.43Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 PolarHBondContact O-NE 2.82Å; V301-R304 PolarHBondContact O-N 3.39Å; W302-R304 PolarHBondContact O-N 2.97Å; R304-F306 VanDerWaalsContact C-CD2 3.46Å; R304-F306 HydrophobicContact CB-CD2 4Å; R304-F306 HydrophobicContact CB-CE2 4.47Å; R304-F306 WeakPolarHBondContact O-CD2 3.48Å; R304-F306 WeakPolarHBondContact O-CE2 3.34Å
305	G	76.7	Confident	75	Confident	61 Å²	61	47 Å²	47	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	11.9	174	0	0	0	0	0	115.3	V301 W302 R303	V301-G305 PolarHBondContact O-N 3.19Å; W302-G305 WeakPolarHBondContact O-CA 3.42Å; W302-G305 PolarHBondContact O-N 2.81Å; R303-G305 VanDerWaalsContact C-N 3.28Å
306	F	79.9	Confident	74.5	Confident	21 Å²	21	51.3 Å²	51.3	9%	0.092	28%	0.28	C	S	.	.			trans	-118	1	-167.5	-66.5	-96.3	0	0	0	115	F108 D109 V301 R304 G308 Q309 L310	F108-F306 HydrophobicContact CD2-CB 3.64Å; F108-F306 AromaticContact CD2-CD1 3.81Å; F108-F306 HydrophobicContact CD2-CD1 3.81Å; F108-F306 HydrophobicContact CD2-CD2 4.18Å; F108-F306 AromaticContact CD2-CG 3.64Å; F108-F306 HydrophobicContact CD2-CG 3.64Å; F108-F306 HydrophobicContact CE2-CB 3.11Å; F108-F306 AromaticContact CE2-CD1 3.92Å; F108-F306 HydrophobicContact CE2-CD1 3.92Å; F108-F306 AromaticContact CE2-CD2 3.49Å; F108-F306 HydrophobicContact CE2-CD2 3.49Å; F108-F306 VanDerWaalsContact CE2-CD2 3.49Å; F108-F306 HydrophobicContact CE2-CE2 4.34Å; F108-F306 AromaticContact CE2-CG 3.25Å; F108-F306 HydrophobicContact CE2-CG 3.25Å; F108-F306 HydrophobicContact CZ-CB 3.97Å; F108-F306 HydrophobicContact CZ-CD2 4.48Å; F108-F306 HydrophobicContact CZ-CG 4.4Å; D109-F306 HydrophobicContact CB-CD2 3.75Å; D109-F306 HydrophobicContact CB-CE1 4.16Å; D109-F306 HydrophobicContact CB-CE2 3.31Å; D109-F306 HydrophobicContact CB-CG 4.36Å; D109-F306 HydrophobicContact CB-CZ 3.55Å; V301-F306 PolarHBondContact O-N 3.14Å; R304-F306 VanDerWaalsContact C-CD2 3.46Å; R304-F306 HydrophobicContact CB-CD2 4Å; R304-F306 HydrophobicContact CB-CE2 4.47Å; R304-F306 WeakPolarHBondContact O-CD2 3.48Å; R304-F306 WeakPolarHBondContact O-CE2 3.34Å; F306-G308 PolarHBondContact O-N 3.36Å; F306-G308 VanDerWaalsContact O-N 3.16Å; F306-Q309 WeakPolarHBondContact O-CB 3.33Å; F306-Q309 PolarHBondContact O-N 2.95Å; F306-L310 PolarHBondContact O-N 3.22Å
307	L	79	Confident	73.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-38.7	-176.5	-164.7	71.3	0	0	0	112.4	F230 I298 V301 W302 Q309 L310 I311 F318	F230-L307 HydrophobicContact CE1-CD1 4.37Å; I298-L307 HydrophobicContact CG2-CD1 3.89Å; I298-L307 HydrophobicContact CG2-CD2 3.97Å; V301-L307 HydrophobicContact CB-CD1 4.17Å; V301-L307 HydrophobicContact CG1-CB 4.22Å; V301-L307 HydrophobicContact CG1-CD1 3.78Å; W302-L307 HydrophobicContact CB-CB 4.34Å; W302-L307 HydrophobicContact CB-CD2 4.3Å; W302-L307 HydrophobicContact CE3-CB 3.72Å; W302-L307 HydrophobicContact CE3-CD2 3.71Å; W302-L307 HydrophobicContact CE3-CG 4.35Å; W302-L307 HydrophobicContact CZ3-CB 4.48Å; L307-Q309 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L307-I311 HydrophobicContact CD1-CD1 3.64Å; L307-I311 HydrophobicContact CD1-CG1 3.62Å; L307-I311 HydrophobicContact CD2-CD1 4.41Å; L307-I311 HydrophobicContact CD2-CG1 4.45Å; L307-I311 HydrophobicContact CG-CD1 4.04Å; L307-I311 HydrophobicContact CG-CG1 3.7Å; L307-I311 PolarHBondContact O-N 3.34Å; L307-F318 HydrophobicContact CD2-CB 3.72Å; L307-F318 HydrophobicContact CD2-CD1 3.86Å; L307-F318 HydrophobicContact CD2-CD2 3.77Å; L307-F318 HydrophobicContact CD2-CE1 4.49Å; L307-F318 HydrophobicContact CD2-CE2 4.33Å; L307-F318 HydrophobicContact CD2-CG 3.48Å; L307-F318 VanDerWaalsContact CD2-CG 3.48Å
308	G	77	Confident	72.4	Confident	37 Å²	37	47.5 Å²	47.5	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-26.4	175.9	0	0	0	0	0	115.1	F306 P312 A315	F306-G308 PolarHBondContact O-N 3.36Å; F306-G308 VanDerWaalsContact O-N 3.16Å; G308-P312 WeakPolarHBondContact O-CB 3.29Å; G308-A315 VanDerWaalsContact CA-CB 3.47Å
309	Q	80.5	Confident	71.3	Confident	91 Å²	91	51.8 Å²	51.8	43%	0.425	29%	0.285	S	S	.	.	H	α-helix	trans	-82.4	-23	177.9	-56.6	-177.1	27.1	0	0	112.3	F306 L307	F306-Q309 WeakPolarHBondContact O-CB 3.33Å; F306-Q309 PolarHBondContact O-N 2.95Å; L307-Q309 PolarHBondContact O-N 2.9Å
310	L	81	Confident	70.5	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-98.8	-50.3	-178.3	-60.3	-177.7	0	0	0	111.7	F108 K116 F230 V259 T261 Y273 V301 F306 L307 P312	F108-L310 HydrophobicContact CD1-CD1 3.77Å; F108-L310 HydrophobicContact CE1-CD1 3.85Å; F108-L310 HydrophobicContact CG-CD1 4.17Å; F108-L310 HydrophobicContact CZ-CD1 4.31Å; K116-L310 HydrophobicContact CD-CD2 3.88Å; K116-L310 HydrophobicContact CG-CD2 4.29Å; F230-L310 HydrophobicContact CE2-CB 4.27Å; F230-L310 HydrophobicContact CE2-CD1 4.33Å; F230-L310 HydrophobicContact CZ-CB 4.35Å; F230-L310 HydrophobicContact CZ-CD1 3.84Å; V259-L310 HydrophobicContact CB-CD2 4.43Å; V259-L310 HydrophobicContact CG1-CD2 3.66Å; T261-L310 HydrophobicContact CG2-CD1 3.81Å; Y273-L310 WeakPolarHBondContact CE2-O 3.06Å; Y273-L310 PolarHBondContact OH-O 3.37Å; V301-L310 HydrophobicContact CG1-CD1 3.88Å; F306-L310 PolarHBondContact O-N 3.22Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L310-P312 WeakPolarHBondContact O-CD 3.34Å
311	I	76.8	Confident	68.9	Low	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.301	C	S	.	.			trans	-127.7	68.3	-179.1	54.9	173	0	0	0	110.5	F230 Y273 F282 L307 S313 Y314 A315	F230-I311 HydrophobicContact CD2-CG2 4.22Å; F230-I311 HydrophobicContact CE2-CG2 4.22Å; Y273-I311 HydrophobicContact CD2-CG2 4.3Å; Y273-I311 HydrophobicContact CE2-CG2 3.7Å; F282-I311 HydrophobicContact CB-CG2 4.3Å; F282-I311 HydrophobicContact CD1-CB 4.22Å; F282-I311 HydrophobicContact CD1-CG2 3.37Å; F282-I311 HydrophobicContact CE1-CB 4.17Å; F282-I311 HydrophobicContact CE1-CD1 4.04Å; F282-I311 HydrophobicContact CE1-CG2 3.71Å; F282-I311 HydrophobicContact CG-CG2 3.81Å; F282-I311 HydrophobicContact CZ-CD1 4.08Å; F282-I311 HydrophobicContact CZ-CG2 4.42Å; L307-I311 HydrophobicContact CD1-CD1 3.64Å; L307-I311 HydrophobicContact CD1-CG1 3.62Å; L307-I311 HydrophobicContact CD2-CD1 4.41Å; L307-I311 HydrophobicContact CD2-CG1 4.45Å; L307-I311 HydrophobicContact CG-CD1 4.04Å; L307-I311 HydrophobicContact CG-CG1 3.7Å; L307-I311 PolarHBondContact O-N 3.34Å; I311-S313 PolarHBondContact O-N 3.38Å; I311-S313 VanDerWaalsContact O-N 3.11Å; I311-Y314 HydrophobicContact CD1-CG 4.39Å; I311-Y314 PolarHBondContact O-N 3.05Å; I311-A315 PolarHBondContact O-N 3.09Å
312	P	70.5	Confident	67.1	Low	80 Å²	80	55.8 Å²	55.8	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-55.5	-33.8	-176.8	21.3	-32.6	0	0	0	112.6	G308 L310 Y314 A315	G308-P312 WeakPolarHBondContact O-CB 3.29Å; L310-P312 WeakPolarHBondContact O-CD 3.34Å; P312-Y314 PolarHBondContact O-N 3.42Å; P312-A315 PolarHBondContact O-N 3.01Å; P312-A315 VanDerWaalsContact O-N 3.16Å
313	S	62.7	Low	65.7	Low	71 Å²	71	55 Å²	55	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-58	-28.5	175.8	50.5	0	0	0	0	113.9	D283 I311	D283-S313 PolarHBondContact OD1-OG 2.93Å; I311-S313 PolarHBondContact O-N 3.38Å; I311-S313 VanDerWaalsContact O-N 3.11Å
314	Y	64.8	Low	64.1	Low	83 Å²	83	48.8 Å²	48.8	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-103.9	-14.2	178.7	-80.5	-101.1	0	0	0	112.6	F282 I286 I311 P312 D316 G317 F318	F282-Y314 AromaticContact CE1-CD2 3.58Å; F282-Y314 HydrophobicContact CE1-CD2 3.58Å; F282-Y314 AromaticContact CE1-CE2 3.63Å; F282-Y314 HydrophobicContact CE1-CE2 3.63Å; F282-Y314 HydrophobicContact CE1-CG 4.2Å; F282-Y314 HydrophobicContact CZ-CD2 4.39Å; F282-Y314 HydrophobicContact CZ-CE2 4.38Å; I286-Y314 HydrophobicContact CD1-CE1 4.02Å; I286-Y314 HydrophobicContact CD1-CE2 4.38Å; I286-Y314 WeakPolarHBondContact CD1-OH 3.43Å; I286-Y314 VanDerWaalsContact CG1-OH 3.25Å; I286-Y314 WeakPolarHBondContact CG1-OH 3.29Å; I286-Y314 HydrophobicContact CG2-CE2 4.35Å; I286-Y314 WeakPolarHBondContact CG2-OH 3.32Å; I311-Y314 HydrophobicContact CD1-CG 4.39Å; I311-Y314 PolarHBondContact O-N 3.05Å; P312-Y314 PolarHBondContact O-N 3.42Å; Y314-D316 PolarHBondContact O-N 3.14Å; Y314-G317 PolarHBondContact O-N 2.96Å; Y314-F318 WeakPolarHBondContact O-CA 3.46Å; Y314-F318 WeakPolarHBondContact O-CB 3.48Å; Y314-F318 PolarHBondContact O-N 3.41Å
315	A	64.7	Low	62.2	Low	10 Å²	10	45.8 Å²	45.8	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-41.4	-171.6	0	0	0	0	0	112.6	G308 I311 P312 K319	G308-A315 VanDerWaalsContact CA-CB 3.47Å; I311-A315 PolarHBondContact O-N 3.09Å; P312-A315 PolarHBondContact O-N 3.01Å; P312-A315 VanDerWaalsContact O-N 3.16Å; A315-K319 WeakPolarHBondContact O-CA 3.23Å; A315-K319 WeakPolarHBondContact O-CB 3.13Å; A315-K319 PolarHBondContact O-N 3.09Å
316	D	58.1	Low	60.5	Low	118 Å²	118	47.4 Å²	47.4	63%	0.631	27%	0.27	S	S	*	.	H	α-helix	trans	-71.4	-40.4	177.3	-70.6	-20.9	0	0	0	112	Y314 K319 L320	Y314-D316 PolarHBondContact O-N 3.14Å; D316-K319 PolarHBondContact O-N 3.47Å; D316-L320 VanDerWaalsContact O-CB 3.29Å; D316-L320 WeakPolarHBondContact O-CB 3.36Å; D316-L320 VanDerWaalsContact O-CG 3.23Å; D316-L320 WeakPolarHBondContact O-CG 3.46Å; D316-L320 PolarHBondContact O-N 2.76Å
