A0A077Z5F2_TRITR Loading...

Gut specific cysteine proteinase

AlphaFold DB , UniProt , Accession A0A077Z5F2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	37.1	Very low	232 Å²	232	152.8 Å²	152.8	100%	1.143	84%	0.841	S	S	*	*				0	130.1	0	-81.8	-174.9	-175.7	0	0	108.2
2	L	38.4	Very low	37.1	Very low	152 Å²	152	153.9 Å²	153.9	80%	0.796	84%	0.844	S	S	*	*			trans	68.4	135.9	-179.8	-67.6	104.5	0	0	0	117.2
3	R	37.5	Very low	36.9	Very low	223 Å²	223	158.4 Å²	158.4	84%	0.842	85%	0.85	S	S	*	*			cis	-166.7	138.3	-22.1	-118.6	179.8	-166.4	-174.5	0.9	104.9
4	F	35.2	Very low	36.9	Very low	205 Å²	205	154.1 Å²	154.1	90%	0.899	84%	0.839	S	S	*	*			trans	-36.9	133.8	168.1	-75.8	-104.6	0	0	0	114.9
5	A	40.1	Very low	37.2	Very low	95 Å²	95	154.9 Å²	154.9	79%	0.785	84%	0.841	S	S	*	*			trans	-138.6	82.5	151.6	0	0	0	0	0	108.6
6	A	33.4	Very low	37.7	Very low	95 Å²	95	151.2 Å²	151.2	79%	0.785	84%	0.838	S	S	*	*			trans	-82.7	102.1	162	0	0	0	0	0	107.3
7	T	42.9	Very low	38.3	Very low	129 Å²	129	150.1 Å²	150.1	79%	0.791	84%	0.836	S	S	*	*			trans	-97.1	107.1	166.2	36.5	0	0	0	0	108.7	F9	T7-F9 PolarHBondContact O-N 3.4Å
8	A	33.9	Very low	39.2	Very low	94 Å²	94	144.4 Å²	144.4	78%	0.777	81%	0.812	S	S	*	*			trans	-58.4	114.8	172.3	0	0	0	0	0	111
9	F	41	Very low	41.3	Very low	218 Å²	218	139.1 Å²	139.1	96%	0.956	79%	0.788	S	S	*	*			trans	-99	82.4	155	-111.2	-91.9	0	0	0	106.9	T7	T7-F9 PolarHBondContact O-N 3.4Å
10	A	33.9	Very low	43.8	Very low	77 Å²	77	134.7 Å²	134.7	64%	0.636	76%	0.758	S	S	*	*			trans	-132.2	136.1	170.3	0	0	0	0	0	108.4
11	L	33.2	Very low	46.2	Very low	161 Å²	161	128.2 Å²	128.2	84%	0.843	72%	0.722	S	S	*	*			trans	84.2	76.4	165.1	-59.6	152	0	0	0	117.5
12	L	37.1	Very low	48.9	Very low	166 Å²	166	119 Å²	119	87%	0.869	68%	0.676	S	S	*	*			trans	-149.6	54.4	152.5	-93.2	177.4	0	0	0	111.4
13	F	35.2	Very low	51.6	Low	212 Å²	212	117 Å²	117	93%	0.93	67%	0.667	S	S	*	*			trans	-156	67.9	161.3	-92.8	-72.7	0	0	0	110.2
14	S	35.7	Very low	54.3	Low	99 Å²	99	106.7 Å²	106.7	69%	0.692	63%	0.628	S	S	*	*	S	Bend	trans	-132.5	139.1	156.4	58.7	0	0	0	0	107.3
15	L	42.4	Very low	57.2	Low	165 Å²	165	98.4 Å²	98.4	86%	0.864	59%	0.591	S	S	*	*			trans	104.9	17.9	173	-55.7	159.8	0	0	0	119.6	T17	L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 3.36Å
16	A	44.3	Very low	59.9	Low	96 Å²	96	97.7 Å²	97.7	79%	0.793	57%	0.571	S	S	*	*			trans	-85.8	11.2	174.2	0	0	0	0	0	115.3
17	T	48.4	Very low	62.8	Low	132 Å²	132	96.9 Å²	96.9	81%	0.81	55%	0.551	S	S	*	*	S	Bend	trans	-111.8	11.3	-158.3	53.2	0	0	0	0	117.9	L15	L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 3.36Å
18	A	55	Low	65.2	Low	49 Å²	49	90.7 Å²	90.7	41%	0.405	51%	0.513	S	S	.	.	S	Bend	trans	-144.2	-0.8	-179.9	0	0	0	0	0	118.5	Y20	A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.46Å
19	A	78	Confident	68.1	Low	43 Å²	43	89.9 Å²	89.9	36%	0.355	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	22.1	-167.1	0	0	0	0	0	116.6	Y21 E22 D23	A19-Y21 VanDerWaalsContact C-N 3.26Å; A19-Y21 PolarHBondContact O-N 3.17Å; A19-E22 WeakPolarHBondContact CA-OE2 3.37Å; A19-E22 PolarHBondContact O-N 3.17Å; A19-E22 VanDerWaalsContact O-N 3.15Å; A19-D23 WeakPolarHBondContact O-CB 3.44Å; A19-D23 VanDerWaalsContact O-CG 3.27Å; A19-D23 PolarHBondContact O-N 3.12Å
20	Y	91.6	Very high	70.6	Confident	50 Å²	50	86.2 Å²	86.2	20%	0.196	48%	0.478	C	S	.	.	H	α-helix	trans	-56.9	-40.8	-175.3	169.4	-99	0	0	0	112.4	A18 R24 K59 I62	A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.46Å; Y20-R24 HydrophobicContact CE2-CB 4.24Å; Y20-R24 WeakPolarHBondContact O-CB 3.43Å; Y20-R24 PolarHBondContact O-N 3.48Å; Y20-K59 VanDerWaalsContact CD1-CA 3.41Å; Y20-K59 HydrophobicContact CD1-CB 3.59Å; Y20-K59 HydrophobicContact CD1-CG 4.3Å; Y20-K59 VanDerWaalsContact CD1-N 3.3Å; Y20-K59 HydrophobicContact CD2-CB 3.9Å; Y20-K59 HydrophobicContact CE1-CB 3.61Å; Y20-K59 HydrophobicContact CE1-CD 4.45Å; Y20-K59 HydrophobicContact CE1-CG 3.79Å; Y20-K59 HydrophobicContact CE2-CB 3.95Å; Y20-K59 HydrophobicContact CE2-CD 3.93Å; Y20-K59 HydrophobicContact CE2-CG 4.12Å; Y20-K59 HydrophobicContact CG-CB 3.72Å; Y20-I62 HydrophobicContact CD1-CD1 3.73Å; Y20-I62 HydrophobicContact CE1-CD1 3.8Å
21	Y	94.4	Very high	73.3	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-62.7	-46.7	178.1	-176	-106.6	0	0	0	111.8	A19 Y25 K50 N51 F54 M57 I62 I282 Y283	A19-Y21 VanDerWaalsContact C-N 3.26Å; A19-Y21 PolarHBondContact O-N 3.17Å; Y21-Y25 WeakPolarHBondContact O-CB 3.46Å; Y21-Y25 PolarHBondContact O-N 2.97Å; Y21-K50 HydrophobicContact CE1-CB 4.18Å; Y21-K50 HydrophobicContact CE1-CG 4.22Å; Y21-N51 WeakPolarHBondContact OH-CB 3.5Å; Y21-N51 PolarHBondContact OH-N 3.13Å; Y21-N51 PolarHBondContact OH-O 3.45Å; Y21-F54 WeakPolarHBondContact CB-O 3.45Å; Y21-F54 HydrophobicContact CD2-CB 3.6Å; Y21-F54 HydrophobicContact CE1-CB 4.41Å; Y21-F54 HydrophobicContact CE2-CB 3.33Å; Y21-F54 HydrophobicContact CE2-CD2 4.46Å; Y21-F54 HydrophobicContact CE2-CG 4.21Å; Y21-F54 HydrophobicContact CG-CB 4.24Å; Y21-F54 VanDerWaalsContact CG-O 3.24Å; Y21-M57 PolarHBondContact N-O 3.43Å; Y21-I62 HydrophobicContact CD2-CD1 4.22Å; Y21-I282 HydrophobicContact CD2-CD1 3.79Å; Y21-I282 HydrophobicContact CD2-CG1 4.44Å; Y21-I282 HydrophobicContact CE2-CB 4.4Å; Y21-I282 HydrophobicContact CE2-CD1 3.81Å; Y21-I282 HydrophobicContact CE2-CG1 3.95Å; Y21-I282 PolarHBondContact OH-O 2.84Å; Y21-Y283 HydrophobicContact CD1-CE1 4.24Å; Y21-Y283 HydrophobicContact CD2-CD1 4.44Å; Y21-Y283 AromaticContact CD2-CE1 3.52Å; Y21-Y283 HydrophobicContact CD2-CE1 3.52Å; Y21-Y283 AromaticContact CD2-CZ 3.78Å; Y21-Y283 HydrophobicContact CE1-CD1 4.29Å; Y21-Y283 AromaticContact CE1-CE1 3.85Å; Y21-Y283 HydrophobicContact CE1-CE1 3.85Å; Y21-Y283 AromaticContact CE2-CD1 3.55Å; Y21-Y283 HydrophobicContact CE2-CD1 3.55Å; Y21-Y283 AromaticContact CE2-CE1 3.04Å; Y21-Y283 HydrophobicContact CE2-CE1 3.04Å; Y21-Y283 HydrophobicContact CE2-CG 4.47Å; Y21-Y283 AromaticContact CE2-CZ 3.64Å; Y21-Y283 HydrophobicContact CG-CE1 4.09Å; Y21-Y283 AromaticContact CZ-CD1 3.45Å; Y21-Y283 VanDerWaalsContact CZ-CD1 3.45Å; Y21-Y283 AromaticContact CZ-CE1 3.22Å; Y21-Y283 PolarHBondContact O-OH 3.44Å; Y21-Y283 WeakPolarHBondContact OH-CD1 3.32Å
22	E	95.6	Very high	76	Confident	38 Å²	38	77.3 Å²	77.3	18%	0.178	42%	0.422	C	S	.	.	H	α-helix	trans	-69.6	-42.5	-178.7	-67	68.7	-151.1	0	0	111.8	A19 Y25 E26 G56	A19-E22 WeakPolarHBondContact CA-OE2 3.37Å; A19-E22 PolarHBondContact O-N 3.17Å; A19-E22 VanDerWaalsContact O-N 3.15Å; E22-Y25 WeakPolarHBondContact O-CB 3.46Å; E22-Y25 PolarHBondContact O-N 3.44Å; E22-E26 PolarHBondContact O-N 2.85Å; E22-G56 PolarHBondContact OE1-N 3.12Å
23	D	94.7	Very high	78.5	Confident	111 Å²	111	73.8 Å²	73.8	59%	0.594	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-44.5	178.6	-68.9	-18.4	0	0	0	111.1	A19 Y25 E26 E27	A19-D23 WeakPolarHBondContact O-CB 3.44Å; A19-D23 VanDerWaalsContact O-CG 3.27Å; A19-D23 PolarHBondContact O-N 3.12Å; D23-Y25 VanDerWaalsContact C-N 3.31Å; D23-Y25 PolarHBondContact O-N 3.24Å; D23-E26 PolarHBondContact O-N 3.27Å; D23-E27 PolarHBondContact O-N 3.35Å; D23-E27 VanDerWaalsContact O-N 3.09Å
24	R	94.8	Very high	81	Confident	5 Å²	5	69.9 Å²	69.9	2%	0.019	39%	0.387	C	S	.	.	H	α-helix	trans	-69.4	-30.7	179.5	-176.3	57.2	174.5	150.1	10.1	111.9	Y20 E27 L28 D279 Y283 S294	Y20-R24 HydrophobicContact CE2-CB 4.24Å; Y20-R24 WeakPolarHBondContact O-CB 3.43Å; Y20-R24 PolarHBondContact O-N 3.48Å; R24-E27 VanDerWaalsContact CD-OE2 3.3Å; R24-E27 WeakPolarHBondContact CD-OE2 3.26Å; R24-E27 IonicContact CZ-OE2 3.82Å; R24-E27 IonicContact NE-OE2 3.01Å; R24-E27 IonicContact NH1-OE1 3.96Å; R24-E27 PolarHBondContact NH1-OE1 2.03Å; R24-E27 IonicContact NH1-OE2 3.92Å; R24-E27 PolarHBondContact NH1-OE2 2.8Å; R24-E27 PolarHBondContact O-N 3.44Å; R24-L28 HydrophobicContact CG-CD1 4.26Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.05Å; R24-D279 IonicContact CZ-OD2 3.15Å; R24-D279 IonicContact NE-OD1 2.75Å; R24-D279 IonicContact NE-OD2 2.73Å; R24-D279 PolarHBondContact NE-OD2 3.06Å; R24-D279 IonicContact NH2-OD1 3.97Å; R24-D279 PolarHBondContact NH2-OD1 3.3Å; R24-D279 IonicContact NH2-OD2 2.8Å; R24-D279 PolarHBondContact NH2-OD2 2.86Å; R24-Y283 WeakPolarHBondContact CB-OH 3.31Å; R24-Y283 HydrophobicContact CG-CE2 4.43Å; R24-S294 PolarHBondContact NH2-O 3.09Å
25	Y	95.8	Very high	83.3	Confident	32 Å²	32	67.7 Å²	67.7	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-59.1	-49	171.5	175.8	-98.8	0	0	0	111.3	Y21 E22 D23 L28 K29 F48 K50 Y283	Y21-Y25 WeakPolarHBondContact O-CB 3.46Å; Y21-Y25 PolarHBondContact O-N 2.97Å; E22-Y25 WeakPolarHBondContact O-CB 3.46Å; E22-Y25 PolarHBondContact O-N 3.44Å; D23-Y25 VanDerWaalsContact C-N 3.31Å; D23-Y25 PolarHBondContact O-N 3.24Å; Y25-L28 PolarHBondContact O-N 3.12Å; Y25-K29 HydrophobicContact CE1-CD 3.94Å; Y25-K29 VanDerWaalsContact O-CB 3.24Å; Y25-K29 WeakPolarHBondContact O-CB 3.44Å; Y25-K29 PolarHBondContact O-N 3.17Å; Y25-F48 HydrophobicContact CD2-CD1 4.31Å; Y25-F48 AromaticContact CD2-CE1 3.41Å; Y25-F48 HydrophobicContact CD2-CE1 3.41Å; Y25-F48 VanDerWaalsContact CD2-CE1 3.41Å; Y25-F48 AromaticContact CD2-CZ 3.57Å; Y25-F48 HydrophobicContact CD2-CZ 3.57Å; Y25-F48 AromaticContact CE2-CD1 3.69Å; Y25-F48 HydrophobicContact CE2-CD1 3.69Å; Y25-F48 AromaticContact CE2-CE1 3.19Å; Y25-F48 HydrophobicContact CE2-CE1 3.19Å; Y25-F48 AromaticContact CE2-CZ 3.82Å; Y25-F48 HydrophobicContact CE2-CZ 3.82Å; Y25-F48 HydrophobicContact CG-CE1 4.33Å; Y25-F48 HydrophobicContact CG-CZ 4.46Å; Y25-F48 AromaticContact CZ-CE1 3.98Å; Y25-K50 HydrophobicContact CD1-CD 4.31Å; Y25-K50 HydrophobicContact CD1-CG 4.08Å; Y25-K50 HydrophobicContact CD2-CG 3.79Å; Y25-K50 HydrophobicContact CE1-CG 4.24Å; Y25-K50 HydrophobicContact CE2-CG 3.98Å; Y25-K50 HydrophobicContact CG-CD 4.42Å; Y25-K50 HydrophobicContact CG-CG 3.84Å; Y25-Y283 AromaticContact CD2-CD1 3.6Å; Y25-Y283 HydrophobicContact CD2-CD1 3.6Å; Y25-Y283 AromaticContact CD2-CE1 3.91Å; Y25-Y283 HydrophobicContact CD2-CE1 3.91Å; Y25-Y283 HydrophobicContact CD2-CG 4.2Å; Y25-Y283 HydrophobicContact CG-CD1 4.36Å; Y25-Y283 HydrophobicContact CG-CE1 4.21Å; Y25-Y283 PolarHBondContact N-OH 3.16Å
26	E	95.9	Very high	85.2	Confident	79 Å²	79	63.7 Å²	63.7	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-38.9	-179.9	-64.1	-55.6	148.4	0	0	111.8	E22 D23 K29 Q30	E22-E26 PolarHBondContact O-N 2.85Å; D23-E26 PolarHBondContact O-N 3.27Å; E26-K29 PolarHBondContact O-N 2.59Å; E26-Q30 WeakPolarHBondContact O-CG 2.97Å; E26-Q30 PolarHBondContact O-N 3.18Å; E26-Q30 VanDerWaalsContact O-N 3.16Å
27	E	94.6	Very high	87.3	Confident	78 Å²	78	63.1 Å²	63.1	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-49.8	174.3	-168.2	-169.3	166.4	0	0	111.4	D23 R24 Q30 V31 R296	D23-E27 PolarHBondContact O-N 3.35Å; D23-E27 VanDerWaalsContact O-N 3.09Å; R24-E27 VanDerWaalsContact CD-OE2 3.3Å; R24-E27 WeakPolarHBondContact CD-OE2 3.26Å; R24-E27 IonicContact CZ-OE2 3.82Å; R24-E27 IonicContact NE-OE2 3.01Å; R24-E27 IonicContact NH1-OE1 3.96Å; R24-E27 PolarHBondContact NH1-OE1 2.03Å; R24-E27 IonicContact NH1-OE2 3.92Å; R24-E27 PolarHBondContact NH1-OE2 2.8Å; R24-E27 PolarHBondContact O-N 3.44Å; E27-Q30 PolarHBondContact O-N 2.78Å; E27-V31 WeakPolarHBondContact O-CG2 3.05Å; E27-V31 PolarHBondContact O-N 3.49Å; E27-R296 IonicContact OE1-CZ 3.82Å; E27-R296 IonicContact OE1-NH2 2.88Å; E27-R296 PolarHBondContact OE1-NH2 3.49Å; E27-R296 IonicContact OE2-NH1 3.67Å; E27-R296 IonicContact OE2-NH2 3.91Å
28	L	94.3	Very high	89	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-38.7	179.6	-80.8	173.5	0	0	0	112.4	R24 Y25 Q30 V31 I32 F48 D280 Y283	R24-L28 HydrophobicContact CG-CD1 4.26Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.05Å; Y25-L28 PolarHBondContact O-N 3.12Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 2.66Å; L28-V31 PolarHBondContact O-N 3.1Å; L28-V31 VanDerWaalsContact O-N 3.17Å; L28-I32 WeakPolarHBondContact O-CB 3.15Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.29Å; L28-I32 PolarHBondContact O-N 3.38Å; L28-F48 HydrophobicContact CB-CE1 4.44Å; L28-F48 HydrophobicContact CB-CE2 4.08Å; L28-F48 HydrophobicContact CB-CZ 3.61Å; L28-F48 HydrophobicContact CD1-CE2 4.18Å; L28-F48 HydrophobicContact CD1-CZ 4.33Å; L28-D280 HydrophobicContact CD1-CB 4.1Å; L28-Y283 HydrophobicContact CD1-CD2 3.89Å; L28-Y283 HydrophobicContact CD1-CE2 3.69Å
29	K	94.3	Very high	90.1	Very high	76 Å²	76	64.8 Å²	64.8	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-44.6	176.8	-176.4	178.9	175.2	-174	0	111.5	Y25 E26 N33 F48	Y25-K29 HydrophobicContact CE1-CD 3.94Å; Y25-K29 VanDerWaalsContact O-CB 3.24Å; Y25-K29 WeakPolarHBondContact O-CB 3.44Å; Y25-K29 PolarHBondContact O-N 3.17Å; E26-K29 PolarHBondContact O-N 2.59Å; K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 PolarHBondContact O-N 3.23Å; K29-N33 PolarHBondContact O-ND2 3.13Å; K29-F48 HydrophobicContact CB-CE1 4.04Å
30	Q	93.3	Very high	89.6	Confident	141 Å²	141	67.5 Å²	67.5	66%	0.659	35%	0.354	S	S	*	.	H	α-helix	trans	-62.2	-44.8	176.2	-70.2	177.3	12.1	0	0	111.6	E26 E27 L28 K34	E26-Q30 WeakPolarHBondContact O-CG 2.97Å; E26-Q30 PolarHBondContact O-N 3.18Å; E26-Q30 VanDerWaalsContact O-N 3.16Å; E27-Q30 PolarHBondContact O-N 2.78Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 2.66Å; Q30-K34 WeakPolarHBondContact O-CB 3.48Å; Q30-K34 PolarHBondContact O-N 3.05Å
31	V	90.5	Very high	88.6	Confident	45 Å²	45	72.6 Å²	72.6	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-42.6	-179.6	178.1	0	0	0	0	112	E27 L28 K34 Q35 S294	E27-V31 WeakPolarHBondContact O-CG2 3.05Å; E27-V31 PolarHBondContact O-N 3.49Å; L28-V31 PolarHBondContact O-N 3.1Å; L28-V31 VanDerWaalsContact O-N 3.17Å; V31-K34 PolarHBondContact O-N 3.47Å; V31-Q35 WeakPolarHBondContact O-CG 3.4Å; V31-Q35 PolarHBondContact O-N 3.17Å; V31-S294 WeakPolarHBondContact CG1-OG 3.44Å