317	G	54.6	Low	58.9	Low	32 Å²	32	49 Å²	49	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-48	175.6	0	0	0	0	0	110.9	Y314 K319 L320 V321	Y314-G317 PolarHBondContact O-N 2.96Å; G317-K319 VanDerWaalsContact C-N 3.35Å; G317-L320 PolarHBondContact O-N 3.04Å; G317-V321 VanDerWaalsContact O-CB 3.24Å; G317-V321 WeakPolarHBondContact O-CB 3.2Å; G317-V321 WeakPolarHBondContact O-CG2 3.27Å; G317-V321 PolarHBondContact O-N 2.96Å
318	F	53.1	Low	57	Low	24 Å²	24	56 Å²	56	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-47	172.9	-169.4	-75.2	0	0	0	109.9	I298 W302 L307 Y314 V321 N322 L362	I298-F318 HydrophobicContact CB-CE2 4.43Å; I298-F318 HydrophobicContact CG2-CD2 3.57Å; I298-F318 HydrophobicContact CG2-CE2 3.32Å; I298-F318 HydrophobicContact CG2-CZ 4.3Å; W302-F318 HydrophobicContact CB-CD1 4.19Å; W302-F318 HydrophobicContact CB-CE1 3.5Å; W302-F318 HydrophobicContact CB-CZ 3.71Å; W302-F318 AromaticContact CD1-CE1 3.41Å; W302-F318 VanDerWaalsContact CD1-CE1 3.41Å; W302-F318 AromaticContact CD2-CD1 3.34Å; W302-F318 HydrophobicContact CD2-CD1 3.34Å; W302-F318 AromaticContact CD2-CE1 3.25Å; W302-F318 HydrophobicContact CD2-CE1 3.25Å; W302-F318 HydrophobicContact CD2-CZ 4.33Å; W302-F318 AromaticContact CE2-CD1 3.88Å; W302-F318 AromaticContact CE2-CE1 3.75Å; W302-F318 AromaticContact CE3-CD1 3.36Å; W302-F318 HydrophobicContact CE3-CD1 3.36Å; W302-F318 AromaticContact CE3-CE1 3.79Å; W302-F318 HydrophobicContact CE3-CE1 3.79Å; W302-F318 HydrophobicContact CE3-CG 4.26Å; W302-F318 AromaticContact CG-CD1 3.69Å; W302-F318 HydrophobicContact CG-CD1 3.69Å; W302-F318 AromaticContact CG-CE1 3.06Å; W302-F318 HydrophobicContact CG-CE1 3.06Å; W302-F318 AromaticContact CG-CZ 3.76Å; W302-F318 HydrophobicContact CG-CZ 3.76Å; W302-F318 HydrophobicContact CH2-CD1 4.47Å; W302-F318 HydrophobicContact CZ2-CD1 4.43Å; W302-F318 AromaticContact CZ3-CD1 3.96Å; W302-F318 HydrophobicContact CZ3-CD1 3.96Å; W302-F318 AromaticContact NE1-CE1 3.77Å; L307-F318 HydrophobicContact CD2-CB 3.72Å; L307-F318 HydrophobicContact CD2-CD1 3.86Å; L307-F318 HydrophobicContact CD2-CD2 3.77Å; L307-F318 HydrophobicContact CD2-CE1 4.49Å; L307-F318 HydrophobicContact CD2-CE2 4.33Å; L307-F318 HydrophobicContact CD2-CG 3.48Å; L307-F318 VanDerWaalsContact CD2-CG 3.48Å; Y314-F318 WeakPolarHBondContact O-CA 3.46Å; Y314-F318 WeakPolarHBondContact O-CB 3.48Å; Y314-F318 PolarHBondContact O-N 3.41Å; F318-V321 CarbonylContact O-C 3.54Å; F318-V321 PolarHBondContact O-N 3.21Å; F318-N322 HydrophobicContact CD1-CB 3.8Å; F318-N322 HydrophobicContact CE1-CB 3.79Å; F318-N322 WeakPolarHBondContact O-CA 2.74Å; F318-N322 WeakPolarHBondContact O-CB 3.29Å; F318-N322 PolarHBondContact O-N 3.14Å; F318-L362 HydrophobicContact CD2-CD2 3.95Å; F318-L362 HydrophobicContact CE2-CD1 4.5Å; F318-L362 HydrophobicContact CE2-CD2 3.23Å; F318-L362 HydrophobicContact CE2-CG 4.41Å; F318-L362 HydrophobicContact CZ-CD1 4.32Å; F318-L362 HydrophobicContact CZ-CD2 3.76Å
319	K	53.2	Low	55.2	Low	98 Å²	98	58.4 Å²	58.4	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-48.6	178.6	-177.6	175.7	176.7	-171.9	0	112.2	W302 A315 D316 G317 N322 D323	W302-K319 HydrophobicContact CH2-CB 3.53Å; W302-K319 HydrophobicContact CH2-CD 4.3Å; W302-K319 HydrophobicContact CH2-CG 3.75Å; W302-K319 HydrophobicContact CZ2-CB 4.36Å; W302-K319 HydrophobicContact CZ2-CG 4.34Å; W302-K319 HydrophobicContact CZ3-CB 4.09Å; A315-K319 WeakPolarHBondContact O-CA 3.23Å; A315-K319 WeakPolarHBondContact O-CB 3.13Å; A315-K319 PolarHBondContact O-N 3.09Å; D316-K319 PolarHBondContact O-N 3.47Å; G317-K319 VanDerWaalsContact C-N 3.35Å; K319-N322 CarbonylContact O-C 3.58Å; K319-N322 WeakPolarHBondContact O-CA 3.42Å; K319-N322 WeakPolarHBondContact O-CB 3.2Å; K319-N322 PolarHBondContact O-N 2.94Å; K319-D323 WeakPolarHBondContact CE-OD2 3.38Å; K319-D323 WeakPolarHBondContact CG-OD2 3.22Å; K319-D323 WeakPolarHBondContact O-CB 3.39Å; K319-D323 PolarHBondContact O-N 3.23Å
320	L	52.3	Low	53	Low	107 Å²	107	56.6 Å²	56.6	56%	0.56	32%	0.321	S	S	*	.	H	α-helix	trans	-62.4	-46.8	178.4	-78.9	166.1	0	0	0	111.6	D316 G317 N322 D323 A324	D316-L320 VanDerWaalsContact O-CB 3.29Å; D316-L320 WeakPolarHBondContact O-CB 3.36Å; D316-L320 VanDerWaalsContact O-CG 3.23Å; D316-L320 WeakPolarHBondContact O-CG 3.46Å; D316-L320 PolarHBondContact O-N 2.76Å; G317-L320 PolarHBondContact O-N 3.04Å; L320-N322 PolarHBondContact O-N 3.09Å; L320-D323 PolarHBondContact O-N 3.33Å; L320-D323 VanDerWaalsContact O-N 3.08Å; L320-A324 WeakPolarHBondContact O-CB 3.4Å; L320-A324 PolarHBondContact O-N 3.2Å; L320-A324 VanDerWaalsContact O-N 3.09Å
321	V	46.7	Very low	50.7	Low	22 Å²	22	66.1 Å²	66.1	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-61.8	-37.3	174.3	174.4	0	0	0	0	108.7	G317 F318 D323 V357 A361 F365	G317-V321 VanDerWaalsContact O-CB 3.24Å; G317-V321 WeakPolarHBondContact O-CB 3.2Å; G317-V321 WeakPolarHBondContact O-CG2 3.27Å; G317-V321 PolarHBondContact O-N 2.96Å; F318-V321 CarbonylContact O-C 3.54Å; F318-V321 PolarHBondContact O-N 3.21Å; V321-D323 VanDerWaalsContact C-N 3.32Å; V321-V357 VanDerWaalsContact C-CG2 3.49Å; V321-V357 HydrophobicContact CG1-CG1 4.33Å; V321-V357 WeakPolarHBondContact O-CG2 3.45Å; V321-A361 HydrophobicContact CG1-CB 3.95Å; V321-F365 HydrophobicContact CB-CD2 4.31Å; V321-F365 HydrophobicContact CB-CE2 3.96Å; V321-F365 HydrophobicContact CB-CZ 4.46Å; V321-F365 HydrophobicContact CG1-CD2 3.68Å; V321-F365 HydrophobicContact CG1-CE2 3.71Å; V321-F365 HydrophobicContact CG2-CD2 3.73Å; V321-F365 HydrophobicContact CG2-CE1 4.1Å; V321-F365 HydrophobicContact CG2-CE2 2.97Å; V321-F365 HydrophobicContact CG2-CZ 3.17Å
322	N	45.4	Very low	48.7	Very low	6 Å²	6	77.1 Å²	77.1	3%	0.032	40%	0.399	C	S	.	.	H	α-helix	trans	-70.8	-16.1	174.8	-175.6	91.3	0	0	0	114.8	W302 F318 K319 L320 S355 I356 V357	W302-N322 HydrophobicContact CZ2-CB 4.15Å; W302-N322 WeakPolarHBondContact CZ2-ND2 3.32Å; W302-N322 PolarHBondContact NE1-ND2 3.32Å; W302-N322 PolarHBondContact NE1-OD1 2.93Å; W302-N322 VanDerWaalsContact NE1-OD1 3.11Å; F318-N322 HydrophobicContact CD1-CB 3.8Å; F318-N322 HydrophobicContact CE1-CB 3.79Å; F318-N322 WeakPolarHBondContact O-CA 2.74Å; F318-N322 WeakPolarHBondContact O-CB 3.29Å; F318-N322 PolarHBondContact O-N 3.14Å; K319-N322 CarbonylContact O-C 3.58Å; K319-N322 WeakPolarHBondContact O-CA 3.42Å; K319-N322 WeakPolarHBondContact O-CB 3.2Å; K319-N322 PolarHBondContact O-N 2.94Å; L320-N322 PolarHBondContact O-N 3.09Å; N322-S355 CarbonylContact O-C 3.54Å; N322-S355 VanDerWaalsContact O-C 3.29Å; N322-I356 VanDerWaalsContact ND2-CA 3.29Å; N322-I356 WeakPolarHBondContact ND2-CA 3.25Å; N322-I356 CarbonylContact O-C 3.55Å; N322-I356 WeakPolarHBondContact O-CA 3.45Å; N322-I356 PolarHBondContact O-N 3.13Å; N322-I356 WeakPolarHBondContact OD1-CA 3.43Å; N322-I356 VanDerWaalsContact OD1-CG2 3.26Å; N322-I356 WeakPolarHBondContact OD1-CG2 3.46Å; N322-V357 HydrophobicContact CB-CB 4.04Å; N322-V357 HydrophobicContact CB-CG2 4.36Å; N322-V357 WeakPolarHBondContact O-CG2 3.18Å; N322-V357 PolarHBondContact O-N 3.49Å; N322-V357 VanDerWaalsContact O-N 3.1Å; N322-V357 PolarHBondContact OD1-N 2.98Å
323	D	47.9	Very low	46.9	Very low	36 Å²	36	79 Å²	79	19%	0.193	40%	0.399	C	S	.	.	H	α-helix	trans	-94.8	-31.1	176.2	-70.5	-28.5	0	0	0	111.1	K319 L320 V321 V325 S355	K319-D323 WeakPolarHBondContact CE-OD2 3.38Å; K319-D323 WeakPolarHBondContact CG-OD2 3.22Å; K319-D323 WeakPolarHBondContact O-CB 3.39Å; K319-D323 PolarHBondContact O-N 3.23Å; L320-D323 PolarHBondContact O-N 3.33Å; L320-D323 VanDerWaalsContact O-N 3.08Å; V321-D323 VanDerWaalsContact C-N 3.32Å; D323-V325 PolarHBondContact O-N 2.98Å; D323-S355 CarbonylContact C-O 3.01Å; D323-S355 VanDerWaalsContact C-O 3.27Å; D323-S355 WeakPolarHBondContact CA-O 3.18Å; D323-S355 PolarHBondContact O-OG 2.91Å; D323-S355 PolarHBondContact OD1-N 3.41Å
324	A	42.4	Very low	45.8	Very low	42 Å²	42	87 Å²	87	35%	0.347	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.6	-170.5	0	0	0	0	0	115.5	L320 T329	L320-A324 WeakPolarHBondContact O-CB 3.4Å; L320-A324 PolarHBondContact O-N 3.2Å; L320-A324 VanDerWaalsContact O-N 3.09Å; A324-T329 WeakPolarHBondContact O-CB 3.15Å; A324-T329 PolarHBondContact O-N 3.26Å
325	V	39.4	Very low	44.5	Very low	19 Å²	19	86.1 Å²	86.1	12%	0.115	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-22.5	-171.3	-162.4	0	0	0	0	114.7	D323 A327 Q328 V330 V357 P358 A361	D323-V325 PolarHBondContact O-N 2.98Å; V325-A327 PolarHBondContact O-N 3.22Å; V325-Q328 WeakPolarHBondContact O-CA 3.31Å; V325-Q328 PolarHBondContact O-N 2.95Å; V325-V330 HydrophobicContact CB-CG2 4.17Å; V325-V330 HydrophobicContact CG1-CB 4.2Å; V325-V330 HydrophobicContact CG1-CG2 4.16Å; V325-V330 HydrophobicContact CG2-CB 4.29Å; V325-V330 HydrophobicContact CG2-CG2 3.49Å; V325-V330 VanDerWaalsContact CG2-CG2 3.49Å; V325-V357 HydrophobicContact CB-CB 3.97Å; V325-V357 HydrophobicContact CB-CG1 4.1Å; V325-V357 HydrophobicContact CB-CG2 3.15Å; V325-V357 HydrophobicContact CG2-CB 4.11Å; V325-V357 HydrophobicContact CG2-CG1 3.78Å; V325-V357 HydrophobicContact CG2-CG2 3.33Å; V325-P358 HydrophobicContact CB-CG 3.86Å; V325-P358 HydrophobicContact CG1-CG 3.08Å; V325-A361 HydrophobicContact CG2-CB 3.4Å; V325-A361 VanDerWaalsContact CG2-CB 3.4Å