32	I	89.7	Confident	87.5	Confident	7 Å²	7	77.1 Å²	77.1	4%	0.036	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-48.4	177.4	-73.1	169.1	0	0	0	110.2	L28 K34 Q35 M36 M44 F48 T292	L28-I32 WeakPolarHBondContact O-CB 3.15Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.29Å; L28-I32 PolarHBondContact O-N 3.38Å; I32-K34 VanDerWaalsContact C-N 3.28Å; I32-K34 PolarHBondContact O-N 2.68Å; I32-Q35 PolarHBondContact O-N 2.96Å; I32-Q35 VanDerWaalsContact O-N 3.16Å; I32-M36 HydrophobicContact CG2-CG 4.49Å; I32-M36 HydrophobicContact CG2-SD 4.05Å; I32-M36 WeakPolarHBondContact O-CG 3.36Å; I32-M36 PolarHBondContact O-N 2.86Å; I32-M44 HydrophobicContact CG2-SD 3.31Å; I32-M44 WeakPolarHBondContact CG2-SD 3.29Å; I32-F48 HydrophobicContact CD1-CB 4.25Å; I32-F48 HydrophobicContact CD1-CD1 3.98Å; I32-F48 HydrophobicContact CD1-CD2 3.63Å; I32-F48 HydrophobicContact CD1-CE1 4.22Å; I32-F48 HydrophobicContact CD1-CE2 3.87Å; I32-F48 HydrophobicContact CD1-CG 3.69Å; I32-F48 HydrophobicContact CD1-CZ 4.19Å; I32-T292 HydrophobicContact CD1-CG2 4.1Å; I32-T292 HydrophobicContact CG1-CG2 4.01Å
33	N	89.6	Confident	86.7	Confident	92 Å²	92	83.1 Å²	83.1	49%	0.492	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-40.9	178.7	-72.8	-11.7	0	0	0	111.8	K29 M36 A37	K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 PolarHBondContact O-N 3.23Å; K29-N33 PolarHBondContact O-ND2 3.13Å; N33-M36 PolarHBondContact O-N 3.33Å; N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 3.45Å
34	K	88.4	Confident	86.3	Confident	130 Å²	130	80 Å²	80	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-63.2	-45.5	175.5	-176.9	176.2	173.2	177.5	0	111.7	Q30 V31 I32 M36 A37 E38	Q30-K34 WeakPolarHBondContact O-CB 3.48Å; Q30-K34 PolarHBondContact O-N 3.05Å; V31-K34 PolarHBondContact O-N 3.47Å; I32-K34 VanDerWaalsContact C-N 3.28Å; I32-K34 PolarHBondContact O-N 2.68Å; K34-M36 VanDerWaalsContact C-N 3.34Å; K34-M36 PolarHBondContact O-N 2.03Å; K34-A37 PolarHBondContact O-N 3.35Å; K34-E38 WeakPolarHBondContact CE-OE1 3.22Å; K34-E38 IonicContact NZ-OE1 3.85Å; K34-E38 WeakPolarHBondContact O-CG 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å
35	Q	83.6	Confident	86.2	Confident	52 Å²	52	81.9 Å²	81.9	24%	0.243	43%	0.428	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178	-75.9	175.5	-1.5	0	0	112.5	V31 I32 A37 E38 N39	V31-Q35 WeakPolarHBondContact O-CG 3.4Å; V31-Q35 PolarHBondContact O-N 3.17Å; I32-Q35 PolarHBondContact O-N 2.96Å; I32-Q35 VanDerWaalsContact O-N 3.16Å; Q35-A37 VanDerWaalsContact C-N 3.33Å; Q35-E38 PolarHBondContact O-N 3.42Å; Q35-N39 PolarHBondContact O-N 3.1Å
36	M	83.5	Confident	86.1	Confident	82 Å²	82	81 Å²	81	40%	0.404	42%	0.424	S	S	.	.	H	α-helix	trans	-67.5	-33	176.4	-69	-179.1	66.1	0	0	112.5	I32 N33 K34 M44	I32-M36 HydrophobicContact CG2-CG 4.49Å; I32-M36 HydrophobicContact CG2-SD 4.05Å; I32-M36 WeakPolarHBondContact O-CG 3.36Å; I32-M36 PolarHBondContact O-N 2.86Å; N33-M36 PolarHBondContact O-N 3.33Å; K34-M36 VanDerWaalsContact C-N 3.34Å; K34-M36 PolarHBondContact O-N 2.03Å; M36-M44 HydrophobicContact CG-CG 4.48Å; M36-M44 HydrophobicContact SD-CG 4.05Å; M36-M44 HydrophobicContact SD-SD 4.13Å
37	A	86.5	Confident	86.1	Confident	84 Å²	84	83.3 Å²	83.3	69%	0.694	44%	0.435	S	S	*	.	H	α-helix	trans	-73.4	-33.8	176.3	0	0	0	0	0	112.9	N33 K34 Q35	N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 3.45Å; K34-A37 PolarHBondContact O-N 3.35Å; Q35-A37 VanDerWaalsContact C-N 3.33Å
38	E	84.7	Confident	86.1	Confident	136 Å²	136	81.3 Å²	81.3	64%	0.636	43%	0.425	S	S	*	.	H	α-helix	trans	-77.4	-23.3	-179.4	-73.3	174.5	172.8	0	0	113.4	K34 Q35	K34-E38 WeakPolarHBondContact CE-OE1 3.22Å; K34-E38 IonicContact NZ-OE1 3.85Å; K34-E38 WeakPolarHBondContact O-CG 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å; Q35-E38 PolarHBondContact O-N 3.42Å
39	N	77.8	Confident	86.2	Confident	80 Å²	80	81.8 Å²	81.8	43%	0.428	43%	0.43	S	S	.	.			trans	-133.7	90	-179.9	-169.3	-10.9	0	0	0	110.5	Q35 D41 H42	Q35-N39 PolarHBondContact O-N 3.1Å; N39-D41 PolarHBondContact O-N 3.02Å; N39-D41 VanDerWaalsContact O-N 3.13Å; N39-D41 PolarHBondContact OD1-N 2.85Å; N39-H42 HydrophobicContact CB-CB 3.79Å; N39-H42 WeakPolarHBondContact O-CB 3.4Å; N39-H42 PolarHBondContact O-N 3.49Å; N39-H42 PolarHBondContact OD1-N 2.92Å
40	A	68.1	Low	86.3	Confident	100 Å²	100	82 Å²	82	83%	0.826	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	-177.3	0	0	0	0	0	113.6
41	D	70.7	Confident	86.3	Confident	157 Å²	157	75.3 Å²	75.3	84%	0.84	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.5	176.5	-69.7	-18.9	0	0	0	112.8	N39 Q43	N39-D41 PolarHBondContact O-N 3.02Å; N39-D41 VanDerWaalsContact O-N 3.13Å; N39-D41 PolarHBondContact OD1-N 2.85Å; D41-Q43 PolarHBondContact O-N 3.15Å; D41-Q43 VanDerWaalsContact O-N 3.13Å
42	H	71.7	Confident	86.4	Confident	95 Å²	95	76.3 Å²	76.3	44%	0.44	41%	0.409	S	S	.	.			trans	-87.2	83.1	-178.9	-153.9	65.7	0	0	0	111.3	N39	N39-H42 HydrophobicContact CB-CB 3.79Å; N39-H42 WeakPolarHBondContact O-CB 3.4Å; N39-H42 PolarHBondContact O-N 3.49Å; N39-H42 PolarHBondContact OD1-N 2.92Å
43	Q	77.9	Confident	86.6	Confident	164 Å²	164	76.5 Å²	76.5	77%	0.766	41%	0.409	S	S	*	.			trans	-80.6	126.6	173.2	-161.2	175	14.3	0	0	110.8	D41 T45	D41-Q43 PolarHBondContact O-N 3.15Å; D41-Q43 VanDerWaalsContact O-N 3.13Å; Q43-T45 PolarHBondContact O-N 3.33Å
44	M	87.2	Confident	86.7	Confident	46 Å²	46	72.1 Å²	72.1	23%	0.227	39%	0.386	C	S	.	.			trans	-59.7	128.6	170.4	-84	-167.7	68.8	0	0	110.4	I32 M36 W46 F48	I32-M44 HydrophobicContact CG2-SD 3.31Å; I32-M44 WeakPolarHBondContact CG2-SD 3.29Å; M36-M44 HydrophobicContact CG-CG 4.48Å; M36-M44 HydrophobicContact SD-CG 4.05Å; M36-M44 HydrophobicContact SD-SD 4.13Å; M44-W46 VanDerWaalsContact C-N 3.25Å; M44-W46 HydrophobicContact CE-CD2 3.6Å; M44-W46 HydrophobicContact CE-CE3 4.19Å; M44-W46 HydrophobicContact CE-CG 3.97Å; M44-W46 HydrophobicContact CE-CH2 4.35Å; M44-W46 HydrophobicContact CE-CZ2 3.76Å; M44-W46 WeakPolarHBondContact CE-O 3.25Å; M44-W46 PolarHBondContact O-N 3.01Å; M44-F48 HydrophobicContact CE-CB 4.06Å
45	T	91.8	Very high	86.9	Confident	43 Å²	43	71.7 Å²	71.7	26%	0.264	39%	0.386	S	S	.	.	S	Bend	trans	-82.9	-2.6	179.1	52.7	0	0	0	0	113.3	Q43 G287 I288 M314	Q43-T45 PolarHBondContact O-N 3.33Å; T45-G287 CarbonylContact O-C 3.43Å; T45-I288 CarbonylContact C-O 3.47Å; T45-I288 WeakPolarHBondContact CB-O 3.49Å; T45-I288 PolarHBondContact O-N 3.21Å; T45-I288 PolarHBondContact OG1-O 3.47Å; T45-M314 HydrophobicContact CG2-CE 4.19Å; T45-M314 HydrophobicContact CG2-CG 4.09Å
46	W	94.8	Very high	87.2	Confident	14 Å²	14	70.9 Å²	70.9	5%	0.053	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.8	-177.9	62.2	-78.2	0	0	0	112	M44 F48 D280 Y284 S286 Y289 Q290 T292	M44-W46 VanDerWaalsContact C-N 3.25Å; M44-W46 HydrophobicContact CE-CD2 3.6Å; M44-W46 HydrophobicContact CE-CE3 4.19Å; M44-W46 HydrophobicContact CE-CG 3.97Å; M44-W46 HydrophobicContact CE-CH2 4.35Å; M44-W46 HydrophobicContact CE-CZ2 3.76Å; M44-W46 WeakPolarHBondContact CE-O 3.25Å; M44-W46 PolarHBondContact O-N 3.01Å; W46-F48 HydrophobicContact CE3-CB 4.48Å; W46-F48 HydrophobicContact CH2-CB 4.35Å; W46-F48 AromaticContact CH2-CD2 3.65Å; W46-F48 HydrophobicContact CH2-CD2 3.65Å; W46-F48 HydrophobicContact CH2-CG 4.5Å; W46-F48 HydrophobicContact CZ3-CB 4.02Å; W46-F48 AromaticContact CZ3-CD2 3.86Å; W46-F48 HydrophobicContact CZ3-CD2 3.86Å; W46-F48 HydrophobicContact CZ3-CG 4.45Å; W46-D280 HydrophobicContact CH2-CB 4.14Å; W46-D280 WeakPolarHBondContact CH2-O 3.07Å; W46-D280 HydrophobicContact CZ2-CB 4.37Å; W46-Y284 HydrophobicContact CB-CD2 4.26Å; W46-Y284 HydrophobicContact CB-CE2 4.14Å; W46-Y284 HydrophobicContact CD2-CD2 4.4Å; W46-Y284 AromaticContact CE3-CD2 3.92Å; W46-Y284 HydrophobicContact CE3-CD2 3.92Å; W46-S286 CarbonylContact C-O 3.4Å; W46-S286 VanDerWaalsContact CA-O 3.25Å; W46-S286 WeakPolarHBondContact CA-O 3.36Å; W46-S286 VanDerWaalsContact CB-O 3.31Å; W46-S286 WeakPolarHBondContact CB-O 3.32Å; W46-Y289 HydrophobicContact CD2-CD2 4.1Å; W46-Y289 AromaticContact CE2-CD2 3.85Å; W46-Y289 HydrophobicContact CE3-CD2 4.45Å; W46-Y289 HydrophobicContact CH2-CD2 4.33Å; W46-Y289 HydrophobicContact CH2-CE2 4.29Å; W46-Y289 AromaticContact CZ2-CD2 3.98Å; W46-Y289 HydrophobicContact CZ2-CD2 3.98Å; W46-Y289 AromaticContact CZ2-CE2 3.95Å; W46-Y289 HydrophobicContact CZ2-CE2 3.95Å; W46-Q290 PolarHBondContact NE1-O 3.5Å; W46-T292 HydrophobicContact CZ2-CG2 4.06Å
47	Q	94.9	Very high	87.7	Confident	128 Å²	128	67 Å²	67	60%	0.598	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.6	177.7	-66.6	-172.9	2.2	0	0	110.4	K285 S286	Q47-K285 HydrophobicContact CB-CB 4.19Å; Q47-K285 WeakPolarHBondContact O-CB 3.4Å; Q47-K285 PolarHBondContact O-N 3.25Å; Q47-S286 PolarHBondContact N-O 2.9Å; Q47-S286 PolarHBondContact OE1-OG 3.41Å
48	F	95.5	Very high	87.9	Confident	36 Å²	36	64.3 Å²	64.3	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.5	173.6	179.8	-101.7	0	0	0	110.7	Y25 L28 K29 I32 M44 W46 Y283	Y25-F48 HydrophobicContact CD2-CD1 4.31Å; Y25-F48 AromaticContact CD2-CE1 3.41Å; Y25-F48 HydrophobicContact CD2-CE1 3.41Å; Y25-F48 VanDerWaalsContact CD2-CE1 3.41Å; Y25-F48 AromaticContact CD2-CZ 3.57Å; Y25-F48 HydrophobicContact CD2-CZ 3.57Å; Y25-F48 AromaticContact CE2-CD1 3.69Å; Y25-F48 HydrophobicContact CE2-CD1 3.69Å; Y25-F48 AromaticContact CE2-CE1 3.19Å; Y25-F48 HydrophobicContact CE2-CE1 3.19Å; Y25-F48 AromaticContact CE2-CZ 3.82Å; Y25-F48 HydrophobicContact CE2-CZ 3.82Å; Y25-F48 HydrophobicContact CG-CE1 4.33Å; Y25-F48 HydrophobicContact CG-CZ 4.46Å; Y25-F48 AromaticContact CZ-CE1 3.98Å; L28-F48 HydrophobicContact CB-CE1 4.44Å; L28-F48 HydrophobicContact CB-CE2 4.08Å; L28-F48 HydrophobicContact CB-CZ 3.61Å; L28-F48 HydrophobicContact CD1-CE2 4.18Å; L28-F48 HydrophobicContact CD1-CZ 4.33Å; K29-F48 HydrophobicContact CB-CE1 4.04Å; I32-F48 HydrophobicContact CD1-CB 4.25Å; I32-F48 HydrophobicContact CD1-CD1 3.98Å; I32-F48 HydrophobicContact CD1-CD2 3.63Å; I32-F48 HydrophobicContact CD1-CE1 4.22Å; I32-F48 HydrophobicContact CD1-CE2 3.87Å; I32-F48 HydrophobicContact CD1-CG 3.69Å; I32-F48 HydrophobicContact CD1-CZ 4.19Å; M44-F48 HydrophobicContact CE-CB 4.06Å; W46-F48 HydrophobicContact CE3-CB 4.48Å; W46-F48 HydrophobicContact CH2-CB 4.35Å; W46-F48 AromaticContact CH2-CD2 3.65Å; W46-F48 HydrophobicContact CH2-CD2 3.65Å; W46-F48 HydrophobicContact CH2-CG 4.5Å; W46-F48 HydrophobicContact CZ3-CB 4.02Å; W46-F48 AromaticContact CZ3-CD2 3.86Å; W46-F48 HydrophobicContact CZ3-CD2 3.86Å; W46-F48 HydrophobicContact CZ3-CG 4.45Å; F48-Y283 HydrophobicContact CD2-CG 4.33Å; F48-Y283 AromaticContact CE2-CD2 3.5Å; F48-Y283 HydrophobicContact CE2-CD2 3.5Å; F48-Y283 HydrophobicContact CE2-CE2 4.48Å; F48-Y283 AromaticContact CE2-CG 3.55Å; F48-Y283 HydrophobicContact CE2-CG 3.55Å; F48-Y283 HydrophobicContact CZ-CD1 4.49Å; F48-Y283 AromaticContact CZ-CD2 3.9Å; F48-Y283 HydrophobicContact CZ-CD2 3.9Å; F48-Y283 AromaticContact CZ-CG 3.86Å; F48-Y283 HydrophobicContact CZ-CG 3.86Å
49	G	96.5	Very high	88.2	Confident	10 Å²	10	63.1 Å²	63.1	10%	0.103	34%	0.341	C	S	.	.			trans	-172.6	160.7	-177.9	0	0	0	0	0	114	Y283	G49-Y283 PolarHBondContact N-O 2.95Å; G49-Y283 CarbonylContact O-C 3.57Å; G49-Y283 VanDerWaalsContact O-C 3.31Å; G49-Y283 WeakPolarHBondContact O-CA 3.04Å; G49-Y283 WeakPolarHBondContact O-CB 3.43Å
50	K	95.7	Very high	88.7	Confident	80 Å²	80	65.5 Å²	65.5	35%	0.348	35%	0.347	S	S	.	.			trans	-64.6	142	177	-65.9	-173.8	-178.3	-176.1	0	112.1	Y21 Y25 K285	Y21-K50 HydrophobicContact CE1-CB 4.18Å; Y21-K50 HydrophobicContact CE1-CG 4.22Å; Y25-K50 HydrophobicContact CD1-CD 4.31Å; Y25-K50 HydrophobicContact CD1-CG 4.08Å; Y25-K50 HydrophobicContact CD2-CG 3.79Å; Y25-K50 HydrophobicContact CE1-CG 4.24Å; Y25-K50 HydrophobicContact CE2-CG 3.98Å; Y25-K50 HydrophobicContact CG-CD 4.42Å; Y25-K50 HydrophobicContact CG-CG 3.84Å; K50-K285 WeakPolarHBondContact O-CD 3.23Å; K50-K285 PolarHBondContact O-NZ 2.87Å
51	N	93.5	Very high	89.8	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.309	C	S	.	.			trans	-121.8	122.6	-178.8	-160	-70.5	0	0	0	109.2	Y21 Y53 F54 E55 T326 F327 G328	Y21-N51 WeakPolarHBondContact OH-CB 3.5Å; Y21-N51 PolarHBondContact OH-N 3.13Å; Y21-N51 PolarHBondContact OH-O 3.45Å; N51-Y53 PolarHBondContact O-N 2.77Å; N51-Y53 VanDerWaalsContact O-N 3.12Å; N51-Y53 VanDerWaalsContact OD1-CB 3.26Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.29Å; N51-Y53 PolarHBondContact OD1-N 2.92Å; N51-Y53 VanDerWaalsContact OD1-N 3.08Å; N51-F54 HydrophobicContact CB-CD2 4.48Å; N51-F54 PolarHBondContact O-N 2.97Å; N51-E55 PolarHBondContact O-N 3.09Å; N51-T326 PolarHBondContact ND2-O 3.16Å; N51-T326 VanDerWaalsContact ND2-O 3.09Å; N51-T326 PolarHBondContact OD1-O 3.05Å; N51-F327 VanDerWaalsContact ND2-CA 3.3Å; N51-F327 WeakPolarHBondContact ND2-CA 3.36Å; N51-F327 WeakPolarHBondContact OD1-CA 3.18Å; N51-G328 PolarHBondContact ND2-N 3.41Å
52	S	92.3	Very high	90.8	Very high	65 Å²	65	53.5 Å²	53.5	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.2	-177.7	54.3	0	0	0	0	112.9	F54 T326	S52-F54 PolarHBondContact O-N 3.25Å; S52-T326 VanDerWaalsContact OG-CB 3.29Å; S52-T326 WeakPolarHBondContact OG-CB 3.46Å; S52-T326 PolarHBondContact OG-OG1 3.19Å
53	Y	93	Very high	91.7	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.047	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.7	174.9	-174.5	-102.5	0	0	0	113.3	N51 M57 R65 W323 N324	N51-Y53 PolarHBondContact O-N 2.77Å; N51-Y53 VanDerWaalsContact O-N 3.12Å; N51-Y53 VanDerWaalsContact OD1-CB 3.26Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.29Å; N51-Y53 PolarHBondContact OD1-N 2.92Å; N51-Y53 VanDerWaalsContact OD1-N 3.08Å; Y53-M57 WeakPolarHBondContact O-CE 3.28Å; Y53-R65 PolarHBondContact OH-NE 3.32Å; Y53-W323 HydrophobicContact CD1-CB 3.72Å; Y53-W323 HydrophobicContact CD1-CG 4.11Å; Y53-W323 HydrophobicContact CD2-CB 4.23Å; Y53-W323 WeakPolarHBondContact CD2-O 3.31Å; Y53-W323 HydrophobicContact CE1-CB 3.35Å; Y53-W323 AromaticContact CE1-CD1 3.8Å; Y53-W323 HydrophobicContact CE1-CD2 4.04Å; Y53-W323 AromaticContact CE1-CG 3.42Å; Y53-W323 HydrophobicContact CE1-CG 3.42Å; Y53-W323 VanDerWaalsContact CE1-CG 3.42Å; Y53-W323 HydrophobicContact CE2-CB 3.93Å; Y53-W323 WeakPolarHBondContact CE2-O 3.37Å; Y53-W323 HydrophobicContact CG-CB 4.13Å; Y53-W323 VanDerWaalsContact CZ-CB 3.47Å; Y53-W323 AromaticContact CZ-CD1 3.88Å; Y53-W323 AromaticContact CZ-CG 3.77Å; Y53-N324 VanDerWaalsContact CD2-ND2 3.32Å; Y53-N324 WeakPolarHBondContact CD2-ND2 3.41Å
54	F	93.5	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	0.6	-176	-66.3	-68	0	0	0	113.5	Y21 N51 S52 G56 M57 I62 I282 W323 F327	Y21-F54 WeakPolarHBondContact CB-O 3.45Å; Y21-F54 HydrophobicContact CD2-CB 3.6Å; Y21-F54 HydrophobicContact CE1-CB 4.41Å; Y21-F54 HydrophobicContact CE2-CB 3.33Å; Y21-F54 HydrophobicContact CE2-CD2 4.46Å; Y21-F54 HydrophobicContact CE2-CG 4.21Å; Y21-F54 HydrophobicContact CG-CB 4.24Å; Y21-F54 VanDerWaalsContact CG-O 3.24Å; N51-F54 HydrophobicContact CB-CD2 4.48Å; N51-F54 PolarHBondContact O-N 2.97Å; S52-F54 PolarHBondContact O-N 3.25Å; F54-G56 PolarHBondContact O-N 3.19Å; F54-M57 HydrophobicContact CD1-SD 3.89Å; F54-M57 VanDerWaalsContact O-CB 3.32Å; F54-M57 WeakPolarHBondContact O-CB 3.2Å; F54-M57 PolarHBondContact O-N 3Å; F54-M57 VanDerWaalsContact O-N 3.11Å; F54-I62 HydrophobicContact CD1-CG1 3.9Å; F54-I62 HydrophobicContact CE1-CG1 4.47Å; F54-I62 HydrophobicContact CE1-CG2 4.33Å; F54-I282 HydrophobicContact CD2-CB 3.69Å; F54-I282 HydrophobicContact CD2-CG2 4.27Å; F54-I282 WeakPolarHBondContact CD2-O 3.22Å; F54-I282 HydrophobicContact CE1-CG2 4.23Å; F54-I282 HydrophobicContact CE2-CB 3.65Å; F54-I282 HydrophobicContact CE2-CG2 3.82Å; F54-I282 HydrophobicContact CG-CB 4.21Å; F54-I282 HydrophobicContact CZ-CB 4.14Å; F54-I282 HydrophobicContact CZ-CG2 3.79Å; F54-W323 HydrophobicContact CE2-CD2 4.46Å; F54-W323 AromaticContact CE2-CE3 3.69Å; F54-W323 HydrophobicContact CE2-CE3 3.69Å; F54-W323 AromaticContact CE2-CZ3 3.88Å; F54-W323 HydrophobicContact CE2-CZ3 3.88Å; F54-W323 AromaticContact CZ-CD2 3.83Å; F54-W323 HydrophobicContact CZ-CD2 3.83Å; F54-W323 AromaticContact CZ-CE3 3.4Å; F54-W323 HydrophobicContact CZ-CE3 3.4Å; F54-W323 HydrophobicContact CZ-CH2 4.1Å; F54-W323 HydrophobicContact CZ-CZ2 4.44Å; F54-W323 AromaticContact CZ-CZ3 3.56Å; F54-W323 HydrophobicContact CZ-CZ3 3.56Å; F54-F327 AromaticContact CE2-CD2 3.88Å; F54-F327 HydrophobicContact CE2-CD2 3.88Å; F54-F327 AromaticContact CE2-CE2 3.99Å; F54-F327 HydrophobicContact CE2-CE2 3.99Å
55	E	91.7	Very high	92.4	Very high	121 Å²	121	40.5 Å²	40.5	57%	0.565	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	133.3	-176.9	-172.2	165.3	-157	0	0	111.2	N51 M57	N51-E55 PolarHBondContact O-N 3.09Å; E55-M57 PolarHBondContact O-N 3.12Å; E55-M57 VanDerWaalsContact O-N 3.17Å
56	G	91	Very high	92.3	Very high	34 Å²	34	38.5 Å²	38.5	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	3.7	-177	0	0	0	0	0	115.8	E22 F54	E22-G56 PolarHBondContact OE1-N 3.12Å; F54-G56 PolarHBondContact O-N 3.19Å
57	M	92.2	Very high	91.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.221	C	C	.	.			trans	-78.8	137.7	180	-69.4	-170.6	-173.6	0	0	112.4	Y21 Y53 F54 E55 E61 I62 R65 E219	Y21-M57 PolarHBondContact N-O 3.43Å; Y53-M57 WeakPolarHBondContact O-CE 3.28Å; F54-M57 HydrophobicContact CD1-SD 3.89Å; F54-M57 VanDerWaalsContact O-CB 3.32Å; F54-M57 WeakPolarHBondContact O-CB 3.2Å; F54-M57 PolarHBondContact O-N 3Å; F54-M57 VanDerWaalsContact O-N 3.11Å; E55-M57 PolarHBondContact O-N 3.12Å; E55-M57 VanDerWaalsContact O-N 3.17Å; M57-E61 HydrophobicContact CB-CB 4.03Å; M57-E61 HydrophobicContact CG-CB 4.24Å; M57-E61 HydrophobicContact SD-CB 4.3Å; M57-I62 HydrophobicContact CB-CD1 4.34Å; M57-I62 HydrophobicContact CB-CG1 3.91Å; M57-I62 HydrophobicContact SD-CG1 4.42Å; M57-R65 VanDerWaalsContact CE-CZ 3.42Å; M57-R65 VanDerWaalsContact CE-NH2 3.32Å; M57-E219 WeakPolarHBondContact CE-O 3.36Å
58	S	92.2	Very high	91.4	Very high	28 Å²	28	37.7 Å²	37.7	20%	0.196	19%	0.193	C	C	.	.			trans	-67.5	161	165.9	68.8	0	0	0	0	112	K60 E61 I62	S58-K60 PolarHBondContact O-N 3.29Å; S58-K60 VanDerWaalsContact O-N 3.16Å; S58-E61 WeakPolarHBondContact CB-OE2 3.37Å; S58-E61 PolarHBondContact N-OE2 3.41Å; S58-E61 PolarHBondContact O-N 3.16Å; S58-E61 VanDerWaalsContact O-N 3.12Å; S58-E61 VanDerWaalsContact OG-CG 3.28Å; S58-E61 WeakPolarHBondContact OG-CG 3.33Å; S58-E61 PolarHBondContact OG-N 2.86Å; S58-E61 PolarHBondContact OG-OE2 2.81Å; S58-I62 PolarHBondContact O-N 3.32Å; S58-I62 VanDerWaalsContact O-N 3.1Å
59	K	90.9	Very high	91.1	Very high	111 Å²	111	36.4 Å²	36.4	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-55.1	-35.3	172.8	-171.1	176.2	-179.4	-177.9	0	112.4	Y20 A63	Y20-K59 VanDerWaalsContact CD1-CA 3.41Å; Y20-K59 HydrophobicContact CD1-CB 3.59Å; Y20-K59 HydrophobicContact CD1-CG 4.3Å; Y20-K59 VanDerWaalsContact CD1-N 3.3Å; Y20-K59 HydrophobicContact CD2-CB 3.9Å; Y20-K59 HydrophobicContact CE1-CB 3.61Å; Y20-K59 HydrophobicContact CE1-CD 4.45Å; Y20-K59 HydrophobicContact CE1-CG 3.79Å; Y20-K59 HydrophobicContact CE2-CB 3.95Å; Y20-K59 HydrophobicContact CE2-CD 3.93Å; Y20-K59 HydrophobicContact CE2-CG 4.12Å; Y20-K59 HydrophobicContact CG-CB 3.72Å; K59-A63 VanDerWaalsContact O-CB 3.31Å; K59-A63 WeakPolarHBondContact O-CB 3.27Å; K59-A63 PolarHBondContact O-N 2.83Å
60	K	88.5	Confident	90.5	Very high	130 Å²	130	37.4 Å²	37.4	57%	0.565	19%	0.189	S	C	*	.	H	α-helix	trans	-65.4	-46.2	179.4	-174.2	-177	174.1	-162.2	0	110.4	S58 A63 L64 E222	S58-K60 PolarHBondContact O-N 3.29Å; S58-K60 VanDerWaalsContact O-N 3.16Å; K60-A63 WeakPolarHBondContact O-CB 3.39Å; K60-A63 PolarHBondContact O-N 2.87Å; K60-L64 WeakPolarHBondContact O-CG 3.47Å; K60-L64 PolarHBondContact O-N 2.9Å; K60-E222 VanDerWaalsContact CE-O 3.25Å; K60-E222 WeakPolarHBondContact CE-O 3.26Å; K60-E222 PolarHBondContact NZ-O 2.91Å
61	E	91	Very high	89.4	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-41.3	179.5	-70.6	171.5	104.7	0	0	113	M57 S58 A63 L64 R65 C221	M57-E61 HydrophobicContact CB-CB 4.03Å; M57-E61 HydrophobicContact CG-CB 4.24Å; M57-E61 HydrophobicContact SD-CB 4.3Å; S58-E61 WeakPolarHBondContact CB-OE2 3.37Å; S58-E61 PolarHBondContact N-OE2 3.41Å; S58-E61 PolarHBondContact O-N 3.16Å; S58-E61 VanDerWaalsContact O-N 3.12Å; S58-E61 VanDerWaalsContact OG-CG 3.28Å; S58-E61 WeakPolarHBondContact OG-CG 3.33Å; S58-E61 PolarHBondContact OG-N 2.86Å; S58-E61 PolarHBondContact OG-OE2 2.81Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-L64 WeakPolarHBondContact O-CB 3.44Å; E61-L64 PolarHBondContact O-N 2.78Å; E61-R65 PolarHBondContact O-NH1 3.45Å; E61-C221 WeakPolarHBondContact CG-O 3.44Å; E61-C221 PolarHBondContact OE1-N 3.43Å
62	I	91.8	Very high	87.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-46	173.3	-67.5	161.1	0	0	0	109.6	Y20 Y21 F54 M57 S58 L64 R65 T66 I282 L298	Y20-I62 HydrophobicContact CD1-CD1 3.73Å; Y20-I62 HydrophobicContact CE1-CD1 3.8Å; Y21-I62 HydrophobicContact CD2-CD1 4.22Å; F54-I62 HydrophobicContact CD1-CG1 3.9Å; F54-I62 HydrophobicContact CE1-CG1 4.47Å; F54-I62 HydrophobicContact CE1-CG2 4.33Å; M57-I62 HydrophobicContact CB-CD1 4.34Å; M57-I62 HydrophobicContact CB-CG1 3.91Å; M57-I62 HydrophobicContact SD-CG1 4.42Å; S58-I62 PolarHBondContact O-N 3.32Å; S58-I62 VanDerWaalsContact O-N 3.1Å; I62-L64 PolarHBondContact O-N 2.81Å; I62-R65 WeakPolarHBondContact O-CB 3.44Å; I62-R65 PolarHBondContact O-N 2.95Å; I62-T66 HydrophobicContact CG2-CG2 4.46Å; I62-T66 PolarHBondContact O-N 3.26Å; I62-I282 HydrophobicContact CD1-CD1 3.8Å; I62-I282 HydrophobicContact CG2-CD1 4.28Å; I62-I282 HydrophobicContact CG2-CG2 4.02Å; I62-L298 HydrophobicContact CG2-CD1 3.82Å
63	A	88.9	Confident	85.3	Confident	12 Å²	12	49.4 Å²	49.4	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-26.8	-178.8	0	0	0	0	0	113.6	K59 K60 E61 R65 T66 K67	K59-A63 VanDerWaalsContact O-CB 3.31Å; K59-A63 WeakPolarHBondContact O-CB 3.27Å; K59-A63 PolarHBondContact O-N 2.83Å; K60-A63 WeakPolarHBondContact O-CB 3.39Å; K60-A63 PolarHBondContact O-N 2.87Å; E61-A63 VanDerWaalsContact C-N 3.32Å; A63-R65 PolarHBondContact O-N 3.38Å; A63-T66 PolarHBondContact O-N 2.93Å; A63-T66 PolarHBondContact O-OG1 3.39Å; A63-K67 HydrophobicContact CB-CD 4.4Å; A63-K67 WeakPolarHBondContact O-CB 3.21Å; A63-K67 WeakPolarHBondContact O-CD 3.35Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; A63-K67 PolarHBondContact O-N 2.96Å
64	L	88.6	Confident	82.8	Confident	20 Å²	20	52.4 Å²	52.4	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-32	174.9	-60	-178	0	0	0	112.4	K60 E61 I62 N119 Y223 T224	K60-L64 WeakPolarHBondContact O-CG 3.47Å; K60-L64 PolarHBondContact O-N 2.9Å; E61-L64 WeakPolarHBondContact O-CB 3.44Å; E61-L64 PolarHBondContact O-N 2.78Å; I62-L64 PolarHBondContact O-N 2.81Å; L64-N119 HydrophobicContact CD1-CB 4.42Å; L64-Y223 VanDerWaalsContact CD1-C 3.41Å; L64-Y223 WeakPolarHBondContact CD1-O 3.38Å; L64-T224 VanDerWaalsContact CD2-OG1 3.22Å; L64-T224 WeakPolarHBondContact CD2-OG1 3.38Å
65	R	91.4	Very high	80.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-84.4	-24.3	-177.9	-70.9	154.4	173	85.9	-0.1	112.7	Y53 M57 E61 I62 A63 Q117 S118 C218	Y53-R65 PolarHBondContact OH-NE 3.32Å; M57-R65 VanDerWaalsContact CE-CZ 3.42Å; M57-R65 VanDerWaalsContact CE-NH2 3.32Å; E61-R65 PolarHBondContact O-NH1 3.45Å; I62-R65 WeakPolarHBondContact O-CB 3.44Å; I62-R65 PolarHBondContact O-N 2.95Å; A63-R65 PolarHBondContact O-N 3.38Å; R65-Q117 PolarHBondContact O-NE2 3.22Å; R65-S118 WeakPolarHBondContact CG-O 3.46Å; R65-C218 PolarHBondContact NH2-O 2.77Å
66	T	90.5	Very high	77.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-104	10.1	-174.4	67.3	0	0	0	0	113.7	I62 A63 V277 L298 G299 L300 W323	I62-T66 HydrophobicContact CG2-CG2 4.46Å; I62-T66 PolarHBondContact O-N 3.26Å; A63-T66 PolarHBondContact O-N 2.93Å; A63-T66 PolarHBondContact O-OG1 3.39Å; T66-V277 HydrophobicContact CG2-CB 4.13Å; T66-V277 HydrophobicContact CG2-CG1 3.72Å; T66-V277 HydrophobicContact CG2-CG2 4.36Å; T66-L298 HydrophobicContact CG2-CB 4.49Å; T66-L298 PolarHBondContact OG1-O 2.7Å; T66-G299 CarbonylContact O-C 3.14Å; T66-G299 WeakPolarHBondContact O-CA 3.31Å; T66-L300 CarbonylContact C-O 3.43Å; T66-L300 CarbonylContact O-C 3.36Å; T66-L300 PolarHBondContact O-N 3.46Å; T66-W323 HydrophobicContact CG2-CH2 4.16Å; T66-W323 HydrophobicContact CG2-CZ2 3.97Å
67	K	83.7	Confident	75.6	Confident	125 Å²	125	56.9 Å²	56.9	54%	0.543	27%	0.269	S	S	.	.			trans	-113.5	24	-179.2	-75.4	176.3	177.2	179	0	113.2	A63	A63-K67 HydrophobicContact CB-CD 4.4Å; A63-K67 WeakPolarHBondContact O-CB 3.21Å; A63-K67 WeakPolarHBondContact O-CD 3.35Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; A63-K67 PolarHBondContact O-N 2.96Å
68	G	87.2	Confident	73.1	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.307	C	S	.	.			trans	-84.9	-6.5	-171.7	0	0	0	0	0	115	G121 C123 W124 G183 G184 L300	G68-G121 WeakPolarHBondContact CA-O 2.98Å; G68-C123 VanDerWaalsContact C-SG 3.6Å; G68-C123 WeakPolarHBondContact CA-SG 3.48Å; G68-W124 WeakPolarHBondContact O-CB 3.25Å; G68-G183 CarbonylContact O-C 3.08Å; G68-G183 WeakPolarHBondContact O-CA 3.14Å; G68-G184 PolarHBondContact O-N 3.44Å; G68-L300 PolarHBondContact N-O 3.48Å
69	V	88.9	Confident	70.7	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-111.5	132	178.7	175.8	0	0	0	0	111	I71 G184 A274 L300 A302 M348	V69-I71 HydrophobicContact CG1-CG1 4.46Å; V69-G184 WeakPolarHBondContact CA-O 3.42Å; V69-A274 HydrophobicContact CG1-CB 4.02Å; V69-A274 HydrophobicContact CG2-CB 4.22Å; V69-L300 HydrophobicContact CB-CB 3.7Å; V69-L300 HydrophobicContact CG1-CB 4.21Å; V69-L300 PolarHBondContact N-O 3.19Å; V69-A302 HydrophobicContact CG2-CB 3.48Å; V69-A302 VanDerWaalsContact CG2-CB 3.48Å; V69-A302 VanDerWaalsContact CG2-N 3.33Å; V69-M348 HydrophobicContact CG1-CE 3.22Å
70	K	83.7	Confident	68.4	Low	31 Å²	31	69.8 Å²	69.8	14%	0.135	33%	0.331	C	S	.	.			trans	-104.4	147.1	170	-65.4	-179.7	-177.3	170.3	0	110.3	D162 N182 G183 G184 Y185	K70-D162 IonicContact NZ-OD1 3.21Å; K70-D162 PolarHBondContact NZ-OD1 3.04Å; K70-D162 IonicContact NZ-OD2 3.18Å; K70-D162 PolarHBondContact NZ-OD2 3.39Å; K70-N182 WeakPolarHBondContact CE-O 3.23Å; K70-G183 WeakPolarHBondContact CE-O 3.44Å; K70-G183 PolarHBondContact NZ-O 3.49Å; K70-G183 VanDerWaalsContact NZ-O 3.12Å; K70-G184 PolarHBondContact N-O 2.88Å; K70-Y185 HydrophobicContact CB-CD1 3.9Å; K70-Y185 HydrophobicContact CB-CE1 3.36Å; K70-Y185 HydrophobicContact CB-CE2 4.03Å; K70-Y185 HydrophobicContact CB-CG 4.44Å; K70-Y185 VanDerWaalsContact CB-CZ 3.42Å; K70-Y185 HydrophobicContact CD-CE2 4.17Å; K70-Y185 VanDerWaalsContact O-CD1 3.23Å; K70-Y185 WeakPolarHBondContact O-CD1 3.43Å; K70-Y185 WeakPolarHBondContact O-CE1 3.36Å
71	I	72	Confident	66.7	Low	65 Å²	65	64.2 Å²	64.2	33%	0.333	31%	0.307	S	S	.	.			trans	-129.6	118	173.6	-56	177.9	0	0	0	106.3	V69 L300 M347 M348	V69-I71 HydrophobicContact CG1-CG1 4.46Å; I71-L300 HydrophobicContact CD1-CD1 3.39Å; I71-L300 HydrophobicContact CG1-CD1 3.69Å; I71-M347 HydrophobicContact CD1-CE 3.36Å; I71-M348 HydrophobicContact CG1-CE 4.14Å
72	K	58.1	Low	65	Low	105 Å²	105	72.5 Å²	72.5	46%	0.457	34%	0.343	S	S	.	.			trans	-85.5	117.5	162.7	-80.9	-174	174.7	-174.2	0	106.5	D74 Y185	K72-D74 PolarHBondContact O-N 3.29Å; K72-Y185 HydrophobicContact CB-CE1 4.49Å; K72-Y185 HydrophobicContact CG-CE1 4.07Å