326	E	40.5	Very low	43.3	Very low	96 Å²	96	89.3 Å²	89.3	45%	0.449	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.4	164	-99.5	-175.4	174.6	0	0	108.7	Q328 S355 I356	E326-Q328 PolarHBondContact O-N 3.46Å; E326-S355 VanDerWaalsContact CB-C 3.48Å; E326-S355 WeakPolarHBondContact CB-O 3.2Å; E326-S355 WeakPolarHBondContact OE2-CA 3.42Å; E326-S355 WeakPolarHBondContact OE2-CB 3.38Å; E326-I356 WeakPolarHBondContact CA-O 3.46Å; E326-I356 WeakPolarHBondContact CB-O 3.42Å; E326-I356 VanDerWaalsContact CG-CA 3.49Å; E326-I356 HydrophobicContact CG-CB 3.56Å; E326-I356 HydrophobicContact CG-CG1 4.35Å; E326-I356 WeakPolarHBondContact CG-O 3.46Å; E326-I356 PolarHBondContact N-O 2.81Å; E326-I356 WeakPolarHBondContact OE1-CB 3.38Å; E326-I356 WeakPolarHBondContact OE1-CD1 3.47Å; E326-I356 WeakPolarHBondContact OE1-CG1 3.41Å; E326-I356 PolarHBondContact OE2-N 2.97Å
327	A	46	Very low	42.5	Very low	53 Å²	53	91.4 Å²	91.4	44%	0.438	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	1.7	168.6	0	0	0	0	0	113.3	V325 T329	V325-A327 PolarHBondContact O-N 3.22Å; A327-T329 WeakPolarHBondContact CB-OG1 3.28Å; A327-T329 PolarHBondContact O-N 2.92Å; A327-T329 PolarHBondContact O-OG1 2.92Å
328	Q	39.1	Very low	41.9	Very low	150 Å²	150	97.7 Å²	97.7	70%	0.701	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	22.2	-177.7	-60.7	-168.8	-7.8	0	0	114	V325 E326 V330	V325-Q328 WeakPolarHBondContact O-CA 3.31Å; V325-Q328 PolarHBondContact O-N 2.95Å; E326-Q328 PolarHBondContact O-N 3.46Å; Q328-V330 PolarHBondContact O-N 3.48Å
329	T	40.1	Very low	41.3	Very low	86 Å²	86	102.4 Å²	102.4	53%	0.528	49%	0.487	S	S	.	.			trans	-77.1	-11.8	-170.9	-46.5	0	0	0	0	111.2	A324 A327 R331	A324-T329 WeakPolarHBondContact O-CB 3.15Å; A324-T329 PolarHBondContact O-N 3.26Å; A327-T329 WeakPolarHBondContact CB-OG1 3.28Å; A327-T329 PolarHBondContact O-N 2.92Å; A327-T329 PolarHBondContact O-OG1 2.92Å; T329-R331 VanDerWaalsContact C-N 3.31Å; T329-R331 PolarHBondContact O-N 3Å
330	V	34.2	Very low	40.6	Very low	53 Å²	53	102.5 Å²	102.5	32%	0.321	49%	0.492	S	S	.	.			trans	-84.7	70.8	-179	-172.2	0	0	0	0	111.3	V325 Q328 F333	V325-V330 HydrophobicContact CB-CG2 4.17Å; V325-V330 HydrophobicContact CG1-CB 4.2Å; V325-V330 HydrophobicContact CG1-CG2 4.16Å; V325-V330 HydrophobicContact CG2-CB 4.29Å; V325-V330 HydrophobicContact CG2-CG2 3.49Å; V325-V330 VanDerWaalsContact CG2-CG2 3.49Å; Q328-V330 PolarHBondContact O-N 3.48Å; V330-F333 HydrophobicContact CG1-CD2 4.17Å; V330-F333 HydrophobicContact CG1-CE2 3.28Å; V330-F333 HydrophobicContact CG1-CZ 3.75Å
331	R	32.5	Very low	40	Very low	202 Å²	202	105.3 Å²	105.3	76%	0.762	50%	0.5	S	S	*	.			trans	-111.6	107.1	164.9	-79.6	-176.4	174.9	178.4	1.2	110.2	T329	T329-R331 VanDerWaalsContact C-N 3.31Å; T329-R331 PolarHBondContact O-N 3Å
332	R	34.7	Very low	39.6	Very low	232 Å²	232	112.3 Å²	112.3	88%	0.875	53%	0.525	S	S	*	.			trans	78.8	89.2	163.1	-62.4	179.5	170.6	174.7	-3.1	117.9	R334	R332-R334 PolarHBondContact O-N 3.28Å
333	F	33.5	Very low	39.3	Very low	120 Å²	120	116 Å²	116	53%	0.526	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	102.6	173	-78.7	-86.6	0	0	0	115	V330 F364	V330-F333 HydrophobicContact CG1-CD2 4.17Å; V330-F333 HydrophobicContact CG1-CE2 3.28Å; V330-F333 HydrophobicContact CG1-CZ 3.75Å; F333-F364 HydrophobicContact CD1-CD2 4.24Å; F333-F364 AromaticContact CD1-CE2 3.62Å; F333-F364 HydrophobicContact CD1-CE2 3.62Å; F333-F364 HydrophobicContact CD1-CZ 4.18Å; F333-F364 AromaticContact CE1-CD2 3.6Å; F333-F364 HydrophobicContact CE1-CD2 3.6Å; F333-F364 HydrophobicContact CE1-CE1 4.26Å; F333-F364 AromaticContact CE1-CE2 3.17Å; F333-F364 HydrophobicContact CE1-CE2 3.17Å; F333-F364 HydrophobicContact CE1-CG 4.28Å; F333-F364 AromaticContact CE1-CZ 3.53Å; F333-F364 HydrophobicContact CE1-CZ 3.53Å; F333-F364 HydrophobicContact CE2-CD2 4.45Å; F333-F364 AromaticContact CZ-CD2 3.72Å; F333-F364 HydrophobicContact CZ-CD2 3.72Å; F333-F364 AromaticContact CZ-CE2 3.81Å; F333-F364 HydrophobicContact CZ-CE2 3.81Å; F333-F364 HydrophobicContact CZ-CG 4.15Å; F333-F364 HydrophobicContact CZ-CZ 4.32Å
334	R	37.6	Very low	38.7	Very low	239 Å²	239	120.2 Å²	120.2	90%	0.902	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.4	-37.4	142.6	-141.7	179.3	-166.4	-170.8	4.2	112.6	R332	R332-R334 PolarHBondContact O-N 3.28Å
335	G	38.5	Very low	38.5	Very low	64 Å²	64	127.3 Å²	127.3	66%	0.66	59%	0.587	S	S	*	*	S	Bend	trans	-81.1	-24.2	180	0	0	0	0	0	115	R337	G335-R337 VanDerWaalsContact C-N 3.34Å; G335-R337 PolarHBondContact O-N 3.34Å
336	E	40.3	Very low	38.1	Very low	76 Å²	76	129.5 Å²	129.5	36%	0.355	60%	0.603	S	S	.	*	H	α-helix	trans	-79.6	-11.4	-173	-67	-167.6	147.4	0	0	114.8	E338 K339 L340	E336-E338 VanDerWaalsContact C-N 3.25Å; E336-E338 PolarHBondContact O-N 3.34Å; E336-K339 PolarHBondContact O-N 2.88Å; E336-L340 VanDerWaalsContact O-CB 3.27Å; E336-L340 WeakPolarHBondContact O-CB 3.32Å; E336-L340 PolarHBondContact O-N 2.96Å
337	R	40.5	Very low	37.9	Very low	162 Å²	162	132.3 Å²	132.3	61%	0.611	61%	0.614	S	S	*	*	H	α-helix	trans	-62.7	-33.2	178.4	-157.6	-173.4	-173.9	179.4	9.6	112.5	G335 Y368	G335-R337 VanDerWaalsContact C-N 3.34Å; G335-R337 PolarHBondContact O-N 3.34Å; R337-Y368 PolarHBondContact NE-OH 2.82Å; R337-Y368 PolarHBondContact NH2-OH 2.95Å
338	E	41.2	Very low	37.1	Very low	165 Å²	165	139.1 Å²	139.1	77%	0.771	64%	0.637	S	S	*	*	H	α-helix	trans	-83.9	-33.6	174.2	-66.9	-158.8	149.9	0	0	112.2	E336 K341 Y342	E336-E338 VanDerWaalsContact C-N 3.25Å; E336-E338 PolarHBondContact O-N 3.34Å; E338-K341 PolarHBondContact O-N 3.45Å; E338-Y342 WeakPolarHBondContact O-CB 3.31Å; E338-Y342 PolarHBondContact O-N 2.94Å
339	K	41.4	Very low	36.7	Very low	122 Å²	122	141.7 Å²	141.7	53%	0.53	64%	0.64	S	S	.	*	H	α-helix	trans	-67	-42.1	177.4	-147.8	-178.4	-179.4	-166.7	0	111.8	E336 K341 Y342 E343	E336-K339 PolarHBondContact O-N 2.88Å; K339-K341 VanDerWaalsContact C-N 3.33Å; K339-K341 PolarHBondContact O-N 3.11Å; K339-Y342 CarbonylContact O-C 3.59Å; K339-Y342 WeakPolarHBondContact O-CB 3.37Å; K339-Y342 PolarHBondContact O-N 2.86Å; K339-Y342 VanDerWaalsContact O-N 3.13Å; K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.42Å; K339-E343 PolarHBondContact O-N 2.87Å
340	L	38.3	Very low	36.2	Very low	101 Å²	101	147.1 Å²	147.1	53%	0.529	66%	0.657	S	S	.	*	H	α-helix	trans	-63.6	-38.3	174.5	-159	80.8	0	0	0	111.4	E336 Y342 E343 L344	E336-L340 VanDerWaalsContact O-CB 3.27Å; E336-L340 WeakPolarHBondContact O-CB 3.32Å; E336-L340 PolarHBondContact O-N 2.96Å; L340-Y342 VanDerWaalsContact C-N 3.29Å; L340-Y342 PolarHBondContact O-N 3.17Å; L340-E343 PolarHBondContact O-N 3.47Å; L340-L344 HydrophobicContact CD2-CD1 4.48Å; L340-L344 HydrophobicContact CG-CD1 4.17Å; L340-L344 VanDerWaalsContact O-CB 3.24Å; L340-L344 WeakPolarHBondContact O-CB 3.33Å; L340-L344 WeakPolarHBondContact O-CD1 2.96Å; L340-L344 WeakPolarHBondContact O-CG 3.08Å; L340-L344 PolarHBondContact O-N 3.16Å
341	K	40.3	Very low	35.8	Very low	166 Å²	166	147.6 Å²	147.6	72%	0.722	67%	0.672	S	S	*	*	H	α-helix	trans	-69.1	-27.1	175.3	-154.9	179.9	-174.4	-175.9	0	112.6	E338 K339	E338-K341 PolarHBondContact O-N 3.45Å; K339-K341 VanDerWaalsContact C-N 3.33Å; K339-K341 PolarHBondContact O-N 3.11Å
342	Y	37.9	Very low	35.7	Very low	168 Å²	168	145.7 Å²	145.7	66%	0.659	68%	0.677	S	S	*	*	H	α-helix	trans	-82	-41	174.5	-175.6	-92.8	0	0	0	112.2	E338 K339 L340 K345 S346	E338-Y342 WeakPolarHBondContact O-CB 3.31Å; E338-Y342 PolarHBondContact O-N 2.94Å; K339-Y342 CarbonylContact O-C 3.59Å; K339-Y342 WeakPolarHBondContact O-CB 3.37Å; K339-Y342 PolarHBondContact O-N 2.86Å; K339-Y342 VanDerWaalsContact O-N 3.13Å; L340-Y342 VanDerWaalsContact C-N 3.29Å; L340-Y342 PolarHBondContact O-N 3.17Å; Y342-K345 PolarHBondContact O-N 3.39Å; Y342-S346 WeakPolarHBondContact O-CB 3.38Å; Y342-S346 PolarHBondContact O-N 3.18Å; Y342-S346 PolarHBondContact O-OG 2.79Å
343	E	38.4	Very low	35.7	Very low	83 Å²	83	141.8 Å²	141.8	39%	0.388	67%	0.674	S	S	.	*	H	α-helix	trans	-68.7	-40.6	177.1	-75.5	-172.1	161.4	0	0	112.2	K339 L340 K345 S346 K347	K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.42Å; K339-E343 PolarHBondContact O-N 2.87Å; L340-E343 PolarHBondContact O-N 3.47Å; E343-K345 PolarHBondContact O-N 2.86Å; E343-K345 VanDerWaalsContact O-N 3.15Å; E343-S346 WeakPolarHBondContact CA-OG 3.46Å; E343-S346 PolarHBondContact O-N 3.48Å; E343-S346 VanDerWaalsContact O-N 3.07Å; E343-S346 PolarHBondContact O-OG 2.84Å; E343-K347 PolarHBondContact O-N 2.78Å
344	L	36.8	Very low	35.5	Very low	125 Å²	125	139.3 Å²	139.3	65%	0.654	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-17.4	173.4	-75.8	166.2	0	0	0	113.9	L340	L340-L344 HydrophobicContact CD2-CD1 4.48Å; L340-L344 HydrophobicContact CG-CD1 4.17Å; L340-L344 VanDerWaalsContact O-CB 3.24Å; L340-L344 WeakPolarHBondContact O-CB 3.33Å; L340-L344 WeakPolarHBondContact O-CD1 2.96Å; L340-L344 WeakPolarHBondContact O-CG 3.08Å; L340-L344 PolarHBondContact O-N 3.16Å
345	K	36.5	Very low	35.2	Very low	192 Å²	192	129.6 Å²	129.6	84%	0.835	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-11.3	174.9	-95.7	-173.5	173.1	-171.7	0	114	Y342 E343	Y342-K345 PolarHBondContact O-N 3.39Å; E343-K345 PolarHBondContact O-N 2.86Å; E343-K345 VanDerWaalsContact O-N 3.15Å