73	W	42.6	Very low	63.2	Low	229 Å²	229	78 Å²	78	87%	0.867	37%	0.372	S	S	*	.			trans	-75.6	0.2	173.8	-80.7	91.7	0	0	0	112.7
74	D	40.9	Very low	61.5	Low	75 Å²	75	78.6 Å²	78.6	40%	0.401	38%	0.377	S	S	.	.	S	Bend	trans	-78.5	144.4	171	86.8	43.7	0	0	0	111	K72 E76	K72-D74 PolarHBondContact O-N 3.29Å; D74-E76 PolarHBondContact O-N 2.66Å; D74-E76 VanDerWaalsContact O-N 3.11Å; D74-E76 WeakPolarHBondContact OD1-CB 3.08Å; D74-E76 PolarHBondContact OD1-N 2.94Å
75	S	38.8	Very low	59.3	Low	94 Å²	94	82.9 Å²	82.9	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-66.4	-6.6	-174.7	51.4	0	0	0	0	114.5	S79	S75-S79 WeakPolarHBondContact O-CB 3.34Å; S75-S79 PolarHBondContact O-N 2.66Å; S75-S79 PolarHBondContact O-OG 3.03Å
76	E	42.1	Very low	57	Low	113 Å²	113	86.7 Å²	86.7	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-80.1	-24.8	-176.8	-77.5	-164	153.8	0	0	113.6	D74 S79 R80	D74-E76 PolarHBondContact O-N 2.66Å; D74-E76 VanDerWaalsContact O-N 3.11Å; D74-E76 WeakPolarHBondContact OD1-CB 3.08Å; D74-E76 PolarHBondContact OD1-N 2.94Å; E76-S79 WeakPolarHBondContact CA-OG 3.49Å; E76-S79 PolarHBondContact O-OG 3.03Å; E76-R80 WeakPolarHBondContact O-CG 3.08Å; E76-R80 PolarHBondContact O-N 3.02Å
77	H	43.3	Very low	54.7	Low	42 Å²	42	93.7 Å²	93.7	19%	0.194	47%	0.466	C	S	.	.	H	α-helix	trans	-82.2	-37.2	179.2	-91	73.2	0	0	0	113.2	S79 R80	H77-S79 VanDerWaalsContact C-N 3.32Å; H77-R80 PolarHBondContact O-N 2.96Å
78	E	40.2	Very low	52.5	Low	171 Å²	171	93.8 Å²	93.8	80%	0.799	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-39.3	168.5	-78.7	-173.3	163.4	0	0	111.1	R80 M81	E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.38Å; E78-M81 PolarHBondContact O-N 3.16Å
79	S	41.3	Very low	50.5	Low	89 Å²	89	99.5 Å²	99.5	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-26	179.3	73.2	0	0	0	0	113.9	S75 E76 H77	S75-S79 WeakPolarHBondContact O-CB 3.34Å; S75-S79 PolarHBondContact O-N 2.66Å; S75-S79 PolarHBondContact O-OG 3.03Å; E76-S79 WeakPolarHBondContact CA-OG 3.49Å; E76-S79 PolarHBondContact O-OG 3.03Å; H77-S79 VanDerWaalsContact C-N 3.32Å
80	R	43.8	Very low	48.3	Very low	151 Å²	151	106.1 Å²	106.1	57%	0.57	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.6	178.5	-65.9	171.4	178.9	-155	1.5	113.9	E76 H77 E78 K191	E76-R80 WeakPolarHBondContact O-CG 3.08Å; E76-R80 PolarHBondContact O-N 3.02Å; H77-R80 PolarHBondContact O-N 2.96Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.38Å; R80-K191 VanDerWaalsContact O-CE 3.23Å; R80-K191 WeakPolarHBondContact O-CE 3.02Å; R80-K191 PolarHBondContact O-NZ 3.16Å
81	M	52.7	Low	46.8	Very low	13 Å²	13	110 Å²	110	6%	0.064	57%	0.568	C	S	.	*	S	Bend	trans	-107.6	115.7	171	-72.1	-126.5	54.4	0	0	106.6	E78 L83 A187 P252 F253 C254	E78-M81 PolarHBondContact O-N 3.16Å; M81-L83 PolarHBondContact O-N 2.88Å; M81-A187 HydrophobicContact CG-CB 4.24Å; M81-A187 HydrophobicContact SD-CB 3.34Å; M81-A187 WeakPolarHBondContact SD-CB 3.42Å; M81-P252 HydrophobicContact CE-CB 3.62Å; M81-P252 HydrophobicContact CE-CG 4.37Å; M81-P252 WeakPolarHBondContact CE-O 3.28Å; M81-F253 VanDerWaalsContact CE-CA 3.42Å; M81-C254 PolarHBondContact SD-SG 3.37Å
82	K	53.9	Low	46.3	Very low	178 Å²	178	115 Å²	115	77%	0.774	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-56.2	112.3	172.2	-74.8	-177.1	177.3	-178.7	0	106.4	A84	K82-A84 PolarHBondContact O-N 3.1Å
83	L	54	Low	47.1	Very low	117 Å²	117	117.3 Å²	117.3	61%	0.613	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-52.6	120.2	160.4	-143.9	89.3	0	0	0	103.7	M81 S85 A256	M81-L83 PolarHBondContact O-N 2.88Å; L83-S85 PolarHBondContact O-N 3.2Å; L83-A256 HydrophobicContact CD1-CB 4.35Å; L83-A256 HydrophobicContact CD2-CB 3.93Å; L83-A256 HydrophobicContact CG-CB 4.28Å
84	A	53.8	Low	49.1	Very low	24 Å²	24	107 Å²	107	20%	0.198	56%	0.56	C	S	.	*			trans	-54.3	114.7	176.2	0	0	0	0	0	105.7	K82 N86 F253 C254 L255	K82-A84 PolarHBondContact O-N 3.1Å; A84-N86 PolarHBondContact O-N 3.45Å; A84-F253 HydrophobicContact CB-CB 4.36Å; A84-F253 HydrophobicContact CB-CD2 4.15Å; A84-F253 HydrophobicContact CB-CG 4.44Å; A84-C254 PolarHBondContact N-O 3.21Å; A84-L255 HydrophobicContact CB-CD2 4.07Å
85	S	41.9	Very low	51.2	Low	109 Å²	109	107.6 Å²	107.6	76%	0.762	57%	0.57	S	S	*	*			trans	-64.5	93.8	-179.8	59.6	0	0	0	0	105.4	L83 L87	L83-S85 PolarHBondContact O-N 3.2Å; S85-L87 PolarHBondContact O-N 2.94Å
86	N	44.4	Very low	53.7	Low	80 Å²	80	105.5 Å²	105.5	43%	0.428	55%	0.554	S	S	.	*			trans	-68.9	94.7	170	-76.4	-24.8	0	0	0	104.7	A84 T88 A260	A84-N86 PolarHBondContact O-N 3.45Å; N86-T88 VanDerWaalsContact C-N 3.26Å; N86-T88 PolarHBondContact O-N 2.83Å; N86-A260 WeakPolarHBondContact ND2-CB 3.47Å
87	L	40.6	Very low	56.2	Low	148 Å²	148	101.9 Å²	101.9	78%	0.775	54%	0.544	S	S	*	.			trans	-35.3	105	142.4	-91.7	149.3	0	0	0	106.3	S85 L89	S85-L87 PolarHBondContact O-N 2.94Å; L87-L89 PolarHBondContact O-N 2.79Å
88	T	37.9	Very low	58.7	Low	126 Å²	126	104.1 Å²	104.1	77%	0.773	56%	0.557	S	S	*	*			trans	-7.1	72	162.2	-6.9	0	0	0	0	113.4	N86 Q90	N86-T88 VanDerWaalsContact C-N 3.26Å; N86-T88 PolarHBondContact O-N 2.83Å; T88-Q90 PolarHBondContact O-N 2.7Å
89	L	45.1	Very low	61.4	Low	120 Å²	120	96.9 Å²	96.9	63%	0.628	52%	0.523	S	S	*	.			trans	-84.5	79.1	168	-104.8	151.3	0	0	0	104.4	L87 S91	L87-L89 PolarHBondContact O-N 2.79Å; L89-S91 PolarHBondContact O-N 2.95Å
90	Q	44	Very low	64.2	Low	148 Å²	148	94.2 Å²	94.2	69%	0.692	50%	0.502	S	S	*	.			trans	-41	110.2	169	-71.5	177.3	-15	0	0	108.8	T88 K92	T88-Q90 PolarHBondContact O-N 2.7Å; Q90-K92 PolarHBondContact O-N 3.15Å
91	S	50.6	Low	66.8	Low	114 Å²	114	87 Å²	87	80%	0.797	47%	0.474	S	S	*	.	S	Bend	trans	28.7	23	147.4	64.5	0	0	0	0	120.2	L89	L89-S91 PolarHBondContact O-N 2.95Å
92	K	62.8	Low	69	Low	168 Å²	168	91.1 Å²	91.1	73%	0.73	49%	0.489	S	S	*	.			trans	-87.1	119.4	177	-80.2	-174.5	178	179.4	0	108	Q90 V94	Q90-K92 PolarHBondContact O-N 3.15Å; K92-V94 PolarHBondContact O-N 3.33Å; K92-V94 VanDerWaalsContact O-N 3.08Å
93	K	74.9	Confident	71.1	Confident	155 Å²	155	88 Å²	88	67%	0.674	49%	0.485	S	S	*	.			trans	-43.8	117.8	171.2	-173.2	173.4	-177.9	173.5	0	109	S95 E310	K93-S95 PolarHBondContact O-N 3.48Å; K93-E310 WeakPolarHBondContact CE-OE1 3.42Å; K93-E310 IonicContact NZ-OE1 3.95Å; K93-E310 PolarHBondContact NZ-OE1 3.29Å; K93-E310 VanDerWaalsContact NZ-OE1 3.08Å; K93-E310 IonicContact NZ-OE2 3.08Å
94	V	84.1	Confident	73.2	Confident	12 Å²	12	86.9 Å²	86.9	7%	0.073	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-68.5	121.9	-177.7	-177.4	0	0	0	0	109	K92 E259 Q262 W308	K92-V94 PolarHBondContact O-N 3.33Å; K92-V94 VanDerWaalsContact O-N 3.08Å; V94-E259 HydrophobicContact CG2-CB 3.89Å; V94-E259 HydrophobicContact CG2-CG 4.14Å; V94-Q262 HydrophobicContact CB-CB 3.99Å; V94-Q262 HydrophobicContact CG1-CB 3.8Å; V94-Q262 HydrophobicContact CG2-CB 4.08Å; V94-W308 HydrophobicContact CG1-CZ2 4.36Å
95	S	84.8	Confident	75.3	Confident	87 Å²	87	87.5 Å²	87.5	61%	0.608	47%	0.472	S	S	*	.	S	Bend	trans	-94.2	141.5	174.3	174.5	0	0	0	0	110.3	K93 K266	K93-S95 PolarHBondContact O-N 3.48Å; S95-K266 WeakPolarHBondContact O-CD 3.3Å; S95-K266 WeakPolarHBondContact O-CE 3.32Å; S95-K266 PolarHBondContact O-NZ 2.83Å
96	P	92.7	Very high	78	Confident	50 Å²	50	87 Å²	87	33%	0.325	47%	0.466	S	S	.	.	P	Polyproline II helix	cis	-78.8	163.8	1.7	32.9	-37.5	0	0	0	114.1	N98 F99 W308	P96-N98 VanDerWaalsContact C-N 3.26Å; P96-N98 WeakPolarHBondContact CB-O 3.42Å; P96-N98 WeakPolarHBondContact CG-O 3.47Å; P96-N98 PolarHBondContact O-N 3.43Å; P96-F99 HydrophobicContact CG-CB 4.35Å; P96-W308 WeakPolarHBondContact O-CZ2 3.41Å; P96-W308 PolarHBondContact O-NE1 2.89Å
97	A	92.7	Very high	80.6	Confident	38 Å²	38	91 Å²	91	31%	0.314	48%	0.48	S	S	.	.	S	Bend	trans	-63.4	-31.6	175	0	0	0	0	0	112.9	W308	A97-W308 PolarHBondContact O-NE1 3.44Å
98	N	96.5	Very high	83.4	Confident	88 Å²	88	84.1 Å²	84.1	47%	0.471	44%	0.444	S	S	.	.	S	Bend	trans	-121	133.9	174.8	-62.1	-70.9	0	0	0	109.8	P96 W308 G309 E310	P96-N98 VanDerWaalsContact C-N 3.26Å; P96-N98 WeakPolarHBondContact CB-O 3.42Å; P96-N98 WeakPolarHBondContact CG-O 3.47Å; P96-N98 PolarHBondContact O-N 3.43Å; N98-W308 WeakPolarHBondContact CA-O 3.25Å; N98-G309 WeakPolarHBondContact OD1-CA 3.43Å; N98-E310 PolarHBondContact OD1-N 3.1Å
99	F	98.1	Very high	86.2	Confident	20 Å²	20	84.9 Å²	84.9	9%	0.088	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	133.4	178.2	177.1	-90.7	0	0	0	110.4	P96 A101 K104 W105 L265 K266 G307 W308	P96-F99 HydrophobicContact CG-CB 4.35Å; F99-A101 HydrophobicContact CE1-CB 4.09Å; F99-A101 HydrophobicContact CZ-CB 4.49Å; F99-K104 HydrophobicContact CE2-CB 4.14Å; F99-K104 HydrophobicContact CE2-CD 3.56Å; F99-K104 HydrophobicContact CE2-CG 4.46Å; F99-K104 HydrophobicContact CZ-CB 4.3Å; F99-K104 HydrophobicContact CZ-CD 3.94Å; F99-W105 HydrophobicContact CE1-CZ3 4.37Å; F99-W105 AromaticContact CZ-CH2 3.98Å; F99-W105 HydrophobicContact CZ-CH2 3.98Å; F99-W105 AromaticContact CZ-CZ3 3.66Å; F99-W105 HydrophobicContact CZ-CZ3 3.66Å; F99-L265 HydrophobicContact CE1-CB 4.19Å; F99-L265 WeakPolarHBondContact CE1-O 3.5Å; F99-L265 VanDerWaalsContact CZ-O 3.25Å; F99-L265 WeakPolarHBondContact CZ-O 3.14Å; F99-K266 HydrophobicContact CD2-CG 4.4Å; F99-K266 HydrophobicContact CE2-CB 4.36Å; F99-K266 HydrophobicContact CE2-CG 4.15Å; F99-G307 CarbonylContact O-C 3.42Å; F99-G307 WeakPolarHBondContact O-CA 3.35Å; F99-W308 HydrophobicContact CB-CD2 3.69Å; F99-W308 HydrophobicContact CB-CE3 3.68Å; F99-W308 HydrophobicContact CB-CH2 3.3Å; F99-W308 HydrophobicContact CB-CZ2 3.35Å; F99-W308 HydrophobicContact CB-CZ3 3.47Å; F99-W308 VanDerWaalsContact CB-CZ3 3.47Å; F99-W308 AromaticContact CD1-CE3 3.8Å; F99-W308 HydrophobicContact CD1-CE3 3.8Å; F99-W308 AromaticContact CD1-CH2 3.77Å; F99-W308 HydrophobicContact CD1-CH2 3.77Å; F99-W308 AromaticContact CD1-CZ3 3.27Å; F99-W308 HydrophobicContact CD1-CZ3 3.27Å; F99-W308 AromaticContact CD2-CH2 3.91Å; F99-W308 HydrophobicContact CD2-CH2 3.91Å; F99-W308 HydrophobicContact CD2-CZ3 4.28Å; F99-W308 HydrophobicContact CE1-CZ3 4.06Å; F99-W308 HydrophobicContact CG-CE3 4.02Å; F99-W308 AromaticContact CG-CH2 3.38Å; F99-W308 HydrophobicContact CG-CH2 3.38Å; F99-W308 AromaticContact CG-CZ2 3.97Å; F99-W308 HydrophobicContact CG-CZ2 3.97Å; F99-W308 AromaticContact CG-CZ3 3.41Å; F99-W308 HydrophobicContact CG-CZ3 3.41Å; F99-W308 VanDerWaalsContact CG-CZ3 3.41Å; F99-W308 PolarHBondContact N-O 3.12Å; F99-W308 PolarHBondContact O-N 2.99Å; F99-W308 VanDerWaalsContact O-O 3.07Å
100	D	98.6	Very high	88.8	Confident	33 Å²	33	81.4 Å²	81.4	18%	0.176	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.4	173.2	-173	-27.8	0	0	0	108.8	R102 V103 K104	D100-R102 PolarHBondContact O-N 3.11Å; D100-R102 VanDerWaalsContact O-N 3.15Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 VanDerWaalsContact OD1-CG 3.29Å; D100-R102 WeakPolarHBondContact OD1-CG 3.42Å; D100-R102 IonicContact OD1-CZ 3.7Å; D100-R102 PolarHBondContact OD1-N 3.09Å; D100-R102 IonicContact OD1-NE 3.41Å; D100-R102 PolarHBondContact OD1-NE 3.41Å; D100-R102 IonicContact OD2-CZ 3.77Å; D100-R102 VanDerWaalsContact OD2-CZ 3.25Å; D100-R102 IonicContact OD2-NE 3.66Å; D100-R102 PolarHBondContact OD2-NE 2.89Å; D100-R102 IonicContact OD2-NH2 2.72Å; D100-R102 PolarHBondContact OD2-NH2 2.78Å; D100-V103 HydrophobicContact CB-CB 4.35Å; D100-V103 HydrophobicContact CB-CG2 3.98Å; D100-V103 PolarHBondContact O-N 3.14Å; D100-K104 PolarHBondContact O-N 3.45Å; D100-K104 VanDerWaalsContact O-N 3.1Å
101	A	98.7	Very high	91.4	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-27.8	179.7	0	0	0	0	0	112.7	F99 V103 K104 W105 I111 P270 I306	F99-A101 HydrophobicContact CE1-CB 4.09Å; F99-A101 HydrophobicContact CZ-CB 4.49Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 2.69Å; A101-K104 PolarHBondContact O-N 3.49Å; A101-W105 HydrophobicContact CB-CE3 3.84Å; A101-W105 HydrophobicContact CB-CZ3 3.79Å; A101-W105 PolarHBondContact O-N 3.27Å; A101-I111 HydrophobicContact CB-CD1 4.36Å; A101-I111 HydrophobicContact CB-CG2 3.66Å; A101-P270 HydrophobicContact CB-CG 4.26Å; A101-I306 HydrophobicContact CB-CB 4.37Å; A101-I306 WeakPolarHBondContact CB-O 3.25Å; A101-I306 PolarHBondContact N-O 3.12Å
102	R	98.7	Very high	93.6	Very high	98 Å²	98	70.1 Å²	70.1	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-35	177.2	-56.2	172.6	-65.7	179.8	1.2	111.7	D100 P106 I111 I306	D100-R102 PolarHBondContact O-N 3.11Å; D100-R102 VanDerWaalsContact O-N 3.15Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 VanDerWaalsContact OD1-CG 3.29Å; D100-R102 WeakPolarHBondContact OD1-CG 3.42Å; D100-R102 IonicContact OD1-CZ 3.7Å; D100-R102 PolarHBondContact OD1-N 3.09Å; D100-R102 IonicContact OD1-NE 3.41Å; D100-R102 PolarHBondContact OD1-NE 3.41Å; D100-R102 IonicContact OD2-CZ 3.77Å; D100-R102 VanDerWaalsContact OD2-CZ 3.25Å; D100-R102 IonicContact OD2-NE 3.66Å; D100-R102 PolarHBondContact OD2-NE 2.89Å; D100-R102 IonicContact OD2-NH2 2.72Å; D100-R102 PolarHBondContact OD2-NH2 2.78Å; R102-P106 VanDerWaalsContact O-CA 3.31Å; R102-P106 WeakPolarHBondContact O-CA 3.13Å; R102-I111 HydrophobicContact CG-CB 4.12Å; R102-I111 HydrophobicContact CG-CG2 3.6Å; R102-I306 HydrophobicContact CG-CD1 4.25Å
103	V	98.5	Very high	95.3	Very high	114 Å²	114	64.5 Å²	64.5	69%	0.691	34%	0.335	S	S	*	.	H	α-helix	trans	-75.6	-41	176.7	178	0	0	0	0	110.4	D100 A101	D100-V103 HydrophobicContact CB-CB 4.35Å; D100-V103 HydrophobicContact CB-CG2 3.98Å; D100-V103 PolarHBondContact O-N 3.14Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 2.69Å
104	K	98.3	Very high	96.4	Very high	93 Å²	93	58 Å²	58	40%	0.404	31%	0.308	S	S	.	.	H	α-helix	trans	-68.6	-38.3	179.4	-177.7	165.6	176	173.6	0	112.9	F99 D100 A101 P106 K266	F99-K104 HydrophobicContact CE2-CB 4.14Å; F99-K104 HydrophobicContact CE2-CD 3.56Å; F99-K104 HydrophobicContact CE2-CG 4.46Å; F99-K104 HydrophobicContact CZ-CB 4.3Å; F99-K104 HydrophobicContact CZ-CD 3.94Å; D100-K104 PolarHBondContact O-N 3.45Å; D100-K104 VanDerWaalsContact O-N 3.1Å; A101-K104 PolarHBondContact O-N 3.49Å; K104-P106 VanDerWaalsContact C-CD 3.5Å; K104-P106 WeakPolarHBondContact O-CD 3.44Å; K104-K266 WeakPolarHBondContact CE-O 3.36Å; K104-K266 PolarHBondContact NZ-O 3.37Å
105	W	98.6	Very high	97	Very high	37 Å²	37	58 Å²	58	14%	0.14	31%	0.307	C	S	.	.			trans	-125.6	67	-177.7	-59.5	-77.3	0	0	0	111.9	F99 A101 K107 C108 I111 I138 L265 K266	F99-W105 HydrophobicContact CE1-CZ3 4.37Å; F99-W105 AromaticContact CZ-CH2 3.98Å; F99-W105 HydrophobicContact CZ-CH2 3.98Å; F99-W105 AromaticContact CZ-CZ3 3.66Å; F99-W105 HydrophobicContact CZ-CZ3 3.66Å; A101-W105 HydrophobicContact CB-CE3 3.84Å; A101-W105 HydrophobicContact CB-CZ3 3.79Å; A101-W105 PolarHBondContact O-N 3.27Å; W105-K107 PolarHBondContact O-N 3.06Å; W105-K107 VanDerWaalsContact O-N 3.16Å; W105-C108 HydrophobicContact CB-CB 4.17Å; W105-C108 WeakPolarHBondContact O-CB 3.48Å; W105-C108 PolarHBondContact O-N 3.3Å; W105-I111 HydrophobicContact CB-CD1 3.78Å; W105-I111 HydrophobicContact CE3-CD1 4.33Å; W105-I138 HydrophobicContact CB-CG1 4.23Å; W105-I138 HydrophobicContact CD2-CD1 3.73Å; W105-I138 HydrophobicContact CD2-CG1 3.75Å; W105-I138 HydrophobicContact CD2-CG2 4.31Å; W105-I138 HydrophobicContact CE3-CD1 3.63Å; W105-I138 HydrophobicContact CE3-CG1 4.18Å; W105-I138 HydrophobicContact CG-CD1 4.24Å; W105-I138 HydrophobicContact CG-CG1 3.78Å; W105-I138 HydrophobicContact CH2-CD1 4.28Å; W105-I138 HydrophobicContact CZ2-CD1 4.37Å; W105-I138 HydrophobicContact CZ2-CG2 3.85Å; W105-I138 HydrophobicContact CZ3-CD1 3.93Å; W105-L265 WeakPolarHBondContact CH2-O 3.27Å; W105-K266 VanDerWaalsContact CH2-O 3.25Å; W105-K266 WeakPolarHBondContact CH2-O 3.48Å
106	P	98.2	Very high	97.6	Very high	98 Å²	98	55.2 Å²	55.2	64%	0.636	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	-171.5	27.5	-35.7	0	0	0	113.6	R102 K104 C108	R102-P106 VanDerWaalsContact O-CA 3.31Å; R102-P106 WeakPolarHBondContact O-CA 3.13Å; K104-P106 VanDerWaalsContact C-CD 3.5Å; K104-P106 WeakPolarHBondContact O-CD 3.44Å; P106-C108 VanDerWaalsContact C-N 3.27Å; P106-C108 PolarHBondContact O-N 2.83Å
107	K	98.5	Very high	97.7	Very high	163 Å²	163	52.8 Å²	52.8	71%	0.709	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.5	176	-65.2	-176.5	-177.9	-178.6	0	113	W105 K109 S142	W105-K107 PolarHBondContact O-N 3.06Å; W105-K107 VanDerWaalsContact O-N 3.16Å; K107-K109 PolarHBondContact O-N 3.23Å; K107-S142 VanDerWaalsContact CB-CB 3.5Å; K107-S142 WeakPolarHBondContact CB-OG 3.36Å
108	C	98.6	Very high	97.8	Very high	5 Å²	5	51 Å²	51	3%	0.034	26%	0.255	C	S	.	.			trans	-89.9	77	173.5	-66.7	0	0	0	0	110.7	W105 P106 Y110 I111 C137 S142	W105-C108 HydrophobicContact CB-CB 4.17Å; W105-C108 WeakPolarHBondContact O-CB 3.48Å; W105-C108 PolarHBondContact O-N 3.3Å; P106-C108 VanDerWaalsContact C-N 3.27Å; P106-C108 PolarHBondContact O-N 2.83Å; C108-Y110 PolarHBondContact O-N 2.66Å; C108-I111 HydrophobicContact CB-CD1 3.6Å; C108-I111 HydrophobicContact CB-CG1 4Å; C108-I111 WeakPolarHBondContact O-CG1 3.19Å; C108-I111 PolarHBondContact O-N 2.86Å; C108-C137 WeakPolarHBondContact CA-SG 3.25Å; C108-C137 HydrophobicContact CB-CB 3.79Å; C108-C137 WeakPolarHBondContact CB-SG 3.37Å; C108-C137 WeakPolarHBondContact SG-CB 3.33Å; C108-C137 CovalentContact SG-SG 2.03Å; C108-C137 PolarHBondContact SG-SG 2.98Å; C108-S142 PolarHBondContact SG-OG 2.86Å
109	K	97.7	Very high	97.6	Very high	141 Å²	141	47.2 Å²	47.2	61%	0.613	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.6	-168	69.3	-175.7	-176.1	177.4	0	116.3	K107 V145	K107-K109 PolarHBondContact O-N 3.23Å; K109-V145 HydrophobicContact CG-CG1 4.29Å
110	Y	98.5	Very high	97.3	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.184	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.3	-177	-57.8	-42.2	0	0	0	114.5	C108 G112 L113 V145 F147 K304	C108-Y110 PolarHBondContact O-N 2.66Å; Y110-G112 VanDerWaalsContact C-N 3.29Å; Y110-G112 PolarHBondContact O-N 2.65Å; Y110-L113 HydrophobicContact CD1-CB 4.46Å; Y110-L113 HydrophobicContact CD1-CD2 3.92Å; Y110-L113 WeakPolarHBondContact O-CB 3.18Å; Y110-L113 PolarHBondContact O-N 2.93Å; Y110-V145 HydrophobicContact CD2-CG1 4.05Å; Y110-V145 HydrophobicContact CE2-CG1 3.99Å; Y110-F147 HydrophobicContact CD1-CD2 4.05Å; Y110-F147 HydrophobicContact CD1-CE2 4.36Å; Y110-F147 HydrophobicContact CD2-CB 4.36Å; Y110-F147 HydrophobicContact CD2-CD2 4.24Å; Y110-F147 AromaticContact CE1-CD2 3.68Å; Y110-F147 HydrophobicContact CE1-CD2 3.68Å; Y110-F147 HydrophobicContact CE1-CE2 4.22Å; Y110-F147 HydrophobicContact CE2-CB 3.73Å; Y110-F147 AromaticContact CE2-CD2 3.89Å; Y110-F147 HydrophobicContact CE2-CD2 3.89Å; Y110-F147 HydrophobicContact CE2-CG 4.18Å; Y110-F147 HydrophobicContact CG-CD2 4.33Å; Y110-F147 AromaticContact CZ-CD2 3.59Å; Y110-K304 PolarHBondContact O-NZ 3.34Å; Y110-K304 VanDerWaalsContact O-NZ 3.12Å
111	I	98.8	Very high	97	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-45	-178.2	-67.4	172.4	0	0	0	111.4	A101 R102 W105 C108 D134 I138 P270 K304 I306	A101-I111 HydrophobicContact CB-CD1 4.36Å; A101-I111 HydrophobicContact CB-CG2 3.66Å; R102-I111 HydrophobicContact CG-CB 4.12Å; R102-I111 HydrophobicContact CG-CG2 3.6Å; W105-I111 HydrophobicContact CB-CD1 3.78Å; W105-I111 HydrophobicContact CE3-CD1 4.33Å; C108-I111 HydrophobicContact CB-CD1 3.6Å; C108-I111 HydrophobicContact CB-CG1 4Å; C108-I111 WeakPolarHBondContact O-CG1 3.19Å; C108-I111 PolarHBondContact O-N 2.86Å; I111-D134 WeakPolarHBondContact CA-OD1 3.29Å; I111-D134 WeakPolarHBondContact CA-OD2 3.2Å; I111-D134 HydrophobicContact CG1-CB 3.99Å; I111-D134 PolarHBondContact N-OD1 3.48Å; I111-D134 VanDerWaalsContact N-OD1 3.12Å; I111-I138 HydrophobicContact CD1-CD1 4.24Å; I111-P270 HydrophobicContact CG2-CG 4.12Å; I111-K304 WeakPolarHBondContact O-CE 3.18Å; I111-K304 PolarHBondContact O-NZ 2.96Å; I111-I306 HydrophobicContact CG2-CB 4.36Å; I111-I306 HydrophobicContact CG2-CG2 4.16Å
112	G	98.2	Very high	96.8	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.2	177.4	0	0	0	0	0	115.1	Y110 V114	Y110-G112 VanDerWaalsContact C-N 3.29Å; Y110-G112 PolarHBondContact O-N 2.65Å; G112-V114 PolarHBondContact O-N 3.18Å
113	L	98.4	Very high	96.7	Very high	51 Å²	51	40 Å²	40	27%	0.267	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-72.4	121.1	-175.7	-175.5	77.8	0	0	0	110.2	Y110 F147	Y110-L113 HydrophobicContact CD1-CB 4.46Å; Y110-L113 HydrophobicContact CD1-CD2 3.92Å; Y110-L113 WeakPolarHBondContact O-CB 3.18Å; Y110-L113 PolarHBondContact O-N 2.93Å; L113-F147 HydrophobicContact CD2-CD2 4.27Å; L113-F147 HydrophobicContact CD2-CE2 3.27Å; L113-F147 HydrophobicContact CD2-CZ 3.72Å
114	V	98.1	Very high	96.5	Very high	18 Å²	18	34.6 Å²	34.6	11%	0.109	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-87.3	126.5	174.5	-178.9	0	0	0	0	109.2	G112 V320 N324 T325 K330 L332	G112-V114 PolarHBondContact O-N 3.18Å; V114-V320 HydrophobicContact CB-CG1 4.43Å; V114-V320 HydrophobicContact CG2-CG1 3.86Å; V114-N324 VanDerWaalsContact CG1-C 3.46Å; V114-N324 WeakPolarHBondContact CG1-O 3.17Å; V114-T325 HydrophobicContact CB-CG2 3.98Å; V114-T325 HydrophobicContact CG1-CG2 4.38Å; V114-T325 HydrophobicContact CG2-CG2 4.35Å; V114-K330 WeakPolarHBondContact CG2-O 3.32Å; V114-L332 HydrophobicContact CG2-CD1 3.93Å
115	K	96.8	Very high	96.4	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.048	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-98.9	171.6	175.5	-62.6	-177	176	-169.9	0	110.2	V126 F147 D150 L203 S322 N324	K115-V126 HydrophobicContact CB-CG1 3.69Å; K115-V126 HydrophobicContact CD-CG1 3.69Å; K115-V126 HydrophobicContact CG-CG1 4.31Å; K115-F147 HydrophobicContact CD-CE1 4.48Å; K115-F147 HydrophobicContact CD-CZ 4.43Å; K115-F147 VanDerWaalsContact CE-CZ 3.49Å; K115-D150 WeakPolarHBondContact CD-OD1 3.35Å; K115-D150 IonicContact NZ-OD1 3.25Å; K115-D150 PolarHBondContact NZ-OD1 2.73Å; K115-L203 HydrophobicContact CB-CD2 4.47Å; K115-L203 HydrophobicContact CG-CD2 4.07Å; K115-S322 CarbonylContact O-C 3.37Å; K115-S322 VanDerWaalsContact O-CA 3.3Å; K115-S322 WeakPolarHBondContact O-CA 3.38Å; K115-N324 PolarHBondContact O-N 3.13Å
116	D	95.9	Very high	96.4	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-126.9	117	174.4	-168.4	-19.8	0	0	0	109.3	S118 S322 N324	D116-S118 VanDerWaalsContact C-N 3.3Å; D116-S118 WeakPolarHBondContact OD1-CA 3.4Å; D116-S118 PolarHBondContact OD1-N 3.5Å; D116-S322 WeakPolarHBondContact CA-O 3.25Å; D116-N324 HydrophobicContact CB-CB 4.08Å
117	Q	95.2	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.			trans	-82.8	-8.1	177.3	77.6	-175.9	75.4	0	0	113.2	R65 C120 V126 Y213 H301 S322	R65-Q117 PolarHBondContact O-NE2 3.22Å; Q117-C120 WeakPolarHBondContact CG-O 3.34Å; Q117-C120 PolarHBondContact NE2-O 3.14Å; Q117-C120 PolarHBondContact O-N 3.46Å; Q117-V126 HydrophobicContact CB-CG2 4.14Å; Q117-Y213 PolarHBondContact O-OH 2.97Å; Q117-Y213 VanDerWaalsContact O-OH 3.11Å; Q117-H301 PolarHBondContact OE1-CE1 2.79Å; Q117-H301 VanDerWaalsContact OE1-CE1 3.27Å; Q117-S322 PolarHBondContact N-O 2.85Å; Q117-S322 PolarHBondContact OE1-OG 3.31Å
118	S	94.4	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-145.5	-175.6	-166.3	0	0	0	0	113.5	R65 D116 C120 R216 C218	R65-S118 WeakPolarHBondContact CG-O 3.46Å; D116-S118 VanDerWaalsContact C-N 3.3Å; D116-S118 WeakPolarHBondContact OD1-CA 3.4Å; D116-S118 PolarHBondContact OD1-N 3.5Å; S118-C120 PolarHBondContact O-N 3.21Å; S118-R216 VanDerWaalsContact CB-O 3.28Å; S118-R216 WeakPolarHBondContact CB-O 3.49Å; S118-R216 PolarHBondContact OG-O 2.99Å; S118-C218 WeakPolarHBondContact OG-CB 3.34Å; S118-C218 PolarHBondContact OG-N 2.82Å
119	N	92.4	Very high	96.4	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.043	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	27.9	176.1	67	-39.6	0	0	0	113.5	L64 C221 Y223 T224 A225	L64-N119 HydrophobicContact CD1-CB 4.42Å; N119-C221 HydrophobicContact CB-CB 3.6Å; N119-C221 WeakPolarHBondContact ND2-CB 3Å; N119-C221 PolarHBondContact ND2-SG 2.87Å; N119-Y223 PolarHBondContact ND2-O 3.13Å; N119-T224 WeakPolarHBondContact O-CA 3.45Å; N119-A225 PolarHBondContact ND2-N 3.38Å; N119-A225 PolarHBondContact O-N 2.99Å
120	C	92.3	Very high	96.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-115.2	132.7	174.6	174.5	0	0	0	0	109.4	Q117 S118 S122 M154 C181 I215 A225	Q117-C120 WeakPolarHBondContact CG-O 3.34Å; Q117-C120 PolarHBondContact NE2-O 3.14Å; Q117-C120 PolarHBondContact O-N 3.46Å; S118-C120 PolarHBondContact O-N 3.21Å; C120-S122 PolarHBondContact O-N 2.8Å; C120-S122 WeakPolarHBondContact SG-CB 3.25Å; C120-S122 PolarHBondContact SG-OG 2.92Å; C120-M154 PolarHBondContact SG-SD 2.78Å; C120-C181 HydrophobicContact CB-CB 3.93Å; C120-C181 WeakPolarHBondContact CB-SG 3.2Å; C120-C181 WeakPolarHBondContact SG-CA 3.09Å; C120-C181 WeakPolarHBondContact SG-CB 3.36Å; C120-C181 CovalentContact SG-SG 2.04Å; C120-C181 PolarHBondContact SG-SG 3.18Å; C120-I215 HydrophobicContact CB-CD1 3.53Å; C120-A225 HydrophobicContact CB-CB 4.16Å
121	G	92.6	Very high	96.4	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	5%	0.048	C	C	.	.			trans	-71.1	44.3	173.1	0	0	0	0	0	113.2	G68 W124 C181 G183	G68-G121 WeakPolarHBondContact CA-O 2.98Å; G121-W124 VanDerWaalsContact O-CD1 3.25Å; G121-C181 WeakPolarHBondContact CA-O 3.31Å; G121-C181 PolarHBondContact N-O 2.74Å; G121-G183 WeakPolarHBondContact O-CA 3.39Å
122	S	94.4	Very high	96.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.048	C	C	.	.			trans	-95.3	11.1	-175.2	55.5	0	0	0	0	114.1	C120 W124 A125 V126 M154 Y213	C120-S122 PolarHBondContact O-N 2.8Å; C120-S122 WeakPolarHBondContact SG-CB 3.25Å; C120-S122 PolarHBondContact SG-OG 2.92Å; S122-W124 PolarHBondContact O-N 2.99Å; S122-A125 WeakPolarHBondContact O-CA 3.37Å; S122-A125 PolarHBondContact O-N 2.72Å; S122-V126 WeakPolarHBondContact O-CG2 3.21Å; S122-V126 PolarHBondContact O-N 3.36Å; S122-M154 WeakPolarHBondContact CB-SD 3.24Å; S122-Y213 PolarHBondContact OG-OH 2.81Å
123	C	96.3	Very high	96.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-48.5	-35.2	177.1	65.9	0	0	0	0	113.3	G68 A125 V126 S127 H301 A302	G68-C123 VanDerWaalsContact C-SG 3.6Å; G68-C123 WeakPolarHBondContact CA-SG 3.48Å; C123-A125 VanDerWaalsContact C-N 3.35Å; C123-A125 PolarHBondContact O-N 2.87Å; C123-V126 PolarHBondContact O-N 3.03Å; C123-S127 VanDerWaalsContact O-CB 3.24Å; C123-S127 WeakPolarHBondContact O-CB 3.17Å; C123-S127 PolarHBondContact O-N 2.58Å; C123-S127 PolarHBondContact O-OG 3.41Å; C123-H301 WeakPolarHBondContact CB-CE1 3.42Å; C123-H301 VanDerWaalsContact CB-ND1 3.29Å; C123-H301 WeakPolarHBondContact CB-ND1 3.46Å; C123-H301 PolarHBondContact SG-ND1 2.79Å; C123-H301 VanDerWaalsContact SG-ND1 3.41Å; C123-A302 HydrophobicContact CB-CB 4.44Å; C123-A302 PolarHBondContact SG-N 3.35Å
124	W	95.1	Very high	96.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.5	-38.9	176.4	68.7	-87.7	0	0	0	112.7	G68 G121 S122 S128 I153 C160 S180 P186 A189	G68-W124 WeakPolarHBondContact O-CB 3.25Å; G121-W124 VanDerWaalsContact O-CD1 3.25Å; S122-W124 PolarHBondContact O-N 2.99Å; W124-S128 VanDerWaalsContact O-CB 3.24Å; W124-S128 WeakPolarHBondContact O-CB 3.48Å; W124-S128 PolarHBondContact O-N 2.63Å; W124-S128 PolarHBondContact O-OG 3.28Å; W124-I153 HydrophobicContact CE3-CG2 4.38Å; W124-I153 HydrophobicContact CH2-CG2 3.98Å; W124-I153 HydrophobicContact CZ3-CG2 3.52Å; W124-C160 HydrophobicContact CE3-CB 4.17Å; W124-C160 HydrophobicContact CH2-CB 3.36Å; W124-C160 HydrophobicContact CZ2-CB 4.41Å; W124-C160 HydrophobicContact CZ3-CB 3.22Å; W124-S180 PolarHBondContact NE1-O 3.12Å; W124-S180 VanDerWaalsContact NE1-O 3.09Å; W124-P186 HydrophobicContact CB-CG 3.89Å; W124-A189 HydrophobicContact CE3-CB 4.33Å; W124-A189 HydrophobicContact CZ3-CB 4.2Å