346	S	31.8	Very low	34.8	Very low	65 Å²	65	130.5 Å²	130.5	46%	0.455	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	-7.2	-168.2	54.7	0	0	0	0	115.5	Y342 E343	Y342-S346 WeakPolarHBondContact O-CB 3.38Å; Y342-S346 PolarHBondContact O-N 3.18Å; Y342-S346 PolarHBondContact O-OG 2.79Å; E343-S346 WeakPolarHBondContact CA-OG 3.46Å; E343-S346 PolarHBondContact O-N 3.48Å; E343-S346 VanDerWaalsContact O-N 3.07Å; E343-S346 PolarHBondContact O-OG 2.84Å
347	K	36	Very low	34.5	Very low	155 Å²	155	127.6 Å²	127.6	67%	0.674	63%	0.627	S	S	*	*			trans	-121.8	51.3	-174.4	-67.6	-168.7	175.7	178.2	0	114.9	E343 R349	E343-K347 PolarHBondContact O-N 2.78Å; K347-R349 PolarHBondContact O-N 2.81Å
348	E	30.3	Very low	34	Very low	196 Å²	196	122.4 Å²	122.4	92%	0.916	61%	0.614	S	S	*	*			trans	-63.4	17.8	173.7	-119	177.6	-171	0	0	115.9
349	R	29.1	Very low	33.6	Very low	203 Å²	203	117.8 Å²	117.8	77%	0.766	60%	0.597	S	S	*	*			trans	-152.8	131.1	-174.5	-59.7	-173.8	176.2	-179.8	-2.6	114.7	K347	K347-R349 PolarHBondContact O-N 2.81Å
350	F	29.8	Very low	33.1	Very low	200 Å²	200	118.2 Å²	118.2	88%	0.877	60%	0.601	S	S	*	*			trans	70.9	133.1	168.1	-49.1	-78.5	0	0	0	114.6
351	G	26.6	Very low	32.9	Very low	63 Å²	63	113.8 Å²	113.8	65%	0.649	58%	0.579	S	S	*	*			cis	120.9	115.8	23.1	0	0	0	0	0	108.3
352	D	29.3	Very low	32.6	Very low	163 Å²	163	106.3 Å²	106.3	87%	0.872	55%	0.547	S	S	*	.			trans	67.1	80.4	158.9	-56.9	-19.7	0	0	0	122.2
353	D	35.1	Very low	32.4	Very low	150 Å²	150	102.1 Å²	102.1	80%	0.802	54%	0.536	S	S	*	.			trans	-176.4	116	145.1	37.7	13.9	0	0	0	112.1
354	G	29.2	Very low	32.4	Very low	67 Å²	67	100.8 Å²	100.8	69%	0.691	53%	0.528	S	S	*	.			trans	-83.3	151.1	-178.2	0	0	0	0	0	114.9
355	S	32	Very low	32.5	Very low	36 Å²	36	99.5 Å²	99.5	25%	0.252	52%	0.518	S	S	.	.			trans	-172.5	105.8	162.4	52	0	0	0	0	116.7	N322 D323 E326	N322-S355 CarbonylContact O-C 3.54Å; N322-S355 VanDerWaalsContact O-C 3.29Å; D323-S355 CarbonylContact C-O 3.01Å; D323-S355 VanDerWaalsContact C-O 3.27Å; D323-S355 WeakPolarHBondContact CA-O 3.18Å; D323-S355 PolarHBondContact O-OG 2.91Å; D323-S355 PolarHBondContact OD1-N 3.41Å; E326-S355 VanDerWaalsContact CB-C 3.48Å; E326-S355 WeakPolarHBondContact CB-O 3.2Å; E326-S355 WeakPolarHBondContact OE2-CA 3.42Å; E326-S355 WeakPolarHBondContact OE2-CB 3.38Å
356	I	30.2	Very low	32.7	Very low	83 Å²	83	91 Å²	91	43%	0.426	48%	0.483	S	S	.	.			trans	-23.3	162.2	172.8	-32.7	172.7	0	0	0	122.7	N322 E326	N322-I356 VanDerWaalsContact ND2-CA 3.29Å; N322-I356 WeakPolarHBondContact ND2-CA 3.25Å; N322-I356 CarbonylContact O-C 3.55Å; N322-I356 WeakPolarHBondContact O-CA 3.45Å; N322-I356 PolarHBondContact O-N 3.13Å; N322-I356 WeakPolarHBondContact OD1-CA 3.43Å; N322-I356 VanDerWaalsContact OD1-CG2 3.26Å; N322-I356 WeakPolarHBondContact OD1-CG2 3.46Å; E326-I356 WeakPolarHBondContact CA-O 3.46Å; E326-I356 WeakPolarHBondContact CB-O 3.42Å; E326-I356 VanDerWaalsContact CG-CA 3.49Å; E326-I356 HydrophobicContact CG-CB 3.56Å; E326-I356 HydrophobicContact CG-CG1 4.35Å; E326-I356 WeakPolarHBondContact CG-O 3.46Å; E326-I356 PolarHBondContact N-O 2.81Å; E326-I356 WeakPolarHBondContact OE1-CB 3.38Å; E326-I356 WeakPolarHBondContact OE1-CD1 3.47Å; E326-I356 WeakPolarHBondContact OE1-CG1 3.41Å; E326-I356 PolarHBondContact OE2-N 2.97Å
357	V	33.2	Very low	33.1	Very low	15 Å²	15	94.5 Å²	94.5	9%	0.091	49%	0.487	C	S	.	.			trans	-134.3	141	-179.2	150.1	0	0	0	0	117.5	V321 N322 V325 A361	V321-V357 VanDerWaalsContact C-CG2 3.49Å; V321-V357 HydrophobicContact CG1-CG1 4.33Å; V321-V357 WeakPolarHBondContact O-CG2 3.45Å; N322-V357 HydrophobicContact CB-CB 4.04Å; N322-V357 HydrophobicContact CB-CG2 4.36Å; N322-V357 WeakPolarHBondContact O-CG2 3.18Å; N322-V357 PolarHBondContact O-N 3.49Å; N322-V357 VanDerWaalsContact O-N 3.1Å; N322-V357 PolarHBondContact OD1-N 2.98Å; V325-V357 HydrophobicContact CB-CB 3.97Å; V325-V357 HydrophobicContact CB-CG1 4.1Å; V325-V357 HydrophobicContact CB-CG2 3.15Å; V325-V357 HydrophobicContact CG2-CB 4.11Å; V325-V357 HydrophobicContact CG2-CG1 3.78Å; V325-V357 HydrophobicContact CG2-CG2 3.33Å; V357-A361 HydrophobicContact CG1-CB 3.72Å
358	P	31.3	Very low	33.5	Very low	52 Å²	52	90.6 Å²	90.6	34%	0.338	47%	0.468	S	S	.	.			trans	-83.2	160.4	176.9	38.4	-28.2	0	0	0	112	V325 E360 A361	V325-P358 HydrophobicContact CB-CG 3.86Å; V325-P358 HydrophobicContact CG1-CG 3.08Å; P358-E360 VanDerWaalsContact CB-OE2 3.28Å; P358-E360 WeakPolarHBondContact CB-OE2 3.31Å; P358-E360 WeakPolarHBondContact CG-OE2 3.33Å; P358-E360 PolarHBondContact O-N 2.97Å; P358-A361 PolarHBondContact O-N 2.92Å; P358-A361 VanDerWaalsContact O-N 3.12Å
359	V	31.2	Very low	34.2	Very low	68 Å²	68	82.9 Å²	82.9	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-48.5	-26.6	-173.6	174.8	0	0	0	0	113.3	A361 L362 L363	V359-A361 PolarHBondContact O-N 3.3Å; V359-L362 PolarHBondContact O-N 3.42Å; V359-L363 HydrophobicContact CG1-CD1 3.96Å; V359-L363 HydrophobicContact CG1-CG 4.27Å; V359-L363 VanDerWaalsContact O-CB 3.32Å; V359-L363 WeakPolarHBondContact O-CB 3.46Å; V359-L363 VanDerWaalsContact O-CG 3.31Å; V359-L363 WeakPolarHBondContact O-CG 3.23Å; V359-L363 PolarHBondContact O-N 3.42Å
360	E	32.5	Very low	34.8	Very low	131 Å²	131	74.6 Å²	74.6	61%	0.612	40%	0.402	S	S	*	.	H	α-helix	trans	-67.8	-31.1	-179.6	-61.3	86.5	172.3	0	0	114.5	P358 L363 F364	P358-E360 VanDerWaalsContact CB-OE2 3.28Å; P358-E360 WeakPolarHBondContact CB-OE2 3.31Å; P358-E360 WeakPolarHBondContact CG-OE2 3.33Å; P358-E360 PolarHBondContact O-N 2.97Å; E360-L363 WeakPolarHBondContact O-CB 3.31Å; E360-F364 PolarHBondContact O-N 3.17Å
361	A	33.1	Very low	35.3	Very low	8 Å²	8	69 Å²	69	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-85.6	-27.9	175.6	0	0	0	0	0	112.3	V321 V325 V357 P358 V359 L363 F364 F365	V321-A361 HydrophobicContact CG1-CB 3.95Å; V325-A361 HydrophobicContact CG2-CB 3.4Å; V325-A361 VanDerWaalsContact CG2-CB 3.4Å; V357-A361 HydrophobicContact CG1-CB 3.72Å; P358-A361 PolarHBondContact O-N 2.92Å; P358-A361 VanDerWaalsContact O-N 3.12Å; V359-A361 PolarHBondContact O-N 3.3Å; A361-L363 VanDerWaalsContact C-N 3.33Å; A361-F364 CarbonylContact O-C 3.56Å; A361-F364 WeakPolarHBondContact O-CA 3.36Å; A361-F364 VanDerWaalsContact O-CB 3.31Å; A361-F364 WeakPolarHBondContact O-CB 3.11Å; A361-F364 PolarHBondContact O-N 3.49Å; A361-F364 VanDerWaalsContact O-N 3.09Å; A361-F365 WeakPolarHBondContact O-CD2 3.41Å; A361-F365 PolarHBondContact O-N 3.43Å
362	L	33.4	Very low	36	Very low	10 Å²	10	68.5 Å²	68.5	5%	0.052	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-40.9	165.3	-72.6	165.6	0	0	0	111.3	I295 A299 F318 V359 F364 F365 A366	I295-L362 HydrophobicContact CG2-CB 3.52Å; I295-L362 HydrophobicContact CG2-CD1 3.95Å; I295-L362 HydrophobicContact CG2-CD2 4.23Å; I295-L362 HydrophobicContact CG2-CG 4.11Å; A299-L362 HydrophobicContact CB-CD1 3.98Å; F318-L362 HydrophobicContact CD2-CD2 3.95Å; F318-L362 HydrophobicContact CE2-CD1 4.5Å; F318-L362 HydrophobicContact CE2-CD2 3.23Å; F318-L362 HydrophobicContact CE2-CG 4.41Å; F318-L362 HydrophobicContact CZ-CD1 4.32Å; F318-L362 HydrophobicContact CZ-CD2 3.76Å; V359-L362 PolarHBondContact O-N 3.42Å; L362-F364 VanDerWaalsContact C-N 3.26Å; L362-F364 PolarHBondContact O-N 2.54Å; L362-F365 PolarHBondContact O-N 3.39Å; L362-A366 WeakPolarHBondContact O-CB 3.42Å; L362-A366 PolarHBondContact O-N 3.04Å
363	L	35.5	Very low	36.6	Very low	80 Å²	80	61.5 Å²	61.5	42%	0.419	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-34.5	167.6	-80.5	165.4	0	0	0	111.5	V359 E360 A361 R367	V359-L363 HydrophobicContact CG1-CD1 3.96Å; V359-L363 HydrophobicContact CG1-CG 4.27Å; V359-L363 VanDerWaalsContact O-CB 3.32Å; V359-L363 WeakPolarHBondContact O-CB 3.46Å; V359-L363 VanDerWaalsContact O-CG 3.31Å; V359-L363 WeakPolarHBondContact O-CG 3.23Å; V359-L363 PolarHBondContact O-N 3.42Å; E360-L363 WeakPolarHBondContact O-CB 3.31Å; A361-L363 VanDerWaalsContact C-N 3.33Å; L363-R367 WeakPolarHBondContact O-CB 3.43Å; L363-R367 WeakPolarHBondContact O-CG 3.48Å; L363-R367 PolarHBondContact O-N 3.11Å
364	F	38.6	Very low	36.8	Very low	54 Å²	54	54.4 Å²	54.4	24%	0.237	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-39.3	173.8	-178.4	-93.1	0	0	0	112.2	F333 E360 A361 L362 R367 Y368	F333-F364 HydrophobicContact CD1-CD2 4.24Å; F333-F364 AromaticContact CD1-CE2 3.62Å; F333-F364 HydrophobicContact CD1-CE2 3.62Å; F333-F364 HydrophobicContact CD1-CZ 4.18Å; F333-F364 AromaticContact CE1-CD2 3.6Å; F333-F364 HydrophobicContact CE1-CD2 3.6Å; F333-F364 HydrophobicContact CE1-CE1 4.26Å; F333-F364 AromaticContact CE1-CE2 3.17Å; F333-F364 HydrophobicContact CE1-CE2 3.17Å; F333-F364 HydrophobicContact CE1-CG 4.28Å; F333-F364 AromaticContact CE1-CZ 3.53Å; F333-F364 HydrophobicContact CE1-CZ 3.53Å; F333-F364 HydrophobicContact CE2-CD2 4.45Å; F333-F364 AromaticContact CZ-CD2 3.72Å; F333-F364 HydrophobicContact CZ-CD2 3.72Å; F333-F364 AromaticContact CZ-CE2 3.81Å; F333-F364 HydrophobicContact CZ-CE2 3.81Å; F333-F364 HydrophobicContact CZ-CG 4.15Å; F333-F364 HydrophobicContact CZ-CZ 4.32Å; E360-F364 PolarHBondContact O-N 3.17Å; A361-F364 CarbonylContact O-C 3.56Å; A361-F364 WeakPolarHBondContact O-CA 3.36Å; A361-F364 VanDerWaalsContact O-CB 3.31Å; A361-F364 WeakPolarHBondContact O-CB 3.11Å; A361-F364 PolarHBondContact O-N 3.49Å; A361-F364 VanDerWaalsContact O-N 3.09Å; L362-F364 VanDerWaalsContact C-N 3.26Å; L362-F364 PolarHBondContact O-N 2.54Å; F364-R367 CarbonylContact O-C 3.55Å; F364-R367 PolarHBondContact O-N 2.9Å; F364-Y368 AromaticContact CD1-CD2 3.95Å; F364-Y368 HydrophobicContact CD1-CD2 3.95Å; F364-Y368 HydrophobicContact CD1-CE2 4.29Å; F364-Y368 HydrophobicContact CD2-CD2 4.21Å; F364-Y368 HydrophobicContact CD2-CE2 4.2Å; F364-Y368 AromaticContact CE1-CD2 3.56Å; F364-Y368 HydrophobicContact CE1-CD2 3.56Å; F364-Y368 AromaticContact CE1-CE2 3.52Å; F364-Y368 HydrophobicContact CE1-CE2 3.52Å; F364-Y368 HydrophobicContact CE1-CG 4.36Å; F364-Y368 AromaticContact CE2-CD2 3.86Å; F364-Y368 HydrophobicContact CE2-CD2 3.86Å; F364-Y368 AromaticContact CE2-CE2 3.41Å; F364-Y368 HydrophobicContact CE2-CE2 3.41Å; F364-Y368 VanDerWaalsContact CE2-CE2 3.41Å; F364-Y368 HydrophobicContact CG-CD2 4.28Å; F364-Y368 AromaticContact CZ-CD2 3.55Å; F364-Y368 HydrophobicContact CZ-CD2 3.55Å; F364-Y368 AromaticContact CZ-CE2 3.03Å; F364-Y368 HydrophobicContact CZ-CE2 3.03Å; F364-Y368 AromaticContact CZ-CZ 3.77Å; F364-Y368 WeakPolarHBondContact O-CB 3.47Å; F364-Y368 PolarHBondContact O-N 3.32Å
365	F	38.8	Very low	37.2	Very low	98 Å²	98	54.8 Å²	54.8	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-42.2	174.4	-92.6	-96.7	0	0	0	112.5	V321 A361 L362 R367 Y368 H369	V321-F365 HydrophobicContact CB-CD2 4.31Å; V321-F365 HydrophobicContact CB-CE2 3.96Å; V321-F365 HydrophobicContact CB-CZ 4.46Å; V321-F365 HydrophobicContact CG1-CD2 3.68Å; V321-F365 HydrophobicContact CG1-CE2 3.71Å; V321-F365 HydrophobicContact CG2-CD2 3.73Å; V321-F365 HydrophobicContact CG2-CE1 4.1Å; V321-F365 HydrophobicContact CG2-CE2 2.97Å; V321-F365 HydrophobicContact CG2-CZ 3.17Å; A361-F365 WeakPolarHBondContact O-CD2 3.41Å; A361-F365 PolarHBondContact O-N 3.43Å; L362-F365 PolarHBondContact O-N 3.39Å; F365-R367 VanDerWaalsContact C-N 3.34Å; F365-R367 PolarHBondContact O-N 3.08Å; F365-Y368 PolarHBondContact O-N 3.29Å; F365-H369 VanDerWaalsContact O-CB 3.26Å; F365-H369 WeakPolarHBondContact O-CB 3.4Å; F365-H369 PolarHBondContact O-N 3.29Å
366	A	40.7	Very low	37.6	Very low	14 Å²	14	57.6 Å²	57.6	12%	0.116	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-47.8	169.4	0	0	0	0	0	110	I295 L362 Y368 H369 H370	I295-A366 HydrophobicContact CD1-CB 4.27Å; I295-A366 HydrophobicContact CG1-CB 4.04Å; L362-A366 WeakPolarHBondContact O-CB 3.42Å; L362-A366 PolarHBondContact O-N 3.04Å; A366-Y368 VanDerWaalsContact C-N 3.32Å; A366-Y368 PolarHBondContact O-N 2.49Å; A366-H369 PolarHBondContact O-N 3.37Å; A366-H370 VanDerWaalsContact O-CB 3.24Å; A366-H370 WeakPolarHBondContact O-CB 3.36Å; A366-H370 PolarHBondContact O-CD2 3.41Å; A366-H370 PolarHBondContact O-N 2.99Å
367	R	40.1	Very low	38	Very low	139 Å²	139	56.7 Å²	56.7	53%	0.525	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-29.1	176.1	-74.7	174.4	173.7	-172.3	-1.4	113.5	L363 F364 F365 K371 Y390	L363-R367 WeakPolarHBondContact O-CB 3.43Å; L363-R367 WeakPolarHBondContact O-CG 3.48Å; L363-R367 PolarHBondContact O-N 3.11Å; F364-R367 CarbonylContact O-C 3.55Å; F364-R367 PolarHBondContact O-N 2.9Å; F365-R367 VanDerWaalsContact C-N 3.34Å; F365-R367 PolarHBondContact O-N 3.08Å; R367-K371 WeakPolarHBondContact O-CB 3.34Å; R367-K371 VanDerWaalsContact O-CG 3.29Å; R367-K371 WeakPolarHBondContact O-CG 3.37Å; R367-K371 PolarHBondContact O-N 3.36Å; R367-Y390 WeakPolarHBondContact CG-OH 3.43Å
368	Y	43.2	Very low	38.3	Very low	72 Å²	72	56.2 Å²	56.2	28%	0.282	28%	0.276	S	S	.	.	H	α-helix	trans	-79	-38.1	175	-108	-101	0	0	0	112.6	R337 F364 F365 A366 K371 A372	R337-Y368 PolarHBondContact NE-OH 2.82Å; R337-Y368 PolarHBondContact NH2-OH 2.95Å; F364-Y368 AromaticContact CD1-CD2 3.95Å; F364-Y368 HydrophobicContact CD1-CD2 3.95Å; F364-Y368 HydrophobicContact CD1-CE2 4.29Å; F364-Y368 HydrophobicContact CD2-CD2 4.21Å; F364-Y368 HydrophobicContact CD2-CE2 4.2Å; F364-Y368 AromaticContact CE1-CD2 3.56Å; F364-Y368 HydrophobicContact CE1-CD2 3.56Å; F364-Y368 AromaticContact CE1-CE2 3.52Å; F364-Y368 HydrophobicContact CE1-CE2 3.52Å; F364-Y368 HydrophobicContact CE1-CG 4.36Å; F364-Y368 AromaticContact CE2-CD2 3.86Å; F364-Y368 HydrophobicContact CE2-CD2 3.86Å; F364-Y368 AromaticContact CE2-CE2 3.41Å; F364-Y368 HydrophobicContact CE2-CE2 3.41Å; F364-Y368 VanDerWaalsContact CE2-CE2 3.41Å; F364-Y368 HydrophobicContact CG-CD2 4.28Å; F364-Y368 AromaticContact CZ-CD2 3.55Å; F364-Y368 HydrophobicContact CZ-CD2 3.55Å; F364-Y368 AromaticContact CZ-CE2 3.03Å; F364-Y368 HydrophobicContact CZ-CE2 3.03Å; F364-Y368 AromaticContact CZ-CZ 3.77Å; F364-Y368 WeakPolarHBondContact O-CB 3.47Å; F364-Y368 PolarHBondContact O-N 3.32Å; F365-Y368 PolarHBondContact O-N 3.29Å; A366-Y368 VanDerWaalsContact C-N 3.32Å; A366-Y368 PolarHBondContact O-N 2.49Å; Y368-K371 CarbonylContact O-C 2.64Å; Y368-K371 PolarHBondContact O-N 3.11Å; Y368-A372 WeakPolarHBondContact O-CB 3.34Å; Y368-A372 PolarHBondContact O-N 2.99Å
369	H	44.7	Very low	38.8	Very low	35 Å²	35	62 Å²	62	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-47.5	171.7	-176.2	41.3	0	0	0	109.9	F365 A366 K371 A372 V373	F365-H369 VanDerWaalsContact O-CB 3.26Å; F365-H369 WeakPolarHBondContact O-CB 3.4Å; F365-H369 PolarHBondContact O-N 3.29Å; A366-H369 PolarHBondContact O-N 3.37Å; H369-K371 PolarHBondContact O-N 2.84Å; H369-A372 CarbonylContact O-C 3.19Å; H369-A372 WeakPolarHBondContact O-CA 3.38Å; H369-A372 WeakPolarHBondContact O-CB 3.17Å; H369-A372 PolarHBondContact O-N 3.22Å; H369-V373 WeakPolarHBondContact O-CG2 3.43Å; H369-V373 PolarHBondContact O-N 3.41Å
370	H	43.2	Very low	39.5	Very low	28 Å²	28	66.8 Å²	66.8	13%	0.13	31%	0.307	C	S	.	.	H	α-helix	trans	-53.3	-52	166.7	-86.8	-114.1	0	0	0	110.1	L292 A366 A372 V373 I374 Y390 Y393	L292-H370 WeakPolarHBondContact CD1-NE2 3.47Å; L292-H370 WeakPolarHBondContact CD2-NE2 3.38Å; A366-H370 VanDerWaalsContact O-CB 3.24Å; A366-H370 WeakPolarHBondContact O-CB 3.36Å; A366-H370 PolarHBondContact O-CD2 3.41Å; A366-H370 PolarHBondContact O-N 2.99Å; H370-A372 PolarHBondContact O-N 3.36Å; H370-V373 PolarHBondContact O-N 3.35Å; H370-I374 HydrophobicContact CB-CD1 4.09Å; H370-I374 WeakPolarHBondContact O-CB 3.5Å; H370-I374 VanDerWaalsContact O-CD1 3.32Å; H370-I374 WeakPolarHBondContact O-CD1 3.39Å; H370-I374 WeakPolarHBondContact O-CG1 3.32Å; H370-I374 PolarHBondContact O-N 3.2Å; H370-Y390 HydrophobicContact CB-CE2 4.42Å; H370-Y393 AromaticContact ND1-CE1 4Å
371	K	39.7	Very low	40.1	Very low	83 Å²	83	70 Å²	70	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-33.5	175.6	-89	-179.5	174.6	175	0	113.4	R367 Y368 H369 L375 Y390	R367-K371 WeakPolarHBondContact O-CB 3.34Å; R367-K371 VanDerWaalsContact O-CG 3.29Å; R367-K371 WeakPolarHBondContact O-CG 3.37Å; R367-K371 PolarHBondContact O-N 3.36Å; Y368-K371 CarbonylContact O-C 2.64Å; Y368-K371 PolarHBondContact O-N 3.11Å; H369-K371 PolarHBondContact O-N 2.84Å; K371-L375 WeakPolarHBondContact O-CB 3.3Å; K371-L375 WeakPolarHBondContact O-CD1 3.3Å; K371-L375 WeakPolarHBondContact O-CG 2.76Å; K371-L375 PolarHBondContact O-N 2.85Å; K371-Y390 HydrophobicContact CG-CD2 3.76Å; K371-Y390 HydrophobicContact CG-CE2 3.61Å
372	A	42.1	Very low	40.5	Very low	52 Å²	52	72.6 Å²	72.6	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-73.6	-44.2	178.3	0	0	0	0	0	111.4	Y368 H369 H370 I374 L375 F376	Y368-A372 WeakPolarHBondContact O-CB 3.34Å; Y368-A372 PolarHBondContact O-N 2.99Å; H369-A372 CarbonylContact O-C 3.19Å; H369-A372 WeakPolarHBondContact O-CA 3.38Å; H369-A372 WeakPolarHBondContact O-CB 3.17Å; H369-A372 PolarHBondContact O-N 3.22Å; H370-A372 PolarHBondContact O-N 3.36Å; A372-I374 VanDerWaalsContact C-N 3.33Å; A372-L375 PolarHBondContact O-N 3Å; A372-F376 VanDerWaalsContact O-CB 3.3Å; A372-F376 WeakPolarHBondContact O-CB 3.3Å; A372-F376 PolarHBondContact O-N 3.02Å
373	V	41.9	Very low	41.3	Very low	16 Å²	16	73.8 Å²	73.8	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-44.8	171.4	172.7	0	0	0	0	110	H369 H370 F376 F377	H369-V373 WeakPolarHBondContact O-CG2 3.43Å; H369-V373 PolarHBondContact O-N 3.41Å; H370-V373 PolarHBondContact O-N 3.35Å; V373-F376 VanDerWaalsContact O-CB 3.32Å; V373-F376 WeakPolarHBondContact O-CB 3.45Å; V373-F376 PolarHBondContact O-N 2.64Å; V373-F377 HydrophobicContact CG1-CD2 3.74Å; V373-F377 HydrophobicContact CG1-CE2 3.7Å; V373-F377 WeakPolarHBondContact O-CD2 3.42Å; V373-F377 PolarHBondContact O-N 2.8Å
374	I	39.4	Very low	42	Very low	1 Å²	1	80.3 Å²	80.3	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-67.5	-42	177.9	-68.3	168.2	0	0	0	111.6	H370 A372 F376 F377 S378 W389 Y390 Y393	H370-I374 HydrophobicContact CB-CD1 4.09Å; H370-I374 WeakPolarHBondContact O-CB 3.5Å; H370-I374 VanDerWaalsContact O-CD1 3.32Å; H370-I374 WeakPolarHBondContact O-CD1 3.39Å; H370-I374 WeakPolarHBondContact O-CG1 3.32Å; H370-I374 PolarHBondContact O-N 3.2Å; A372-I374 VanDerWaalsContact C-N 3.33Å; I374-F376 PolarHBondContact O-N 2.89Å; I374-F377 PolarHBondContact O-N 3.05Å; I374-S378 VanDerWaalsContact O-CB 3.25Å; I374-S378 WeakPolarHBondContact O-CB 3.47Å; I374-S378 PolarHBondContact O-N 3.32Å; I374-S378 PolarHBondContact O-OG 3.48Å; I374-W389 HydrophobicContact CB-CE3 4.32Å; I374-W389 HydrophobicContact CB-CZ3 3.88Å; I374-W389 HydrophobicContact CG1-CZ3 3.83Å; I374-W389 HydrophobicContact CG2-CE3 3.38Å; I374-W389 HydrophobicContact CG2-CZ3 3.44Å; I374-W389 VanDerWaalsContact CG2-CZ3 3.44Å; I374-Y390 HydrophobicContact CB-CD2 4.45Å; I374-Y390 HydrophobicContact CD1-CD2 3.22Å; I374-Y390 HydrophobicContact CD1-CE2 3.46Å; I374-Y390 VanDerWaalsContact CD1-CE2 3.46Å; I374-Y390 HydrophobicContact CD1-CG 4.26Å; I374-Y390 HydrophobicContact CG1-CD2 4.38Å; I374-Y390 HydrophobicContact CG2-CD2 4.12Å; I374-Y393 HydrophobicContact CD1-CD1 3.42Å; I374-Y393 VanDerWaalsContact CD1-CD1 3.42Å; I374-Y393 HydrophobicContact CD1-CE1 3.67Å; I374-Y393 HydrophobicContact CD1-CG 4.13Å; I374-Y393 HydrophobicContact CG1-CD1 4.03Å; I374-Y393 HydrophobicContact CG1-CE1 4.11Å; I374-Y393 HydrophobicContact CG1-CG 4.38Å