125	A	96.1	Very high	96.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-81.5	-43.8	176.9	0	0	0	0	0	111.2	S122 C123 S128 A129 I153 M154	S122-A125 WeakPolarHBondContact O-CA 3.37Å; S122-A125 PolarHBondContact O-N 2.72Å; C123-A125 VanDerWaalsContact C-N 3.35Å; C123-A125 PolarHBondContact O-N 2.87Å; A125-S128 PolarHBondContact O-N 3.1Å; A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 2.69Å; A125-I153 HydrophobicContact CB-CB 4.13Å; A125-I153 HydrophobicContact CB-CG2 3.82Å; A125-M154 HydrophobicContact CB-CB 4.01Å
126	V	97.7	Very high	96.6	Very high	4 Å²	4	3.2 Å²	3.2	2%	0.024	2%	0.018	C	C	.	.	H	α-helix	trans	-60.7	-49	-178.9	175	0	0	0	0	111.7	K115 Q117 S122 C123 S130 D150	K115-V126 HydrophobicContact CB-CG1 3.69Å; K115-V126 HydrophobicContact CD-CG1 3.69Å; K115-V126 HydrophobicContact CG-CG1 4.31Å; Q117-V126 HydrophobicContact CB-CG2 4.14Å; S122-V126 WeakPolarHBondContact O-CG2 3.21Å; S122-V126 PolarHBondContact O-N 3.36Å; C123-V126 PolarHBondContact O-N 3.03Å; V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.27Å; V126-S130 PolarHBondContact O-N 2.04Å; V126-D150 HydrophobicContact CB-CB 4.48Å; V126-D150 HydrophobicContact CG2-CB 4.07Å
127	S	98.2	Very high	96.7	Very high	6 Å²	6	1.9 Å²	1.9	4%	0.042	1%	0.011	C	C	.	.	H	α-helix	trans	-65.1	-43.9	177.2	59.5	0	0	0	0	111.6	C123 S130 V131 A302	C123-S127 VanDerWaalsContact O-CB 3.24Å; C123-S127 WeakPolarHBondContact O-CB 3.17Å; C123-S127 PolarHBondContact O-N 2.58Å; C123-S127 PolarHBondContact O-OG 3.41Å; S127-S130 WeakPolarHBondContact O-CB 3.43Å; S127-S130 PolarHBondContact O-N 3.46Å; S127-V131 PolarHBondContact O-N 3.27Å; S127-A302 WeakPolarHBondContact OG-CB 3.32Å
128	S	98.1	Very high	96.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.5	-51.1	178.5	-61.8	0	0	0	0	112	W124 A125 S130 V131 M132	W124-S128 VanDerWaalsContact O-CB 3.24Å; W124-S128 WeakPolarHBondContact O-CB 3.48Å; W124-S128 PolarHBondContact O-N 2.63Å; W124-S128 PolarHBondContact O-OG 3.28Å; A125-S128 PolarHBondContact O-N 3.1Å; S128-S130 PolarHBondContact O-N 2.99Å; S128-V131 PolarHBondContact O-N 2.99Å; S128-V131 VanDerWaalsContact O-N 3.15Å; S128-M132 WeakPolarHBondContact O-CG 3.15Å; S128-M132 PolarHBondContact O-N 2.86Å
129	A	98.6	Very high	97.1	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.4	-37	175.7	0	0	0	0	0	112.3	A125 M132 S133 I148 D150 I153	A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 2.69Å; A129-M132 PolarHBondContact O-N 3.26Å; A129-S133 PolarHBondContact O-N 2.83Å; A129-S133 PolarHBondContact O-OG 3.46Å; A129-I148 HydrophobicContact CB-CB 4.38Å; A129-I148 HydrophobicContact CB-CG2 4.07Å; A129-D150 HydrophobicContact CB-CB 3.82Å; A129-I153 HydrophobicContact CB-CD1 3.82Å
130	S	98.7	Very high	97.3	Very high	8 Å²	8	10 Å²	10	6%	0.056	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-47	175.8	-160.2	0	0	0	0	111.2	V126 S127 S128 M132 S133 D134 K304	V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.27Å; V126-S130 PolarHBondContact O-N 2.04Å; S127-S130 WeakPolarHBondContact O-CB 3.43Å; S127-S130 PolarHBondContact O-N 3.46Å; S128-S130 PolarHBondContact O-N 2.99Å; S130-M132 PolarHBondContact O-N 3.39Å; S130-S133 WeakPolarHBondContact O-CB 3.22Å; S130-S133 PolarHBondContact O-N 2.74Å; S130-D134 VanDerWaalsContact O-CG 3.27Å; S130-D134 PolarHBondContact O-N 3.21Å; S130-D134 VanDerWaalsContact O-N 3.16Å; S130-K304 VanDerWaalsContact OG-CE 3.32Å; S130-K304 WeakPolarHBondContact OG-CE 3.34Å; S130-K304 PolarHBondContact OG-NZ 2.86Å
131	V	98.8	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-42.5	174.8	167.5	0	0	0	0	112.2	S127 S128 S133 D134 R135 F190 P270 I271 V272 K304	S127-V131 PolarHBondContact O-N 3.27Å; S128-V131 PolarHBondContact O-N 2.99Å; S128-V131 VanDerWaalsContact O-N 3.15Å; V131-S133 VanDerWaalsContact C-N 3.34Å; V131-S133 PolarHBondContact O-N 3.43Å; V131-D134 PolarHBondContact O-N 3.43Å; V131-R135 HydrophobicContact CG1-CG 4.13Å; V131-R135 WeakPolarHBondContact O-CB 3.27Å; V131-R135 WeakPolarHBondContact O-CG 3.21Å; V131-R135 PolarHBondContact O-N 3.39Å; V131-F190 HydrophobicContact CB-CE1 4.45Å; V131-F190 HydrophobicContact CB-CZ 4.25Å; V131-F190 HydrophobicContact CG1-CE1 3.94Å; V131-F190 HydrophobicContact CG1-CZ 3.89Å; V131-P270 WeakPolarHBondContact CG1-O 3.46Å; V131-P270 HydrophobicContact CG2-CB 4.19Å; V131-I271 VanDerWaalsContact CG2-C 3.46Å; V131-V272 HydrophobicContact CB-CG2 4.2Å; V131-V272 HydrophobicContact CG2-CG2 3.69Å; V131-K304 HydrophobicContact CG2-CB 4.3Å; V131-K304 HydrophobicContact CG2-CD 3.87Å; V131-K304 HydrophobicContact CG2-CG 3.67Å
132	M	98.7	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-45.3	177.4	-65.7	169.7	-171.3	0	0	111.4	S128 A129 S130 D134 R135 I136 I148 I153 A189 F190 W193 V198	S128-M132 WeakPolarHBondContact O-CG 3.15Å; S128-M132 PolarHBondContact O-N 2.86Å; A129-M132 PolarHBondContact O-N 3.26Å; S130-M132 PolarHBondContact O-N 3.39Å; M132-D134 VanDerWaalsContact C-N 3.33Å; M132-D134 PolarHBondContact O-N 2.96Å; M132-R135 PolarHBondContact O-N 2.92Å; M132-I136 WeakPolarHBondContact O-CD1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.47Å; M132-I136 PolarHBondContact O-N 3.28Å; M132-I148 HydrophobicContact CB-CB 4.24Å; M132-I148 HydrophobicContact CB-CG1 3.95Å; M132-I148 HydrophobicContact CB-CG2 4.13Å; M132-I148 HydrophobicContact SD-CG2 4.09Å; M132-I153 HydrophobicContact CE-CD1 3.87Å; M132-I153 HydrophobicContact SD-CD1 3.69Å; M132-A189 HydrophobicContact CE-CB 4.28Å; M132-A189 VanDerWaalsContact CE-O 3.29Å; M132-A189 WeakPolarHBondContact CE-O 3.41Å; M132-F190 HydrophobicContact CE-CD1 3.8Å; M132-F190 HydrophobicContact CE-CE1 4.08Å; M132-F190 HydrophobicContact CE-CG 4.46Å; M132-F190 HydrophobicContact CG-CD1 4.48Å; M132-F190 HydrophobicContact CG-CE1 4.19Å; M132-W193 HydrophobicContact CB-CD2 4.22Å; M132-W193 HydrophobicContact CB-CE3 4.34Å; M132-W193 HydrophobicContact CB-CH2 4.21Å; M132-W193 HydrophobicContact CB-CZ2 4.14Å; M132-W193 HydrophobicContact CB-CZ3 4.3Å; M132-W193 HydrophobicContact CE-CB 3.55Å; M132-W193 HydrophobicContact CE-CD2 4.22Å; M132-W193 HydrophobicContact CE-CE3 4.24Å; M132-W193 HydrophobicContact CE-CG 3.99Å; M132-W193 HydrophobicContact CG-CD2 3.58Å; M132-W193 HydrophobicContact CG-CE3 3.52Å; M132-W193 HydrophobicContact CG-CG 4.12Å; M132-W193 HydrophobicContact CG-CH2 4.23Å; M132-W193 HydrophobicContact CG-CZ2 4.33Å; M132-W193 HydrophobicContact CG-CZ3 3.83Å; M132-W193 HydrophobicContact SD-CB 3.85Å; M132-W193 HydrophobicContact SD-CD2 3.83Å; M132-W193 HydrophobicContact SD-CE3 4.21Å; M132-W193 HydrophobicContact SD-CG 3.68Å; M132-V198 HydrophobicContact SD-CG2 4.15Å
133	S	98.8	Very high	98	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-56.3	-48.5	176.9	-55	0	0	0	0	111.5	A129 S130 V131 C137 P146 I148	A129-S133 PolarHBondContact O-N 2.83Å; A129-S133 PolarHBondContact O-OG 3.46Å; S130-S133 WeakPolarHBondContact O-CB 3.22Å; S130-S133 PolarHBondContact O-N 2.74Å; V131-S133 VanDerWaalsContact C-N 3.34Å; V131-S133 PolarHBondContact O-N 3.43Å; S133-C137 PolarHBondContact O-N 3.25Å; S133-P146 WeakPolarHBondContact CB-O 3.46Å; S133-I148 WeakPolarHBondContact OG-CB 3.35Å; S133-I148 PolarHBondContact OG-N 2.89Å
134	D	98.8	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-46.7	-177.8	-64.1	-21.6	0	0	0	111.6	I111 S130 V131 M132 I136 C137 I138 P270 K304	I111-D134 WeakPolarHBondContact CA-OD1 3.29Å; I111-D134 WeakPolarHBondContact CA-OD2 3.2Å; I111-D134 HydrophobicContact CG1-CB 3.99Å; I111-D134 PolarHBondContact N-OD1 3.48Å; I111-D134 VanDerWaalsContact N-OD1 3.12Å; S130-D134 VanDerWaalsContact O-CG 3.27Å; S130-D134 PolarHBondContact O-N 3.21Å; S130-D134 VanDerWaalsContact O-N 3.16Å; V131-D134 PolarHBondContact O-N 3.43Å; M132-D134 VanDerWaalsContact C-N 3.33Å; M132-D134 PolarHBondContact O-N 2.96Å; D134-I136 PolarHBondContact O-N 2.85Å; D134-C137 WeakPolarHBondContact O-CB 3.21Å; D134-C137 PolarHBondContact O-N 3.37Å; D134-C137 VanDerWaalsContact O-N 3.13Å; D134-I138 VanDerWaalsContact O-CG1 3.29Å; D134-I138 WeakPolarHBondContact O-CG1 3.16Å; D134-I138 PolarHBondContact O-N 2.66Å; D134-P270 HydrophobicContact CB-CG 4.02Å; D134-K304 IonicContact OD1-NZ 3.77Å; D134-K304 VanDerWaalsContact OD2-CD 3.27Å; D134-K304 WeakPolarHBondContact OD2-CD 3.12Å; D134-K304 WeakPolarHBondContact OD2-CE 3.23Å; D134-K304 IonicContact OD2-NZ 3.87Å; D134-K304 PolarHBondContact OD2-NZ 3.21Å
135	R	98.7	Very high	98.2	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.023	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-178	-73.2	-168.9	166.1	-131	-14.9	112.8	V131 M132 I138 A139 G269 P270 I271 A351 A352	V131-R135 HydrophobicContact CG1-CG 4.13Å; V131-R135 WeakPolarHBondContact O-CB 3.27Å; V131-R135 WeakPolarHBondContact O-CG 3.21Å; V131-R135 PolarHBondContact O-N 3.39Å; M132-R135 PolarHBondContact O-N 2.92Å; R135-I138 PolarHBondContact O-N 2.95Å; R135-A139 VanDerWaalsContact O-CB 3.28Å; R135-A139 WeakPolarHBondContact O-CB 3.16Å; R135-A139 PolarHBondContact O-N 3.47Å; R135-G269 PolarHBondContact NH2-O 3.42Å; R135-P270 PolarHBondContact NE-O 2.87Å; R135-P270 PolarHBondContact NH2-O 3.46Å; R135-I271 VanDerWaalsContact NH2-CG2 3.32Å; R135-A351 VanDerWaalsContact NH1-CB 3.34Å; R135-A352 WeakPolarHBondContact CD-O 3.36Å; R135-A352 PolarHBondContact NH1-O 2.96Å
136	I	98.7	Very high	98.2	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-46.6	171	-64.9	160.8	0	0	0	109.9	M132 D134 I138 A139 Y140 K144 P146 I148 W193 Q247 A354	M132-I136 WeakPolarHBondContact O-CD1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.47Å; M132-I136 PolarHBondContact O-N 3.28Å; D134-I136 PolarHBondContact O-N 2.85Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.36Å; I136-A139 PolarHBondContact O-N 2.89Å; I136-Y140 HydrophobicContact CG2-CD2 4.01Å; I136-Y140 HydrophobicContact CG2-CE2 4.32Å; I136-Y140 VanDerWaalsContact O-CD2 3.27Å; I136-Y140 WeakPolarHBondContact O-CD2 3.21Å; I136-Y140 PolarHBondContact O-N 3.06Å; I136-Y140 VanDerWaalsContact O-N 3.09Å; I136-K144 HydrophobicContact CG2-CD 3.93Å; I136-K144 HydrophobicContact CG2-CG 4.2Å; I136-P146 HydrophobicContact CB-CG 3.91Å; I136-P146 HydrophobicContact CD1-CG 3.78Å; I136-P146 HydrophobicContact CG1-CG 4.47Å; I136-P146 HydrophobicContact CG2-CG 3.58Å; I136-I148 HydrophobicContact CD1-CD1 3.64Å; I136-I148 HydrophobicContact CD1-CG1 3.91Å; I136-W193 HydrophobicContact CD1-CZ2 3.75Å; I136-W193 HydrophobicContact CG1-CH2 4.22Å; I136-W193 HydrophobicContact CG1-CZ2 3.62Å; I136-Q247 HydrophobicContact CD1-CB 3.81Å; I136-Q247 HydrophobicContact CD1-CG 4.32Å; I136-A354 HydrophobicContact CB-CB 4.33Å; I136-A354 HydrophobicContact CG1-CB 3.84Å
137	C	98.8	Very high	98.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-44.4	178.4	-179.4	0	0	0	0	113.1	C108 S133 D134 Y140 G141 S142 K144 V145	C108-C137 WeakPolarHBondContact CA-SG 3.25Å; C108-C137 HydrophobicContact CB-CB 3.79Å; C108-C137 WeakPolarHBondContact CB-SG 3.37Å; C108-C137 WeakPolarHBondContact SG-CB 3.33Å; C108-C137 CovalentContact SG-SG 2.03Å; C108-C137 PolarHBondContact SG-SG 2.98Å; S133-C137 PolarHBondContact O-N 3.25Å; D134-C137 WeakPolarHBondContact O-CB 3.21Å; D134-C137 PolarHBondContact O-N 3.37Å; D134-C137 VanDerWaalsContact O-N 3.13Å; C137-Y140 PolarHBondContact O-N 3.25Å; C137-G141 PolarHBondContact O-N 3.4Å; C137-S142 WeakPolarHBondContact O-CA 3.29Å; C137-S142 PolarHBondContact O-N 3.17Å; C137-K144 WeakPolarHBondContact CA-O 3.37Å; C137-V145 HydrophobicContact CB-CG1 4.37Å
138	I	98.6	Very high	98.3	Very high	22 Å²	22	30.4 Å²	30.4	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-48.5	179.6	-69.6	168.3	0	0	0	110.7	W105 I111 D134 R135 I136 Y140 G141	W105-I138 HydrophobicContact CB-CG1 4.23Å; W105-I138 HydrophobicContact CD2-CD1 3.73Å; W105-I138 HydrophobicContact CD2-CG1 3.75Å; W105-I138 HydrophobicContact CD2-CG2 4.31Å; W105-I138 HydrophobicContact CE3-CD1 3.63Å; W105-I138 HydrophobicContact CE3-CG1 4.18Å; W105-I138 HydrophobicContact CG-CD1 4.24Å; W105-I138 HydrophobicContact CG-CG1 3.78Å; W105-I138 HydrophobicContact CH2-CD1 4.28Å; W105-I138 HydrophobicContact CZ2-CD1 4.37Å; W105-I138 HydrophobicContact CZ2-CG2 3.85Å; W105-I138 HydrophobicContact CZ3-CD1 3.93Å; I111-I138 HydrophobicContact CD1-CD1 4.24Å; D134-I138 VanDerWaalsContact O-CG1 3.29Å; D134-I138 WeakPolarHBondContact O-CG1 3.16Å; D134-I138 PolarHBondContact O-N 2.66Å; R135-I138 PolarHBondContact O-N 2.95Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.36Å; I138-Y140 VanDerWaalsContact C-N 3.29Å; I138-Y140 PolarHBondContact O-N 3.45Å; I138-G141 PolarHBondContact O-N 2.61Å; I138-G141 VanDerWaalsContact O-N 3.12Å
139	A	98	Very high	98.3	Very high	64 Å²	64	30.4 Å²	30.4	53%	0.529	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-35.1	-178.6	0	0	0	0	0	112.9	R135 I136 G141 A354	R135-A139 VanDerWaalsContact O-CB 3.28Å; R135-A139 WeakPolarHBondContact O-CB 3.16Å; R135-A139 PolarHBondContact O-N 3.47Å; I136-A139 PolarHBondContact O-N 2.89Å; A139-G141 VanDerWaalsContact C-N 3.29Å; A139-G141 PolarHBondContact O-N 2.99Å; A139-A354 HydrophobicContact CB-CB 3.82Å