375	L	36.3	Very low	42.8	Very low	76 Å²	76	81.4 Å²	81.4	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-33	172.2	-88.3	160.6	0	0	0	111.9	K371 A372 S378 K379 V386	K371-L375 WeakPolarHBondContact O-CB 3.3Å; K371-L375 WeakPolarHBondContact O-CD1 3.3Å; K371-L375 WeakPolarHBondContact O-CG 2.76Å; K371-L375 PolarHBondContact O-N 2.85Å; A372-L375 PolarHBondContact O-N 3Å; L375-S378 PolarHBondContact O-OG 2.92Å; L375-K379 WeakPolarHBondContact O-CB 3.22Å; L375-K379 VanDerWaalsContact O-CG 3.32Å; L375-K379 WeakPolarHBondContact O-CG 3.45Å; L375-K379 PolarHBondContact O-N 3.48Å; L375-K379 VanDerWaalsContact O-N 3.15Å; L375-V386 HydrophobicContact CD2-CG1 3.84Å; L375-V386 HydrophobicContact CD2-CG2 3.97Å; L375-V386 HydrophobicContact CG-CG1 4Å
376	F	41.2	Very low	42.8	Very low	94 Å²	94	79 Å²	79	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-69.1	-48.3	175.1	-170.2	-77.2	0	0	0	110.6	E289 A372 V373 I374 K379 R380	E289-F376 HydrophobicContact CG-CD1 3.77Å; E289-F376 HydrophobicContact CG-CE1 3.86Å; E289-F376 WeakPolarHBondContact OE1-CE1 3.34Å; E289-F376 WeakPolarHBondContact OE1-CZ 3.44Å; E289-F376 WeakPolarHBondContact OE2-CE1 3.46Å; A372-F376 VanDerWaalsContact O-CB 3.3Å; A372-F376 WeakPolarHBondContact O-CB 3.3Å; A372-F376 PolarHBondContact O-N 3.02Å; V373-F376 VanDerWaalsContact O-CB 3.32Å; V373-F376 WeakPolarHBondContact O-CB 3.45Å; V373-F376 PolarHBondContact O-N 2.64Å; I374-F376 PolarHBondContact O-N 2.89Å; F376-K379 PolarHBondContact O-N 3.27Å; F376-R380 HydrophobicContact CE1-CG 4.34Å; F376-R380 PolarHBondContact O-N 3.32Å; F376-R380 VanDerWaalsContact O-N 3.11Å
377	F	38.2	Very low	42.9	Very low	64 Å²	64	81.3 Å²	81.3	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-38.7	175.8	-83.9	-68.6	0	0	0	113.3	E289 V373 I374 K379 R380 R381 W389	E289-F377 HydrophobicContact CB-CE2 3.99Å; E289-F377 HydrophobicContact CB-CZ 3.79Å; E289-F377 HydrophobicContact CG-CE2 4.24Å; E289-F377 HydrophobicContact CG-CZ 4.19Å; E289-F377 WeakPolarHBondContact OE2-CE1 3.48Å; V373-F377 HydrophobicContact CG1-CD2 3.74Å; V373-F377 HydrophobicContact CG1-CE2 3.7Å; V373-F377 WeakPolarHBondContact O-CD2 3.42Å; V373-F377 PolarHBondContact O-N 2.8Å; I374-F377 PolarHBondContact O-N 3.05Å; F377-K379 PolarHBondContact O-N 2.92Å; F377-R380 PolarHBondContact O-N 3.4Å; F377-R381 PolarHBondContact O-N 3.47Å; F377-W389 HydrophobicContact CB-CH2 3.87Å; F377-W389 HydrophobicContact CB-CZ2 4.48Å; F377-W389 HydrophobicContact CB-CZ3 4.43Å
378	S	38.6	Very low	43.2	Very low	5 Å²	5	80.3 Å²	80.3	4%	0.035	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-37.7	177.9	83.9	0	0	0	0	111.5	I374 L375 R381 G382 A383	I374-S378 VanDerWaalsContact O-CB 3.25Å; I374-S378 WeakPolarHBondContact O-CB 3.47Å; I374-S378 PolarHBondContact O-N 3.32Å; I374-S378 PolarHBondContact O-OG 3.48Å; L375-S378 PolarHBondContact O-OG 2.92Å; S378-R381 PolarHBondContact O-N 3.28Å; S378-G382 PolarHBondContact O-N 2.86Å; S378-A383 PolarHBondContact O-N 3.25Å; S378-A383 VanDerWaalsContact O-N 3.14Å
379	K	43.5	Very low	43.3	Very low	175 Å²	175	79.5 Å²	79.5	76%	0.761	40%	0.395	S	S	*	.	H	α-helix	trans	-65.1	-40.7	172.9	-83.6	-178.8	176.7	-177.5	0	112.2	L375 F376 F377	L375-K379 WeakPolarHBondContact O-CB 3.22Å; L375-K379 VanDerWaalsContact O-CG 3.32Å; L375-K379 WeakPolarHBondContact O-CG 3.45Å; L375-K379 PolarHBondContact O-N 3.48Å; L375-K379 VanDerWaalsContact O-N 3.15Å; F376-K379 PolarHBondContact O-N 3.27Å; F377-K379 PolarHBondContact O-N 2.92Å
380	R	44.1	Very low	43.1	Very low	168 Å²	168	79.3 Å²	79.3	63%	0.634	39%	0.393	S	S	*	.	H	α-helix	trans	-69.4	-31.2	176.7	-93	-170.7	168.3	167.4	-3.2	113.6	E289 F376 F377	E289-R380 VanDerWaalsContact CD-NH1 3.27Å; E289-R380 IonicContact OE1-CZ 3.2Å; E289-R380 IonicContact OE1-NH1 2.78Å; E289-R380 PolarHBondContact OE1-NH1 3.25Å; E289-R380 IonicContact OE1-NH2 3.42Å; E289-R380 IonicContact OE2-NH1 3.19Å; E289-R380 PolarHBondContact OE2-NH1 3.39Å; F376-R380 HydrophobicContact CE1-CG 4.34Å; F376-R380 PolarHBondContact O-N 3.32Å; F376-R380 VanDerWaalsContact O-N 3.11Å; F377-R380 PolarHBondContact O-N 3.4Å
381	R	45.5	Very low	43.1	Very low	199 Å²	199	81 Å²	81	75%	0.751	41%	0.405	S	S	*	.	H	α-helix	trans	-98.4	-0.1	-179.2	-71.4	-162.8	174.1	-171.6	1.2	115.5	F377 S378 A383	F377-R381 PolarHBondContact O-N 3.47Å; S378-R381 PolarHBondContact O-N 3.28Å; R381-A383 VanDerWaalsContact C-N 3.29Å; R381-A383 PolarHBondContact O-N 2.87Å
382	G	43.1	Very low	43.3	Very low	61 Å²	61	82.4 Å²	82.4	63%	0.629	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	25.4	178.6	0	0	0	0	0	114.5	S378 K384	S378-G382 PolarHBondContact O-N 2.86Å; G382-K384 PolarHBondContact O-N 3.17Å
383	A	49.2	Very low	43.4	Very low	35 Å²	35	81.7 Å²	81.7	29%	0.289	40%	0.4	S	S	.	.			trans	-69	128.7	179.8	0	0	0	0	0	110.8	S378 R381 W389	S378-A383 PolarHBondContact O-N 3.25Å; S378-A383 VanDerWaalsContact O-N 3.14Å; R381-A383 VanDerWaalsContact C-N 3.29Å; R381-A383 PolarHBondContact O-N 2.87Å; A383-W389 HydrophobicContact CB-CG 4.42Å
384	K	49.7	Very low	43.5	Very low	217 Å²	217	83.5 Å²	83.5	94%	0.943	41%	0.408	S	S	*	.	S	Bend	trans	-79.8	-22.5	-173.1	-73.7	-177.4	178.6	176.8	0	114.2	G382	G382-K384 PolarHBondContact O-N 3.17Å
385	D	55.2	Low	43.8	Very low	78 Å²	78	92 Å²	92	42%	0.417	44%	0.44	S	S	.	.			trans	-129.7	108.1	178	-167.7	-25.5	0	0	0	110.9	A387 E388 W389	D385-A387 VanDerWaalsContact C-N 3.31Å; D385-A387 WeakPolarHBondContact OD1-CA 3.23Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 2.81Å; D385-E388 HydrophobicContact CB-CB 3.8Å; D385-E388 PolarHBondContact OD1-N 3.46Å; D385-E388 VanDerWaalsContact OD1-N 3.09Å; D385-W389 WeakPolarHBondContact O-CB 3.03Å; D385-W389 PolarHBondContact O-N 3.05Å
386	V	40	Very low	43.8	Very low	48 Å²	48	90.5 Å²	90.5	29%	0.291	44%	0.438	S	S	.	.	H	α-helix	trans	-69.8	-29.6	180	-178.9	0	0	0	0	111.5	L375 Y390	L375-V386 HydrophobicContact CD2-CG1 3.84Å; L375-V386 HydrophobicContact CD2-CG2 3.97Å; L375-V386 HydrophobicContact CG-CG1 4Å; V386-Y390 WeakPolarHBondContact O-CB 3.42Å; V386-Y390 PolarHBondContact O-N 2.72Å
387	A	42.6	Very low	43.7	Very low	62 Å²	62	87 Å²	87	51%	0.512	42%	0.424	S	S	.	.	H	α-helix	trans	-78.6	-39.1	-179.6	0	0	0	0	0	111.4	D385 T391	D385-A387 VanDerWaalsContact C-N 3.31Å; D385-A387 WeakPolarHBondContact OD1-CA 3.23Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 2.81Å; A387-T391 WeakPolarHBondContact O-CB 3.46Å; A387-T391 PolarHBondContact O-N 3.16Å; A387-T391 PolarHBondContact O-OG1 2.91Å
388	E	45.6	Very low	43.6	Very low	118 Å²	118	88.3 Å²	88.3	55%	0.551	43%	0.434	S	S	*	.	H	α-helix	trans	-64.2	-48.7	171.8	-165.7	171.2	-151.4	0	0	110.4	D385 Y390 T391 E392	D385-E388 HydrophobicContact CB-CB 3.8Å; D385-E388 PolarHBondContact OD1-N 3.46Å; D385-E388 VanDerWaalsContact OD1-N 3.09Å; E388-Y390 PolarHBondContact O-N 2.91Å; E388-T391 PolarHBondContact O-N 3.4Å; E388-T391 VanDerWaalsContact O-N 3.11Å; E388-E392 WeakPolarHBondContact O-CB 3.49Å; E388-E392 WeakPolarHBondContact O-CG 3.39Å; E388-E392 PolarHBondContact O-N 3.07Å
389	W	45.1	Very low	43.2	Very low	54 Å²	54	88.9 Å²	88.9	21%	0.205	44%	0.441	C	S	.	.	H	α-helix	trans	-64.7	-35.6	176.3	-163.2	88.3	0	0	0	112.9	I374 F377 A383 D385 Y393	I374-W389 HydrophobicContact CB-CE3 4.32Å; I374-W389 HydrophobicContact CB-CZ3 3.88Å; I374-W389 HydrophobicContact CG1-CZ3 3.83Å; I374-W389 HydrophobicContact CG2-CE3 3.38Å; I374-W389 HydrophobicContact CG2-CZ3 3.44Å; I374-W389 VanDerWaalsContact CG2-CZ3 3.44Å; F377-W389 HydrophobicContact CB-CH2 3.87Å; F377-W389 HydrophobicContact CB-CZ2 4.48Å; F377-W389 HydrophobicContact CB-CZ3 4.43Å; A383-W389 HydrophobicContact CB-CG 4.42Å; D385-W389 WeakPolarHBondContact O-CB 3.03Å; D385-W389 PolarHBondContact O-N 3.05Å; W389-Y393 AromaticContact CH2-CD2 3.86Å; W389-Y393 HydrophobicContact CH2-CD2 3.86Å; W389-Y393 HydrophobicContact CH2-CE2 4.48Å; W389-Y393 HydrophobicContact CH2-CG 4.45Å; W389-Y393 AromaticContact CZ3-CD2 3.9Å; W389-Y393 HydrophobicContact CZ3-CD2 3.9Å; W389-Y393 HydrophobicContact CZ3-CG 4.05Å; W389-Y393 WeakPolarHBondContact O-CA 3.33Å; W389-Y393 WeakPolarHBondContact O-CB 3.28Å; W389-Y393 PolarHBondContact O-N 3.21Å
390	Y	40.1	Very low	42.9	Very low	32 Å²	32	85.2 Å²	85.2	13%	0.125	43%	0.428	C	S	.	.	H	α-helix	trans	-66.3	-37.7	172.8	-179.6	-85.2	0	0	0	111.6	R367 H370 K371 I374 V386 E388 Y393 M394	R367-Y390 WeakPolarHBondContact CG-OH 3.43Å; H370-Y390 HydrophobicContact CB-CE2 4.42Å; K371-Y390 HydrophobicContact CG-CD2 3.76Å; K371-Y390 HydrophobicContact CG-CE2 3.61Å; I374-Y390 HydrophobicContact CB-CD2 4.45Å; I374-Y390 HydrophobicContact CD1-CD2 3.22Å; I374-Y390 HydrophobicContact CD1-CE2 3.46Å; I374-Y390 VanDerWaalsContact CD1-CE2 3.46Å; I374-Y390 HydrophobicContact CD1-CG 4.26Å; I374-Y390 HydrophobicContact CG1-CD2 4.38Å; I374-Y390 HydrophobicContact CG2-CD2 4.12Å; V386-Y390 WeakPolarHBondContact O-CB 3.42Å; V386-Y390 PolarHBondContact O-N 2.72Å; E388-Y390 PolarHBondContact O-N 2.91Å; Y390-Y393 PolarHBondContact O-N 2.93Å; Y390-M394 HydrophobicContact CD1-CG 3.93Å; Y390-M394 HydrophobicContact CE1-CG 3.51Å; Y390-M394 HydrophobicContact CE1-SD 4.26Å; Y390-M394 WeakPolarHBondContact O-CB 3.31Å; Y390-M394 WeakPolarHBondContact O-CG 3.15Å; Y390-M394 PolarHBondContact O-N 2.92Å
391	T	45.1	Very low	42.7	Very low	63 Å²	63	82.7 Å²	82.7	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-73.8	-40.8	178.8	-54.2	0	0	0	0	110.8	A387 E388 R395	A387-T391 WeakPolarHBondContact O-CB 3.46Å; A387-T391 PolarHBondContact O-N 3.16Å; A387-T391 PolarHBondContact O-OG1 2.91Å; E388-T391 PolarHBondContact O-N 3.4Å; E388-T391 VanDerWaalsContact O-N 3.11Å; T391-R395 VanDerWaalsContact O-CB 3.28Å; T391-R395 WeakPolarHBondContact O-CB 3.32Å; T391-R395 WeakPolarHBondContact O-CG 3.38Å; T391-R395 PolarHBondContact O-N 2.97Å
392	E	43.9	Very low	42.4	Very low	112 Å²	112	79.8 Å²	79.8	52%	0.523	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-40.6	169.3	-75.9	-172.5	156.5	0	0	111.5	E388 R395 A396	E388-E392 WeakPolarHBondContact O-CB 3.49Å; E388-E392 WeakPolarHBondContact O-CG 3.39Å; E388-E392 PolarHBondContact O-N 3.07Å; E392-R395 CarbonylContact O-C 3.58Å; E392-R395 PolarHBondContact O-N 2.77Å; E392-A396 WeakPolarHBondContact O-CA 3.49Å; E392-A396 WeakPolarHBondContact O-CB 3.48Å; E392-A396 PolarHBondContact O-N 2.91Å
393	Y	44.2	Very low	42	Very low	38 Å²	38	80.7 Å²	80.7	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-64.9	-46.5	175.8	176.6	-92.3	0	0	0	110.8	H370 I374 W389 Y390 A396 T397	H370-Y393 AromaticContact ND1-CE1 4Å; I374-Y393 HydrophobicContact CD1-CD1 3.42Å; I374-Y393 VanDerWaalsContact CD1-CD1 3.42Å; I374-Y393 HydrophobicContact CD1-CE1 3.67Å; I374-Y393 HydrophobicContact CD1-CG 4.13Å; I374-Y393 HydrophobicContact CG1-CD1 4.03Å; I374-Y393 HydrophobicContact CG1-CE1 4.11Å; I374-Y393 HydrophobicContact CG1-CG 4.38Å; W389-Y393 AromaticContact CH2-CD2 3.86Å; W389-Y393 HydrophobicContact CH2-CD2 3.86Å; W389-Y393 HydrophobicContact CH2-CE2 4.48Å; W389-Y393 HydrophobicContact CH2-CG 4.45Å; W389-Y393 AromaticContact CZ3-CD2 3.9Å; W389-Y393 HydrophobicContact CZ3-CD2 3.9Å; W389-Y393 HydrophobicContact CZ3-CG 4.05Å; W389-Y393 WeakPolarHBondContact O-CA 3.33Å; W389-Y393 WeakPolarHBondContact O-CB 3.28Å; W389-Y393 PolarHBondContact O-N 3.21Å; Y390-Y393 PolarHBondContact O-N 2.93Å; Y393-A396 CarbonylContact O-C 3.29Å; Y393-A396 PolarHBondContact O-N 3.44Å; Y393-T397 HydrophobicContact CD1-CG2 4.01Å; Y393-T397 HydrophobicContact CD2-CG2 4.33Å; Y393-T397 HydrophobicContact CE1-CG2 3.6Å; Y393-T397 HydrophobicContact CE2-CG2 3.94Å; Y393-T397 HydrophobicContact CG-CG2 4.37Å; Y393-T397 WeakPolarHBondContact O-CB 3.49Å; Y393-T397 WeakPolarHBondContact O-CG2 3.22Å; Y393-T397 PolarHBondContact O-N 3.3Å; Y393-T397 PolarHBondContact O-OG1 3.38Å
394	M	43.1	Very low	41.5	Very low	53 Å²	53	80.1 Å²	80.1	26%	0.261	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-42.7	174.9	-72.2	-65.3	-50.2	0	0	111.6	Y390 A396 T397 D398	Y390-M394 HydrophobicContact CD1-CG 3.93Å; Y390-M394 HydrophobicContact CE1-CG 3.51Å; Y390-M394 HydrophobicContact CE1-SD 4.26Å; Y390-M394 WeakPolarHBondContact O-CB 3.31Å; Y390-M394 WeakPolarHBondContact O-CG 3.15Å; Y390-M394 PolarHBondContact O-N 2.92Å; M394-A396 VanDerWaalsContact C-N 3.32Å; M394-A396 PolarHBondContact O-N 2.92Å; M394-T397 VanDerWaalsContact CA-OG1 3.24Å; M394-T397 WeakPolarHBondContact CA-OG1 3.39Å; M394-T397 PolarHBondContact O-N 2.83Å; M394-T397 PolarHBondContact O-OG1 3.33Å; M394-D398 WeakPolarHBondContact O-CB 3.36Å; M394-D398 PolarHBondContact O-N 2.94Å
395	R	45.6	Very low	41	Very low	181 Å²	181	75.2 Å²	75.2	68%	0.683	39%	0.387	S	S	*	.	H	α-helix	trans	-65.7	-35	174.2	-76.7	175.6	-175.7	174.6	2.4	112.4	T391 E392 G399	T391-R395 VanDerWaalsContact O-CB 3.28Å; T391-R395 WeakPolarHBondContact O-CB 3.32Å; T391-R395 WeakPolarHBondContact O-CG 3.38Å; T391-R395 PolarHBondContact O-N 2.97Å; E392-R395 CarbonylContact O-C 3.58Å; E392-R395 PolarHBondContact O-N 2.77Å; R395-G399 WeakPolarHBondContact O-CA 3.49Å; R395-G399 PolarHBondContact O-N 2.96Å
396	A	36.8	Very low	40.2	Very low	43 Å²	43	73.4 Å²	73.4	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-83	-17.2	177.2	0	0	0	0	0	111.8	E392 Y393 M394 G399 M400	E392-A396 WeakPolarHBondContact O-CA 3.49Å; E392-A396 WeakPolarHBondContact O-CB 3.48Å; E392-A396 PolarHBondContact O-N 2.91Å; Y393-A396 CarbonylContact O-C 3.29Å; Y393-A396 PolarHBondContact O-N 3.44Å; M394-A396 VanDerWaalsContact C-N 3.32Å; M394-A396 PolarHBondContact O-N 2.92Å; A396-G399 CarbonylContact O-C 3.52Å; A396-M400 HydrophobicContact CB-CE 4.14Å; A396-M400 VanDerWaalsContact O-CA 3.28Å; A396-M400 WeakPolarHBondContact O-CA 3.49Å; A396-M400 WeakPolarHBondContact O-CB 3.5Å; A396-M400 VanDerWaalsContact O-CE 3.29Å; A396-M400 WeakPolarHBondContact O-CE 3.42Å; A396-M400 WeakPolarHBondContact O-CG 3.49Å; A396-M400 PolarHBondContact O-N 3.35Å
397	T	39.1	Very low	40	Very low	20 Å²	20	74 Å²	74	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-85	-39.7	170.2	49.2	0	0	0	0	111	V234 Y393 M394 G399 M400 E401	V234-T397 HydrophobicContact CG1-CG2 4.32Å; Y393-T397 HydrophobicContact CD1-CG2 4.01Å; Y393-T397 HydrophobicContact CD2-CG2 4.33Å; Y393-T397 HydrophobicContact CE1-CG2 3.6Å; Y393-T397 HydrophobicContact CE2-CG2 3.94Å; Y393-T397 HydrophobicContact CG-CG2 4.37Å; Y393-T397 WeakPolarHBondContact O-CB 3.49Å; Y393-T397 WeakPolarHBondContact O-CG2 3.22Å; Y393-T397 PolarHBondContact O-N 3.3Å; Y393-T397 PolarHBondContact O-OG1 3.38Å; M394-T397 VanDerWaalsContact CA-OG1 3.24Å; M394-T397 WeakPolarHBondContact CA-OG1 3.39Å; M394-T397 PolarHBondContact O-N 2.83Å; M394-T397 PolarHBondContact O-OG1 3.33Å; T397-G399 VanDerWaalsContact C-N 3.28Å; T397-M400 HydrophobicContact CG2-CE 4.3Å; T397-M400 PolarHBondContact O-N 2.87Å; T397-E401 PolarHBondContact O-N 3.17Å
398	D	36	Very low	39.8	Very low	92 Å²	92	75.7 Å²	75.7	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-43.1	167.1	-68.3	-7.3	0	0	0	109	M394 E402	M394-D398 WeakPolarHBondContact O-CB 3.36Å; M394-D398 PolarHBondContact O-N 2.94Å; D398-E402 WeakPolarHBondContact O-CG 3.39Å; D398-E402 PolarHBondContact O-N 3.38Å
399	G	30.7	Very low	39.6	Very low	18 Å²	18	77 Å²	77	19%	0.186	39%	0.388	C	S	.	.	H	α-helix	trans	-72.8	-22.5	172.6	0	0	0	0	0	114.8	R395 A396 T397 V403	R395-G399 WeakPolarHBondContact O-CA 3.49Å; R395-G399 PolarHBondContact O-N 2.96Å; A396-G399 CarbonylContact O-C 3.52Å; T397-G399 VanDerWaalsContact C-N 3.28Å; G399-V403 WeakPolarHBondContact O-CB 3.46Å; G399-V403 WeakPolarHBondContact O-CG2 3.41Å; G399-V403 PolarHBondContact O-N 3.41Å
400	M	36.7	Very low	39.1	Very low	98 Å²	98	80.6 Å²	80.6	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-83.8	-28.4	174.7	-90.8	-176.8	-90.2	0	0	110.7	A396 T397 A404	A396-M400 HydrophobicContact CB-CE 4.14Å; A396-M400 VanDerWaalsContact O-CA 3.28Å; A396-M400 WeakPolarHBondContact O-CA 3.49Å; A396-M400 WeakPolarHBondContact O-CB 3.5Å; A396-M400 VanDerWaalsContact O-CE 3.29Å; A396-M400 WeakPolarHBondContact O-CE 3.42Å; A396-M400 WeakPolarHBondContact O-CG 3.49Å; A396-M400 PolarHBondContact O-N 3.35Å; T397-M400 HydrophobicContact CG2-CE 4.3Å; T397-M400 PolarHBondContact O-N 2.87Å; M400-A404 WeakPolarHBondContact O-CA 3.44Å; M400-A404 WeakPolarHBondContact O-CB 3.24Å; M400-A404 PolarHBondContact O-N 3.28Å
401	E	39.5	Very low	38.8	Very low	114 Å²	114	86.2 Å²	86.2	53%	0.533	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-51.6	164.1	-91	179.8	167.6	0	0	109.2	T397 V403 A404 Q405	T397-E401 PolarHBondContact O-N 3.17Å; E401-V403 VanDerWaalsContact C-N 3.35Å; E401-V403 PolarHBondContact O-N 3.39Å; E401-A404 PolarHBondContact O-N 3.09Å; E401-Q405 WeakPolarHBondContact O-CB 3.25Å; E401-Q405 PolarHBondContact O-N 2.81Å
402	E	38.8	Very low	37.9	Very low	138 Å²	138	85.2 Å²	85.2	65%	0.645	44%	0.436	S	S	*	.	H	α-helix	trans	-60.5	-40.3	176.4	-72.6	176.1	166.9	0	0	112.9	D398 A406	D398-E402 WeakPolarHBondContact O-CG 3.39Å; D398-E402 PolarHBondContact O-N 3.38Å; E402-A406 WeakPolarHBondContact O-CB 3.26Å; E402-A406 PolarHBondContact O-N 2.84Å
403	V	36.1	Very low	37.2	Very low	81 Å²	81	84 Å²	84	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-73.9	-38.9	177.1	167.9	0	0	0	0	111.5	G399 E401 Q405 A406 L407	G399-V403 WeakPolarHBondContact O-CB 3.46Å; G399-V403 WeakPolarHBondContact O-CG2 3.41Å; G399-V403 PolarHBondContact O-N 3.41Å; E401-V403 VanDerWaalsContact C-N 3.35Å; E401-V403 PolarHBondContact O-N 3.39Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; V403-A406 PolarHBondContact O-N 2.71Å; V403-L407 HydrophobicContact CG1-CD1 3.66Å; V403-L407 HydrophobicContact CG1-CG 4.16Å; V403-L407 VanDerWaalsContact O-CB 3.26Å; V403-L407 WeakPolarHBondContact O-CB 3.44Å; V403-L407 WeakPolarHBondContact O-CD1 3.49Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 3.28Å