140	Y	98.1	Very high	98.3	Very high	93 Å²	93	30.6 Å²	30.6	37%	0.365	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	10.1	179.1	-78	-103.3	0	0	0	113.5	I136 C137 I138 S142 K143 K144 Y355	I136-Y140 HydrophobicContact CG2-CD2 4.01Å; I136-Y140 HydrophobicContact CG2-CE2 4.32Å; I136-Y140 VanDerWaalsContact O-CD2 3.27Å; I136-Y140 WeakPolarHBondContact O-CD2 3.21Å; I136-Y140 PolarHBondContact O-N 3.06Å; I136-Y140 VanDerWaalsContact O-N 3.09Å; C137-Y140 PolarHBondContact O-N 3.25Å; I138-Y140 VanDerWaalsContact C-N 3.29Å; I138-Y140 PolarHBondContact O-N 3.45Å; Y140-S142 PolarHBondContact O-N 3.23Å; Y140-K143 WeakPolarHBondContact O-CB 3.36Å; Y140-K143 WeakPolarHBondContact O-CG 3.32Å; Y140-K143 PolarHBondContact O-N 2.78Å; Y140-K143 VanDerWaalsContact O-N 3.12Å; Y140-K144 HydrophobicContact CD1-CB 3.99Å; Y140-K144 HydrophobicContact CD1-CD 3.93Å; Y140-K144 HydrophobicContact CD2-CD 4.24Å; Y140-K144 HydrophobicContact CE1-CD 3.97Å; Y140-K144 HydrophobicContact CE2-CD 4.3Å; Y140-K144 HydrophobicContact CG-CB 3.83Å; Y140-K144 HydrophobicContact CG-CD 4.07Å; Y140-Y355 WeakPolarHBondContact CE2-O 3.33Å; Y140-Y355 PolarHBondContact OH-O 3.11Å
141	G	97.3	Very high	98.1	Very high	57 Å²	57	31 Å²	31	59%	0.588	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	39.2	-178.7	0	0	0	0	0	112.5	C137 I138 A139 K143	C137-G141 PolarHBondContact O-N 3.4Å; I138-G141 PolarHBondContact O-N 2.61Å; I138-G141 VanDerWaalsContact O-N 3.12Å; A139-G141 VanDerWaalsContact C-N 3.29Å; A139-G141 PolarHBondContact O-N 2.99Å; G141-K143 PolarHBondContact O-N 2.92Å; G141-K143 VanDerWaalsContact O-N 3.17Å
142	S	97.5	Very high	98	Very high	31 Å²	31	31 Å²	31	22%	0.217	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	7.3	-177.8	-43.9	0	0	0	0	116.5	K107 C108 C137 Y140 K144	K107-S142 VanDerWaalsContact CB-CB 3.5Å; K107-S142 WeakPolarHBondContact CB-OG 3.36Å; C108-S142 PolarHBondContact SG-OG 2.86Å; C137-S142 WeakPolarHBondContact O-CA 3.29Å; C137-S142 PolarHBondContact O-N 3.17Å; Y140-S142 PolarHBondContact O-N 3.23Å; S142-K144 PolarHBondContact O-N 3.37Å
143	K	97.8	Very high	97.9	Very high	195 Å²	195	31 Å²	31	85%	0.848	17%	0.172	S	C	*	.	S	Bend	trans	-71.5	-18.6	174.3	-63.6	176.8	-179.7	177	0	113.1	Y140 G141	Y140-K143 WeakPolarHBondContact O-CB 3.36Å; Y140-K143 WeakPolarHBondContact O-CG 3.32Å; Y140-K143 PolarHBondContact O-N 2.78Å; Y140-K143 VanDerWaalsContact O-N 3.12Å; G141-K143 PolarHBondContact O-N 2.92Å; G141-K143 VanDerWaalsContact O-N 3.17Å
144	K	97.4	Very high	97.6	Very high	69 Å²	69	31 Å²	31	30%	0.3	17%	0.172	S	C	.	.			trans	-134.7	114.7	-177.7	-169.8	-178.8	176.6	-179.7	0	108.6	I136 C137 Y140 S142 P146	I136-K144 HydrophobicContact CG2-CD 3.93Å; I136-K144 HydrophobicContact CG2-CG 4.2Å; C137-K144 WeakPolarHBondContact CA-O 3.37Å; Y140-K144 HydrophobicContact CD1-CB 3.99Å; Y140-K144 HydrophobicContact CD1-CD 3.93Å; Y140-K144 HydrophobicContact CD2-CD 4.24Å; Y140-K144 HydrophobicContact CE1-CD 3.97Å; Y140-K144 HydrophobicContact CE2-CD 4.3Å; Y140-K144 HydrophobicContact CG-CB 3.83Å; Y140-K144 HydrophobicContact CG-CD 4.07Å; S142-K144 PolarHBondContact O-N 3.37Å; K144-P146 VanDerWaalsContact C-CD 3.47Å; K144-P146 WeakPolarHBondContact O-CD 2.92Å
145	V	97.8	Very high	97.3	Very high	49 Å²	49	31.9 Å²	31.9	30%	0.297	18%	0.178	S	C	.	.			trans	-125.3	64.9	-174.5	-164.2	0	0	0	0	110.6	K109 Y110 C137	K109-V145 HydrophobicContact CG-CG1 4.29Å; Y110-V145 HydrophobicContact CD2-CG1 4.05Å; Y110-V145 HydrophobicContact CE2-CG1 3.99Å; C137-V145 HydrophobicContact CB-CG1 4.37Å
146	P	97.9	Very high	97	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.091	18%	0.178	C	C	.	.			trans	-73.7	146.4	-178.2	32.5	-30.7	0	0	0	110.1	S133 I136 K144 I148 T200 Q247	S133-P146 WeakPolarHBondContact CB-O 3.46Å; I136-P146 HydrophobicContact CB-CG 3.91Å; I136-P146 HydrophobicContact CD1-CG 3.78Å; I136-P146 HydrophobicContact CG1-CG 4.47Å; I136-P146 HydrophobicContact CG2-CG 3.58Å; K144-P146 VanDerWaalsContact C-CD 3.47Å; K144-P146 WeakPolarHBondContact O-CD 2.92Å; P146-I148 HydrophobicContact CB-CD1 4.18Å; P146-I148 HydrophobicContact CG-CD1 4.24Å; P146-T200 HydrophobicContact CB-CG2 3.94Å; P146-Q247 HydrophobicContact CB-CG 4.44Å
147	F	98.4	Very high	96.7	Very high	23 Å²	23	31.9 Å²	31.9	10%	0.101	18%	0.179	C	C	.	.			trans	-98.2	103.9	166.8	-163.3	-54.1	0	0	0	106.9	Y110 L113 K115 T200 G201 L203	Y110-F147 HydrophobicContact CD1-CD2 4.05Å; Y110-F147 HydrophobicContact CD1-CE2 4.36Å; Y110-F147 HydrophobicContact CD2-CB 4.36Å; Y110-F147 HydrophobicContact CD2-CD2 4.24Å; Y110-F147 AromaticContact CE1-CD2 3.68Å; Y110-F147 HydrophobicContact CE1-CD2 3.68Å; Y110-F147 HydrophobicContact CE1-CE2 4.22Å; Y110-F147 HydrophobicContact CE2-CB 3.73Å; Y110-F147 AromaticContact CE2-CD2 3.89Å; Y110-F147 HydrophobicContact CE2-CD2 3.89Å; Y110-F147 HydrophobicContact CE2-CG 4.18Å; Y110-F147 HydrophobicContact CG-CD2 4.33Å; Y110-F147 AromaticContact CZ-CD2 3.59Å; L113-F147 HydrophobicContact CD2-CD2 4.27Å; L113-F147 HydrophobicContact CD2-CE2 3.27Å; L113-F147 HydrophobicContact CD2-CZ 3.72Å; K115-F147 HydrophobicContact CD-CE1 4.48Å; K115-F147 HydrophobicContact CD-CZ 4.43Å; K115-F147 VanDerWaalsContact CE-CZ 3.49Å; F147-T200 CarbonylContact O-C 3.49Å; F147-T200 WeakPolarHBondContact O-CA 3.3Å; F147-T200 VanDerWaalsContact O-CB 3.29Å; F147-T200 WeakPolarHBondContact O-CB 3.46Å; F147-G201 WeakPolarHBondContact CD1-O 3.29Å; F147-G201 VanDerWaalsContact CE1-O 3.31Å; F147-G201 WeakPolarHBondContact CE1-O 3.48Å; F147-G201 PolarHBondContact O-N 3.18Å; F147-L203 HydrophobicContact CE2-CD2 4.42Å; F147-L203 HydrophobicContact CE2-CG 4.24Å; F147-L203 HydrophobicContact CZ-CD2 3.76Å; F147-L203 HydrophobicContact CZ-CG 3.97Å
148	I	98.6	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-73.5	136.6	-176.9	-59.7	-60	0	0	0	110.6	A129 M132 S133 I136 P146 D150 V198 Q247	A129-I148 HydrophobicContact CB-CB 4.38Å; A129-I148 HydrophobicContact CB-CG2 4.07Å; M132-I148 HydrophobicContact CB-CB 4.24Å; M132-I148 HydrophobicContact CB-CG1 3.95Å; M132-I148 HydrophobicContact CB-CG2 4.13Å; M132-I148 HydrophobicContact SD-CG2 4.09Å; S133-I148 WeakPolarHBondContact OG-CB 3.35Å; S133-I148 PolarHBondContact OG-N 2.89Å; I136-I148 HydrophobicContact CD1-CD1 3.64Å; I136-I148 HydrophobicContact CD1-CG1 3.91Å; P146-I148 HydrophobicContact CB-CD1 4.18Å; P146-I148 HydrophobicContact CG-CD1 4.24Å; I148-D150 PolarHBondContact O-N 2.94Å; I148-V198 HydrophobicContact CG2-CB 3.76Å; I148-V198 HydrophobicContact CG2-CG1 3.43Å; I148-V198 VanDerWaalsContact CG2-CG1 3.43Å; I148-Q247 HydrophobicContact CD1-CB 3.73Å; I148-Q247 HydrophobicContact CD1-CG 3.59Å
149	S	98.6	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.			trans	-72	113.8	-177.8	-179	0	0	0	0	111.1	E151 D152 V198 P199 K211	S149-E151 VanDerWaalsContact C-N 3.32Å; S149-E151 WeakPolarHBondContact OG-CB 3.42Å; S149-E151 PolarHBondContact OG-N 3.45Å; S149-D152 PolarHBondContact OG-N 3.36Å; S149-V198 WeakPolarHBondContact O-CG1 3.41Å; S149-P199 WeakPolarHBondContact CB-O 3.48Å; S149-P199 PolarHBondContact N-O 2.78Å; S149-K211 WeakPolarHBondContact CB-O 3.28Å; S149-K211 WeakPolarHBondContact OG-CB 3.06Å; S149-K211 PolarHBondContact OG-O 3.19Å
150	D	97.3	Very high	94.6	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-28.4	165.6	34.5	-111	0	0	0	111.8	K115 V126 A129 I148 I153 M154 Y213	K115-D150 WeakPolarHBondContact CD-OD1 3.35Å; K115-D150 IonicContact NZ-OD1 3.25Å; K115-D150 PolarHBondContact NZ-OD1 2.73Å; V126-D150 HydrophobicContact CB-CB 4.48Å; V126-D150 HydrophobicContact CG2-CB 4.07Å; A129-D150 HydrophobicContact CB-CB 3.82Å; I148-D150 PolarHBondContact O-N 2.94Å; D150-I153 PolarHBondContact O-N 3.01Å; D150-M154 WeakPolarHBondContact O-CB 3.33Å; D150-M154 PolarHBondContact O-N 3.05Å; D150-Y213 WeakPolarHBondContact OD2-CD2 3.4Å
151	E	96.2	Very high	93.4	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-53.6	-54.5	170.1	-173.8	78.5	173.5	0	0	111.7	S149 I153 M154 S155 K211 S214 P228	S149-E151 VanDerWaalsContact C-N 3.32Å; S149-E151 WeakPolarHBondContact OG-CB 3.42Å; S149-E151 PolarHBondContact OG-N 3.45Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 2.77Å; E151-M154 PolarHBondContact O-N 3.04Å; E151-M154 WeakPolarHBondContact OE2-CE 3.48Å; E151-S155 WeakPolarHBondContact O-CB 3.2Å; E151-S155 PolarHBondContact O-N 2.85Å; E151-S155 PolarHBondContact O-OG 3.43Å; E151-K211 HydrophobicContact CB-CB 4.45Å; E151-S214 VanDerWaalsContact CD-OG 3.27Å; E151-S214 VanDerWaalsContact OE1-CB 3.29Å; E151-S214 WeakPolarHBondContact OE1-CB 3.18Å; E151-S214 PolarHBondContact OE1-OG 2.86Å; E151-S214 PolarHBondContact OE2-N 2.81Å; E151-S214 VanDerWaalsContact OE2-N 3.13Å; E151-S214 PolarHBondContact OE2-OG 3.18Å; E151-P228 WeakPolarHBondContact OE1-CB 3.34Å; E151-P228 VanDerWaalsContact OE1-CG 3.24Å; E151-P228 WeakPolarHBondContact OE1-CG 3.39Å
152	D	96.4	Very high	91.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-41.5	-176.9	-168.9	76.4	0	0	0	111.7	S149 C156 Y192 V198 P199 K211 R246	S149-D152 PolarHBondContact OG-N 3.36Å; D152-C156 WeakPolarHBondContact O-CA 3.17Å; D152-C156 WeakPolarHBondContact O-CB 3.42Å; D152-C156 PolarHBondContact O-N 2.86Å; D152-Y192 PolarHBondContact OD2-OH 3.12Å; D152-V198 HydrophobicContact CB-CG1 4.17Å; D152-P199 HydrophobicContact CB-CG 3.73Å; D152-P199 WeakPolarHBondContact OD2-CD 3.44Å; D152-K211 HydrophobicContact CB-CD 3.92Å; D152-K211 WeakPolarHBondContact OD1-CD 3.44Å; D152-K211 WeakPolarHBondContact OD1-CE 3.13Å; D152-K211 IonicContact OD1-NZ 3.36Å; D152-K211 PolarHBondContact OD1-NZ 3.1Å; D152-R246 IonicContact OD1-NH1 3.03Å; D152-R246 IonicContact OD1-NH2 2.89Å; D152-R246 IonicContact OD2-CZ 2.66Å; D152-R246 IonicContact OD2-NH1 2.66Å; D152-R246 PolarHBondContact OD2-NH1 3.45Å; D152-R246 IonicContact OD2-NH2 3.69Å
153	I	95.7	Very high	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-48.4	176	-60.4	178.2	0	0	0	110	W124 A125 A129 M132 D150 E151 C157 A189 V198	W124-I153 HydrophobicContact CE3-CG2 4.38Å; W124-I153 HydrophobicContact CH2-CG2 3.98Å; W124-I153 HydrophobicContact CZ3-CG2 3.52Å; A125-I153 HydrophobicContact CB-CB 4.13Å; A125-I153 HydrophobicContact CB-CG2 3.82Å; A129-I153 HydrophobicContact CB-CD1 3.82Å; M132-I153 HydrophobicContact CE-CD1 3.87Å; M132-I153 HydrophobicContact SD-CD1 3.69Å; D150-I153 PolarHBondContact O-N 3.01Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 2.77Å; I153-C157 WeakPolarHBondContact O-CB 3.36Å; I153-C157 PolarHBondContact O-N 2.99Å; I153-C157 VanDerWaalsContact O-N 3.16Å; I153-A189 HydrophobicContact CG2-CB 3.82Å; I153-V198 HydrophobicContact CD1-CG1 4.19Å; I153-V198 HydrophobicContact CD1-CG2 4.17Å; I153-V198 HydrophobicContact CG1-CB 4.46Å; I153-V198 HydrophobicContact CG1-CG1 3.7Å; I153-V198 HydrophobicContact CG1-CG2 3.84Å
154	M	93.3	Very high	87	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-177.7	176.6	-179.5	57.8	0	0	112.3	C120 S122 A125 D150 E151 S180 Y213 I215 T227 P228	C120-M154 PolarHBondContact SG-SD 2.78Å; S122-M154 WeakPolarHBondContact CB-SD 3.24Å; A125-M154 HydrophobicContact CB-CB 4.01Å; D150-M154 WeakPolarHBondContact O-CB 3.33Å; D150-M154 PolarHBondContact O-N 3.05Å; E151-M154 PolarHBondContact O-N 3.04Å; E151-M154 WeakPolarHBondContact OE2-CE 3.48Å; M154-S180 WeakPolarHBondContact O-CB 3.14Å; M154-S180 PolarHBondContact O-OG 3.05Å; M154-Y213 HydrophobicContact CE-CD2 4.23Å; M154-Y213 HydrophobicContact CE-CE2 3.6Å; M154-Y213 HydrophobicContact SD-CE2 4.23Å; M154-I215 HydrophobicContact CE-CD1 3.88Å; M154-I215 HydrophobicContact CE-CG1 4.45Å; M154-I215 HydrophobicContact SD-CD1 4.04Å; M154-T227 HydrophobicContact CG-CG2 4.43Å; M154-P228 HydrophobicContact CE-CG 3.78Å
155	S	92.4	Very high	84.5	Confident	20 Å²	20	25.4 Å²	25.4	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-85.4	-34.7	-173.8	67.8	0	0	0	0	113.2	E151 P228 C230	E151-S155 WeakPolarHBondContact O-CB 3.2Å; E151-S155 PolarHBondContact O-N 2.85Å; E151-S155 PolarHBondContact O-OG 3.43Å; S155-P228 VanDerWaalsContact CB-O 3.26Å; S155-P228 WeakPolarHBondContact CB-O 3.27Å; S155-C230 WeakPolarHBondContact O-CB 3.37Å
156	C	92.9	Very high	82	Confident	4 Å²	4	28.2 Å²	28.2	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-111.2	-13.3	-168.3	-60.7	0	0	0	0	114.8	D152 G158 Y192 K211 C230	D152-C156 WeakPolarHBondContact O-CA 3.17Å; D152-C156 WeakPolarHBondContact O-CB 3.42Å; D152-C156 PolarHBondContact O-N 2.86Å; C156-G158 PolarHBondContact O-N 3.49Å; C156-G158 VanDerWaalsContact O-N 3.12Å; C156-Y192 WeakPolarHBondContact CB-OH 3.3Å; C156-K211 PolarHBondContact SG-NZ 3.42Å; C156-C230 VanDerWaalsContact CA-SG 3.55Å; C156-C230 HydrophobicContact CB-CB 3.95Å; C156-C230 WeakPolarHBondContact CB-SG 3.03Å; C156-C230 VanDerWaalsContact SG-CA 3.5Å; C156-C230 WeakPolarHBondContact SG-CB 3.29Å; C156-C230 CovalentContact SG-SG 2.04Å; C156-C230 PolarHBondContact SG-SG 3.29Å
157	C	91	Very high	79.2	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.041	19%	0.19	C	C	.	.			trans	-83.6	85.7	171.4	-172.9	0	0	0	0	110.7	I153 D159 C160 Y192	I153-C157 WeakPolarHBondContact O-CB 3.36Å; I153-C157 PolarHBondContact O-N 2.99Å; I153-C157 VanDerWaalsContact O-N 3.16Å; C157-D159 VanDerWaalsContact C-N 3.33Å; C157-D159 PolarHBondContact O-N 2.9Å; C157-C160 HydrophobicContact CB-CB 3.58Å; C157-C160 WeakPolarHBondContact CB-SG 3.34Å; C157-C160 PolarHBondContact O-N 2.63Å; C157-C160 VanDerWaalsContact O-N 3.11Å; C157-C160 WeakPolarHBondContact SG-CB 3.47Å; C157-C160 PolarHBondContact SG-N 3.34Å; C157-C160 CovalentContact SG-SG 2.01Å; C157-C160 PolarHBondContact SG-SG 3.39Å; C157-Y192 HydrophobicContact CB-CD1 4.21Å; C157-Y192 HydrophobicContact CB-CD2 3.68Å; C157-Y192 HydrophobicContact CB-CE2 4.06Å; C157-Y192 HydrophobicContact CB-CG 3.77Å
158	G	81.8	Confident	76.3	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52.1	-49.7	178.5	0	0	0	0	0	112.7	C156 C160 G163 L164	C156-G158 PolarHBondContact O-N 3.49Å; C156-G158 VanDerWaalsContact O-N 3.12Å; G158-C160 VanDerWaalsContact C-N 3.26Å; G158-C160 PolarHBondContact O-N 3.39Å; G158-G163 CarbonylContact C-O 3.55Å; G158-G163 CarbonylContact O-C 3.6Å; G158-G163 WeakPolarHBondContact O-CA 3.47Å; G158-G163 PolarHBondContact O-N 2.64Å; G158-L164 WeakPolarHBondContact CA-O 3.07Å