404	A	38	Very low	36.4	Very low	22 Å²	22	87.2 Å²	87.2	18%	0.182	45%	0.454	C	S	.	.	H	α-helix	trans	-66.8	-38.7	175.1	0	0	0	0	0	111.1	M400 E401 L407 E408	M400-A404 WeakPolarHBondContact O-CA 3.44Å; M400-A404 WeakPolarHBondContact O-CB 3.24Å; M400-A404 PolarHBondContact O-N 3.28Å; E401-A404 PolarHBondContact O-N 3.09Å; A404-L407 PolarHBondContact O-N 3.18Å; A404-E408 WeakPolarHBondContact O-CB 2.89Å; A404-E408 PolarHBondContact O-N 3.02Å
405	Q	39.6	Very low	35.7	Very low	114 Å²	114	91.7 Å²	91.7	53%	0.533	48%	0.479	S	S	.	.	H	α-helix	trans	-67	-41.8	174.8	-156.6	166.2	31.9	0	0	110.6	E401 V403 L407 E408 E409	E401-Q405 WeakPolarHBondContact O-CB 3.25Å; E401-Q405 PolarHBondContact O-N 2.81Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; Q405-L407 PolarHBondContact O-N 2.86Å; Q405-E408 PolarHBondContact O-N 3.11Å; Q405-E409 WeakPolarHBondContact O-CB 3.27Å; Q405-E409 VanDerWaalsContact O-CG 3.25Å; Q405-E409 WeakPolarHBondContact O-CG 3.23Å; Q405-E409 PolarHBondContact O-N 3.08Å
406	A	37.7	Very low	34.9	Very low	40 Å²	40	89.3 Å²	89.3	33%	0.331	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-37.5	170.7	0	0	0	0	0	112.6	E402 V403 D410	E402-A406 WeakPolarHBondContact O-CB 3.26Å; E402-A406 PolarHBondContact O-N 2.84Å; V403-A406 PolarHBondContact O-N 2.71Å; A406-D410 WeakPolarHBondContact O-CB 3.43Å; A406-D410 PolarHBondContact O-N 2.95Å
407	L	36.2	Very low	34.5	Very low	62 Å²	62	90 Å²	90	33%	0.325	48%	0.484	S	S	.	.	H	α-helix	trans	-72.7	-32.1	177.3	-72.2	166.5	0	0	0	112.6	V403 A404 Q405 H411 A412 F414	V403-L407 HydrophobicContact CG1-CD1 3.66Å; V403-L407 HydrophobicContact CG1-CG 4.16Å; V403-L407 VanDerWaalsContact O-CB 3.26Å; V403-L407 WeakPolarHBondContact O-CB 3.44Å; V403-L407 WeakPolarHBondContact O-CD1 3.49Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 3.28Å; A404-L407 PolarHBondContact O-N 3.18Å; Q405-L407 PolarHBondContact O-N 2.86Å; L407-H411 PolarHBondContact O-N 3.03Å; L407-A412 HydrophobicContact CD2-CB 3.79Å; L407-A412 PolarHBondContact O-N 3.42Å; L407-A412 VanDerWaalsContact O-N 3.1Å; L407-F414 HydrophobicContact CD1-CE2 4.24Å; L407-F414 HydrophobicContact CD1-CZ 4.23Å; L407-F414 HydrophobicContact CD2-CE2 4.4Å; L407-F414 HydrophobicContact CD2-CZ 4.18Å
408	E	38	Very low	34	Very low	97 Å²	97	94 Å²	94	45%	0.453	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-46.1	170	-87.5	-175.5	160.3	0	0	111.5	H237 A404 Q405 D410 H411	H237-E408 IonicContact CD2-OE1 3.52Å; H237-E408 PolarHBondContact CD2-OE1 2.76Å; H237-E408 VanDerWaalsContact CD2-OE1 3.29Å; H237-E408 IonicContact NE2-OE1 3.73Å; A404-E408 WeakPolarHBondContact O-CB 2.89Å; A404-E408 PolarHBondContact O-N 3.02Å; Q405-E408 PolarHBondContact O-N 3.11Å; E408-D410 VanDerWaalsContact C-N 3.29Å; E408-D410 PolarHBondContact O-N 2.97Å; E408-H411 PolarHBondContact O-N 2.9Å
409	E	41.7	Very low	33.7	Very low	145 Å²	145	95.7 Å²	95.7	68%	0.678	52%	0.515	S	S	*	.	H	α-helix	trans	-61.8	-35.8	174.6	-74.7	177.5	177.8	0	0	111.9	Q405	Q405-E409 WeakPolarHBondContact O-CB 3.27Å; Q405-E409 VanDerWaalsContact O-CG 3.25Å; Q405-E409 WeakPolarHBondContact O-CG 3.23Å; Q405-E409 PolarHBondContact O-N 3.08Å
410	D	34.4	Very low	33.6	Very low	129 Å²	129	99.6 Å²	99.6	69%	0.69	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	1.6	178.2	-79.7	-18.1	0	0	0	114.3	A406 E408 A412	A406-D410 WeakPolarHBondContact O-CB 3.43Å; A406-D410 PolarHBondContact O-N 2.95Å; E408-D410 VanDerWaalsContact C-N 3.29Å; E408-D410 PolarHBondContact O-N 2.97Å; D410-A412 PolarHBondContact O-N 3.46Å; D410-A412 VanDerWaalsContact O-N 3.15Å
411	H	33.8	Very low	33.1	Very low	150 Å²	150	97.7 Å²	97.7	69%	0.694	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	36.6	-177.5	-60.9	-48.8	0	0	0	114.2	L407 E408 C413	L407-H411 PolarHBondContact O-N 3.03Å; E408-H411 PolarHBondContact O-N 2.9Å; H411-C413 PolarHBondContact O-N 2.92Å
412	A	26.2	Very low	32.6	Very low	42 Å²	42	97.4 Å²	97.4	35%	0.347	52%	0.522	S	S	.	.			trans	-76.4	97.1	-175	0	0	0	0	0	111.6	L407 D410	L407-A412 HydrophobicContact CD2-CB 3.79Å; L407-A412 PolarHBondContact O-N 3.42Å; L407-A412 VanDerWaalsContact O-N 3.1Å; D410-A412 PolarHBondContact O-N 3.46Å; D410-A412 VanDerWaalsContact O-N 3.15Å
413	C	28.1	Very low	32	Very low	86 Å²	86	94.1 Å²	94.1	58%	0.581	51%	0.508	S	S	*	.			trans	-73	123.3	169.9	-103.6	0	0	0	0	111.3	H411 D415	H411-C413 PolarHBondContact O-N 2.92Å; C413-D415 PolarHBondContact O-N 2.98Å
414	F	27.9	Very low	31.5	Very low	106 Å²	106	95.2 Å²	95.2	47%	0.465	52%	0.515	S	S	.	.			trans	-88.7	77.4	171.5	-69.7	-83	0	0	0	110.8	L407 V416	L407-F414 HydrophobicContact CD1-CE2 4.24Å; L407-F414 HydrophobicContact CD1-CZ 4.23Å; L407-F414 HydrophobicContact CD2-CE2 4.4Å; L407-F414 HydrophobicContact CD2-CZ 4.18Å; F414-V416 PolarHBondContact O-N 3.06Å
415	D	28.8	Very low	31	Very low	147 Å²	147	99.5 Å²	99.5	79%	0.786	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	1.6	-178.8	-77.5	-24.7	0	0	0	114.9	C413	C413-D415 PolarHBondContact O-N 2.98Å
416	V	29.4	Very low	30.3	Very low	132 Å²	132	97.8 Å²	97.8	80%	0.8	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	2.3	-165	-133.4	0	0	0	0	115.9	F414	F414-V416 PolarHBondContact O-N 3.06Å
417	V	28.7	Very low	29.6	Very low	58 Å²	58	100 Å²	100	35%	0.352	56%	0.56	S	S	.	*			trans	-129.9	100.2	175.6	-172.2	0	0	0	0	109.9	E419 L420 S421	V417-E419 WeakPolarHBondContact CG1-OE2 3Å; V417-E419 PolarHBondContact O-N 2.6Å; V417-E419 VanDerWaalsContact O-N 3.1Å; V417-L420 HydrophobicContact CB-CB 4.36Å; V417-L420 HydrophobicContact CB-CD1 4.26Å; V417-L420 HydrophobicContact CG1-CB 4.34Å; V417-L420 HydrophobicContact CG1-CD1 4Å; V417-L420 HydrophobicContact CG1-CG 4.17Å; V417-L420 PolarHBondContact O-N 2.88Å; V417-S421 PolarHBondContact O-OG 2.95Å
418	P	28.7	Very low	29.1	Very low	103 Å²	103	102.7 Å²	102.7	67%	0.669	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-24.6	-178	-25.1	34.4	0	0	0	114.4	S421	P418-S421 VanDerWaalsContact C-OG 3.3Å; P418-S421 WeakPolarHBondContact CA-OG 3.11Å; P418-S421 PolarHBondContact O-OG 2.98Å
419	E	29.5	Very low	28.8	Very low	127 Å²	127	106.9 Å²	106.9	59%	0.593	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-7.8	179.7	-56.9	89.1	177.1	0	0	114.4	T241 V417	T241-E419 PolarHBondContact OG1-O 2.67Å; V417-E419 WeakPolarHBondContact CG1-OE2 3Å; V417-E419 PolarHBondContact O-N 2.6Å; V417-E419 VanDerWaalsContact O-N 3.1Å
420	L	28.4	Very low	28.1	Very low	101 Å²	101	105 Å²	105	53%	0.529	60%	0.602	S	S	.	*	S	Bend	trans	-114.9	3.4	178.6	-71.3	169.2	0	0	0	113.3	V417 Y422	V417-L420 HydrophobicContact CB-CB 4.36Å; V417-L420 HydrophobicContact CB-CD1 4.26Å; V417-L420 HydrophobicContact CG1-CB 4.34Å; V417-L420 HydrophobicContact CG1-CD1 4Å; V417-L420 HydrophobicContact CG1-CG 4.17Å; V417-L420 PolarHBondContact O-N 2.88Å; L420-Y422 PolarHBondContact O-N 3.49Å
421	S	25.9	Very low	27.8	Very low	57 Å²	57	103.7 Å²	103.7	40%	0.399	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	15.5	-166.7	-32	0	0	0	0	116.2	V417 P418	V417-S421 PolarHBondContact O-OG 2.95Å; P418-S421 VanDerWaalsContact C-OG 3.3Å; P418-S421 WeakPolarHBondContact CA-OG 3.11Å; P418-S421 PolarHBondContact O-OG 2.98Å
422	Y	28.8	Very low	27.5	Very low	109 Å²	109	101.1 Å²	101.1	43%	0.427	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	10.9	-179.9	-84.8	-81	0	0	0	114.8	I127 R248 L420 V424	I127-Y422 HydrophobicContact CG2-CD1 4.25Å; I127-Y422 HydrophobicContact CG2-CE1 4.22Å; R248-Y422 PolarHBondContact NH2-OH 3.17Å; R248-Y422 VanDerWaalsContact NH2-OH 3.13Å; L420-Y422 PolarHBondContact O-N 3.49Å; Y422-V424 PolarHBondContact O-N 2.71Å
423	I	26.4	Very low	27.6	Very low	68 Å²	68	104.6 Å²	104.6	35%	0.349	61%	0.607	S	S	.	*			trans	-80.1	73	159.4	-52.8	168.1	0	0	0	107.7	L238	L238-I423 HydrophobicContact CD2-CD1 3.76Å; L238-I423 HydrophobicContact CD2-CG1 3.7Å
424	V	26.1	Very low	27.5	Very low	105 Å²	105	105.8 Å²	105.8	64%	0.636	61%	0.608	S	S	*	*			trans	-99.7	98	162	179.7	0	0	0	0	106.9	Y422 G426	Y422-V424 PolarHBondContact O-N 2.71Å; V424-G426 PolarHBondContact O-N 2.79Å
425	L	26.8	Very low	27.5	Very low	112 Å²	112	105.7 Å²	105.7	59%	0.586	62%	0.618	S	S	*	*			trans	-19.9	109.8	159.4	-68.9	158.1	0	0	0	111.7	S427	L425-S427 PolarHBondContact O-N 2.72Å
426	G	25.1	Very low	27.4	Very low	78 Å²	78	102.8 Å²	102.8	80%	0.804	61%	0.606	S	S	*	*			trans	-69	71.5	154.8	0	0	0	0	0	109.2	V424	V424-G426 PolarHBondContact O-N 2.79Å
427	S	23.7	Very low	27.3	Very low	86 Å²	86	100.5 Å²	100.5	60%	0.601	59%	0.591	S	S	*	*			trans	-104.4	141.7	157.7	-169.8	0	0	0	0	106.5	L425 L429	L425-S427 PolarHBondContact O-N 2.72Å; S427-L429 PolarHBondContact O-N 3.48Å
428	P	24.9	Very low	27.1	Very low	119 Å²	119	104.1 Å²	104.1	77%	0.773	61%	0.611	S	S	*	*			trans	-64.5	109.7	178.9	27.7	-31.8	0	0	0	108.7
429	L	31.6	Very low	27	Very low	184 Å²	184	104.2 Å²	104.2	96%	0.963	61%	0.606	S	S	*	*			trans	-106.4	0	143.7	-75.6	175	0	0	0	107	L192 S427	L192-L429 VanDerWaalsContact CD2-C 3.48Å; L192-L429 WeakPolarHBondContact CD2-OXT 2.82Å; S427-L429 PolarHBondContact O-N 3.48Å

Retrieved 429 of 429 residues in 1152.1 ms (Link to these results)

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