159	D	82.4	Confident	73.4	Confident	130 Å²	130	46 Å²	46	70%	0.695	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18.1	-178.2	-62.5	-32.4	0	0	0	114.1	C157 L188	C157-D159 VanDerWaalsContact C-N 3.33Å; C157-D159 PolarHBondContact O-N 2.9Å; D159-L188 WeakPolarHBondContact O-CD1 3.44Å
160	C	87	Confident	70.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-79.9	-26	-175.2	-63.9	0	0	0	0	113.3	W124 C157 G158 G184 Y185 L188 A189	W124-C160 HydrophobicContact CE3-CB 4.17Å; W124-C160 HydrophobicContact CH2-CB 3.36Å; W124-C160 HydrophobicContact CZ2-CB 4.41Å; W124-C160 HydrophobicContact CZ3-CB 3.22Å; C157-C160 HydrophobicContact CB-CB 3.58Å; C157-C160 WeakPolarHBondContact CB-SG 3.34Å; C157-C160 PolarHBondContact O-N 2.63Å; C157-C160 VanDerWaalsContact O-N 3.11Å; C157-C160 WeakPolarHBondContact SG-CB 3.47Å; C157-C160 PolarHBondContact SG-N 3.34Å; C157-C160 CovalentContact SG-SG 2.01Å; C157-C160 PolarHBondContact SG-SG 3.39Å; G158-C160 VanDerWaalsContact C-N 3.26Å; G158-C160 PolarHBondContact O-N 3.39Å; C160-G184 CarbonylContact O-C 3.55Å; C160-G184 WeakPolarHBondContact O-CA 2.97Å; C160-Y185 VanDerWaalsContact O-CD2 3.27Å; C160-Y185 WeakPolarHBondContact O-CD2 3.5Å; C160-Y185 PolarHBondContact O-N 2.96Å; C160-L188 HydrophobicContact CB-CB 4.2Å; C160-L188 PolarHBondContact SG-O 3.17Å; C160-L188 VanDerWaalsContact SG-O 3.41Å; C160-A189 VanDerWaalsContact SG-CA 3.58Å; C160-A189 PolarHBondContact SG-N 2.7Å; C160-A189 VanDerWaalsContact SG-N 3.39Å
161	G	72.8	Confident	68	Low	7 Å²	7	58.5 Å²	58.5	7%	0.072	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-110.4	-164.7	174.3	0	0	0	0	0	110.4	G163	G161-G163 PolarHBondContact O-N 2.85Å; G161-G163 VanDerWaalsContact O-N 3.1Å
162	D	63.8	Low	65.6	Low	58 Å²	58	60.6 Å²	60.6	31%	0.31	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	46.1	155.1	-70.7	-8	0	0	0	107.6	K70 F178	K70-D162 IonicContact NZ-OD1 3.21Å; K70-D162 PolarHBondContact NZ-OD1 3.04Å; K70-D162 IonicContact NZ-OD2 3.18Å; K70-D162 PolarHBondContact NZ-OD2 3.39Å; D162-F178 HydrophobicContact CB-CB 4.47Å; D162-F178 HydrophobicContact CB-CD1 3.62Å; D162-F178 HydrophobicContact CB-CE1 4.22Å; D162-F178 HydrophobicContact CB-CG 4.35Å; D162-F178 CarbonylContact O-C 2.98Å; D162-F178 WeakPolarHBondContact O-CA 3.42Å; D162-F178 WeakPolarHBondContact O-CB 3.4Å; D162-F178 WeakPolarHBondContact O-CD1 3.29Å; D162-F178 VanDerWaalsContact O-O 3.1Å
163	G	50	Low	63	Low	22 Å²	22	67.2 Å²	67.2	23%	0.227	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-90	151.7	-177.6	0	0	0	0	0	111.2	G158 G161	G158-G163 CarbonylContact C-O 3.55Å; G158-G163 CarbonylContact O-C 3.6Å; G158-G163 WeakPolarHBondContact O-CA 3.47Å; G158-G163 PolarHBondContact O-N 2.64Å; G161-G163 PolarHBondContact O-N 2.85Å; G161-G163 VanDerWaalsContact O-N 3.1Å
164	L	44.6	Very low	60.5	Low	83 Å²	83	73.6 Å²	73.6	44%	0.435	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-73.7	152.1	174.4	-71.1	170.9	0	0	0	111.3	G158 V170 Y175	G158-L164 WeakPolarHBondContact CA-O 3.07Å; L164-V170 HydrophobicContact CD1-CG2 3.77Å; L164-Y175 HydrophobicContact CD1-CD1 3.79Å; L164-Y175 HydrophobicContact CD1-CE1 3.67Å; L164-Y175 HydrophobicContact CD2-CE1 4.19Å; L164-Y175 HydrophobicContact CG-CD1 4.44Å; L164-Y175 HydrophobicContact CG-CE1 4.37Å
165	P	46.1	Very low	58.2	Low	83 Å²	83	77.2 Å²	77.2	54%	0.539	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-57.8	154.3	169.3	-18.7	30.2	0	0	0	111.6	S167	P165-S167 PolarHBondContact O-N 3.33Å
166	D	45.9	Very low	55.8	Low	108 Å²	108	79.5 Å²	79.5	58%	0.578	45%	0.447	S	S	*	.	S	Bend	trans	-49.2	-1.6	-176.6	-82.2	-32.9	0	0	0	117.2
167	S	37.4	Very low	53.3	Low	84 Å²	84	87 Å²	87	59%	0.587	48%	0.479	S	S	*	.			trans	-134.4	96.5	-179.7	62.9	0	0	0	0	110.7	P165	P165-S167 PolarHBondContact O-N 3.33Å
168	Q	38.1	Very low	51.5	Low	167 Å²	167	91.4 Å²	91.4	78%	0.78	50%	0.498	S	S	*	.				168.9	142	124.5	-91	169.5	41.8	0	0	112.4	V170	Q168-V170 WeakPolarHBondContact O-CG2 3.41Å; Q168-V170 PolarHBondContact O-N 3.44Å
169	I	37.4	Very low	50.7	Low	161 Å²	161	91.9 Å²	91.9	83%	0.826	50%	0.499	S	S	*	.			trans	-53.8	121.2	165.5	-61.8	162.2	0	0	0	108.3
170	V	42.6	Very low	50.8	Low	71 Å²	71	86 Å²	86	43%	0.43	47%	0.467	S	S	.	.			trans	-152.7	127.7	167	-121.3	0	0	0	0	114.1	L164 Q168 Y175	L164-V170 HydrophobicContact CD1-CG2 3.77Å; Q168-V170 WeakPolarHBondContact O-CG2 3.41Å; Q168-V170 PolarHBondContact O-N 3.44Å; V170-Y175 HydrophobicContact CB-CD2 4.15Å; V170-Y175 HydrophobicContact CB-CE1 4.38Å; V170-Y175 HydrophobicContact CB-CE2 3.43Å; V170-Y175 VanDerWaalsContact CB-CE2 3.43Å; V170-Y175 HydrophobicContact CG1-CE2 3.63Å; V170-Y175 VanDerWaalsContact CG1-OH 3.23Å; V170-Y175 WeakPolarHBondContact CG1-OH 3.45Å; V170-Y175 HydrophobicContact CG2-CE1 4.34Å; V170-Y175 HydrophobicContact CG2-CE2 4.24Å
171	Q	40.2	Very low	51	Low	194 Å²	194	86 Å²	86	91%	0.907	47%	0.468	S	S	*	.			trans	-121.8	53.1	-158.5	-159.8	174.5	36	0	0	110.1
172	S	45.7	Very low	51.6	Low	63 Å²	63	88.4 Å²	88.4	44%	0.441	48%	0.479	S	S	.	.			trans	-138.5	155.9	-179.7	77.3	0	0	0	0	115.2	M174 Y175	S172-M174 PolarHBondContact O-N 3.38Å; S172-Y175 WeakPolarHBondContact O-CB 3.28Å; S172-Y175 WeakPolarHBondContact O-CD2 3.24Å; S172-Y175 PolarHBondContact O-N 3.33Å; S172-Y175 VanDerWaalsContact O-N 3.16Å; S172-Y175 WeakPolarHBondContact OG-CD2 3.2Å; S172-Y175 WeakPolarHBondContact OG-CE2 3.33Å
173	V	43.1	Very low	52.9	Low	139 Å²	139	85.7 Å²	85.7	84%	0.842	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-65	-21.9	-169.7	-137.8	0	0	0	0	113.5	Y175 A176	V173-Y175 PolarHBondContact O-N 2.92Å; V173-A176 PolarHBondContact O-N 3.41Å
174	M	42.9	Very low	54.8	Low	133 Å²	133	84.6 Å²	84.6	66%	0.655	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.7	175.3	-111.7	-167	67.7	0	0	113	S172 A176 F177	S172-M174 PolarHBondContact O-N 3.38Å; M174-A176 VanDerWaalsContact C-N 3.33Å; M174-A176 PolarHBondContact O-N 2.77Å; M174-F177 PolarHBondContact O-N 2.74Å
175	Y	45.3	Very low	56.9	Low	77 Å²	77	81.8 Å²	81.8	30%	0.302	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-77.1	-14.3	-176	-65.5	-66.5	0	0	0	114.4	L164 V170 S172 V173 F177 F178	L164-Y175 HydrophobicContact CD1-CD1 3.79Å; L164-Y175 HydrophobicContact CD1-CE1 3.67Å; L164-Y175 HydrophobicContact CD2-CE1 4.19Å; L164-Y175 HydrophobicContact CG-CD1 4.44Å; L164-Y175 HydrophobicContact CG-CE1 4.37Å; V170-Y175 HydrophobicContact CB-CD2 4.15Å; V170-Y175 HydrophobicContact CB-CE1 4.38Å; V170-Y175 HydrophobicContact CB-CE2 3.43Å; V170-Y175 VanDerWaalsContact CB-CE2 3.43Å; V170-Y175 HydrophobicContact CG1-CE2 3.63Å; V170-Y175 VanDerWaalsContact CG1-OH 3.23Å; V170-Y175 WeakPolarHBondContact CG1-OH 3.45Å; V170-Y175 HydrophobicContact CG2-CE1 4.34Å; V170-Y175 HydrophobicContact CG2-CE2 4.24Å; S172-Y175 WeakPolarHBondContact O-CB 3.28Å; S172-Y175 WeakPolarHBondContact O-CD2 3.24Å; S172-Y175 PolarHBondContact O-N 3.33Å; S172-Y175 VanDerWaalsContact O-N 3.16Å; S172-Y175 WeakPolarHBondContact OG-CD2 3.2Å; S172-Y175 WeakPolarHBondContact OG-CE2 3.33Å; V173-Y175 PolarHBondContact O-N 2.92Å; Y175-F177 PolarHBondContact O-N 3.06Å; Y175-F177 VanDerWaalsContact O-N 3.11Å; Y175-F178 PolarHBondContact O-N 3.08Å
176	A	40.3	Very low	59.1	Low	68 Å²	68	77.8 Å²	77.8	56%	0.562	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.7	171.5	0	0	0	0	0	112.6	V173 M174 N182	V173-A176 PolarHBondContact O-N 3.41Å; M174-A176 VanDerWaalsContact C-N 3.33Å; M174-A176 PolarHBondContact O-N 2.77Å; A176-N182 PolarHBondContact O-ND2 3.27Å
177	F	41.8	Very low	61.2	Low	162 Å²	162	73.2 Å²	73.2	71%	0.711	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-76	-33.7	173.4	-86.3	-92.9	0	0	0	113.1	M174 Y175 C179	M174-F177 PolarHBondContact O-N 2.74Å; Y175-F177 PolarHBondContact O-N 3.06Å; Y175-F177 VanDerWaalsContact O-N 3.11Å; F177-C179 VanDerWaalsContact C-N 3.26Å; F177-C179 PolarHBondContact O-N 3.28Å; F177-C179 VanDerWaalsContact O-N 3.08Å
178	F	53.3	Low	63.8	Low	98 Å²	98	70 Å²	70	43%	0.43	37%	0.365	S	S	.	.	S	Bend	trans	-89.2	56.3	-177.2	-74.5	-82.4	0	0	0	111.2	D162 Y175	D162-F178 HydrophobicContact CB-CB 4.47Å; D162-F178 HydrophobicContact CB-CD1 3.62Å; D162-F178 HydrophobicContact CB-CE1 4.22Å; D162-F178 HydrophobicContact CB-CG 4.35Å; D162-F178 CarbonylContact O-C 2.98Å; D162-F178 WeakPolarHBondContact O-CA 3.42Å; D162-F178 WeakPolarHBondContact O-CB 3.4Å; D162-F178 WeakPolarHBondContact O-CD1 3.29Å; D162-F178 VanDerWaalsContact O-O 3.1Å; Y175-F178 PolarHBondContact O-N 3.08Å
179	C	64.9	Low	66.5	Low	22 Å²	22	62.1 Å²	62.1	15%	0.149	33%	0.328	C	S	.	.			trans	-111.4	127.6	-176.3	-120.3	0	0	0	0	110.6	F177 C181 N182 T227	F177-C179 VanDerWaalsContact C-N 3.26Å; F177-C179 PolarHBondContact O-N 3.28Å; F177-C179 VanDerWaalsContact O-N 3.08Å; C179-C181 PolarHBondContact O-N 3.29Å; C179-N182 HydrophobicContact CB-CB 4.42Å; C179-N182 VanDerWaalsContact CB-ND2 3.32Å; C179-N182 WeakPolarHBondContact CB-ND2 3.31Å; C179-N182 WeakPolarHBondContact O-CA 3.34Å; C179-N182 VanDerWaalsContact O-CB 3.32Å; C179-N182 WeakPolarHBondContact O-CB 3.44Å; C179-N182 PolarHBondContact O-N 3.34Å; C179-T227 PolarHBondContact SG-OG1 3.04Å
180	S	84.5	Confident	69.2	Low	5 Å²	5	54.4 Å²	54.4	4%	0.035	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.5	-25.5	171.4	-67.1	0	0	0	0	113.3	W124 M154 N182 G183 T227	W124-S180 PolarHBondContact NE1-O 3.12Å; W124-S180 VanDerWaalsContact NE1-O 3.09Å; M154-S180 WeakPolarHBondContact O-CB 3.14Å; M154-S180 PolarHBondContact O-OG 3.05Å; S180-N182 PolarHBondContact O-N 3.46Å; S180-G183 PolarHBondContact O-N 3.34Å; S180-T227 PolarHBondContact N-OG1 3.02Å; S180-T227 VanDerWaalsContact N-OG1 3.07Å
181	C	89.9	Confident	71.6	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-71.4	-6.2	168.5	-75.9	0	0	0	0	114.6	C120 G121 C179 G183 T224 A225 T227	C120-C181 HydrophobicContact CB-CB 3.93Å; C120-C181 WeakPolarHBondContact CB-SG 3.2Å; C120-C181 WeakPolarHBondContact SG-CA 3.09Å; C120-C181 WeakPolarHBondContact SG-CB 3.36Å; C120-C181 CovalentContact SG-SG 2.04Å; C120-C181 PolarHBondContact SG-SG 3.18Å; G121-C181 WeakPolarHBondContact CA-O 3.31Å; G121-C181 PolarHBondContact N-O 2.74Å; C179-C181 PolarHBondContact O-N 3.29Å; C181-G183 VanDerWaalsContact C-N 3.32Å; C181-T224 HydrophobicContact CB-CG2 3.77Å; C181-T224 WeakPolarHBondContact O-CG2 3.21Å; C181-A225 WeakPolarHBondContact CB-O 3.4Å; C181-T227 PolarHBondContact N-OG1 3.14Å
182	N	86.9	Confident	74.2	Confident	57 Å²	57	44.7 Å²	44.7	31%	0.305	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-97	17.1	169	-63.5	-34.8	0	0	0	112	K70 A176 C179 S180	K70-N182 WeakPolarHBondContact CE-O 3.23Å; A176-N182 PolarHBondContact O-ND2 3.27Å; C179-N182 HydrophobicContact CB-CB 4.42Å; C179-N182 VanDerWaalsContact CB-ND2 3.32Å; C179-N182 WeakPolarHBondContact CB-ND2 3.31Å; C179-N182 WeakPolarHBondContact O-CA 3.34Å; C179-N182 VanDerWaalsContact O-CB 3.32Å; C179-N182 WeakPolarHBondContact O-CB 3.44Å; C179-N182 PolarHBondContact O-N 3.34Å; S180-N182 PolarHBondContact O-N 3.46Å
183	G	89.5	Confident	76.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.			trans	100.4	165.8	175.3	0	0	0	0	0	115	G68 K70 G121 S180 C181	G68-G183 CarbonylContact O-C 3.08Å; G68-G183 WeakPolarHBondContact O-CA 3.14Å; K70-G183 WeakPolarHBondContact CE-O 3.44Å; K70-G183 PolarHBondContact NZ-O 3.49Å; K70-G183 VanDerWaalsContact NZ-O 3.12Å; G121-G183 WeakPolarHBondContact O-CA 3.39Å; S180-G183 PolarHBondContact O-N 3.34Å; C181-G183 VanDerWaalsContact C-N 3.32Å
184	G	89.8	Confident	79.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-162.7	-169.1	-176.4	0	0	0	0	0	113	G68 V69 K70 C160	G68-G184 PolarHBondContact O-N 3.44Å; V69-G184 WeakPolarHBondContact CA-O 3.42Å; K70-G184 PolarHBondContact N-O 2.88Å; C160-G184 CarbonylContact O-C 3.55Å; C160-G184 WeakPolarHBondContact O-CA 2.97Å
185	Y	89.8	Confident	81.7	Confident	23 Å²	23	36.2 Å²	36.2	9%	0.09	19%	0.188	C	C	.	.			trans	-113.6	106.7	-172.2	-54	-85.3	0	0	0	109.9	K70 K72 C160 A187 L188 A189	K70-Y185 HydrophobicContact CB-CD1 3.9Å; K70-Y185 HydrophobicContact CB-CE1 3.36Å; K70-Y185 HydrophobicContact CB-CE2 4.03Å; K70-Y185 HydrophobicContact CB-CG 4.44Å; K70-Y185 VanDerWaalsContact CB-CZ 3.42Å; K70-Y185 HydrophobicContact CD-CE2 4.17Å; K70-Y185 VanDerWaalsContact O-CD1 3.23Å; K70-Y185 WeakPolarHBondContact O-CD1 3.43Å; K70-Y185 WeakPolarHBondContact O-CE1 3.36Å; K72-Y185 HydrophobicContact CB-CE1 4.49Å; K72-Y185 HydrophobicContact CG-CE1 4.07Å; C160-Y185 VanDerWaalsContact O-CD2 3.27Å; C160-Y185 WeakPolarHBondContact O-CD2 3.5Å; C160-Y185 PolarHBondContact O-N 2.96Å; Y185-A187 PolarHBondContact O-N 3.01Å; Y185-L188 HydrophobicContact CD2-CD1 3.86Å; Y185-L188 HydrophobicContact CG-CD1 4.1Å; Y185-L188 PolarHBondContact O-N 2.85Å; Y185-A189 PolarHBondContact O-N 3.24Å
186	P	92.2	Very high	84.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.1	-37.8	178.4	-25.9	32.7	0	0	0	113.7	W124 L188 A189 F190 V272 A302	W124-P186 HydrophobicContact CB-CG 3.89Å; P186-L188 VanDerWaalsContact C-N 3.29Å; P186-L188 PolarHBondContact O-N 3.45Å; P186-A189 WeakPolarHBondContact O-CB 3.27Å; P186-A189 PolarHBondContact O-N 2.86Å; P186-A189 VanDerWaalsContact O-N 3.13Å; P186-F190 VanDerWaalsContact O-CD2 3.3Å; P186-F190 WeakPolarHBondContact O-CD2 3.45Å; P186-F190 PolarHBondContact O-N 2.78Å; P186-V272 HydrophobicContact CB-CG1 3.76Å; P186-V272 HydrophobicContact CG-CG1 4.17Å; P186-A302 HydrophobicContact CG-CB 3.96Å
187	A	90.3	Very high	86.8	Confident	12 Å²	12	34.6 Å²	34.6	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-51	-44.4	173.2	0	0	0	0	0	113.4	M81 Y185 F190 K191	M81-A187 HydrophobicContact CG-CB 4.24Å; M81-A187 HydrophobicContact SD-CB 3.34Å; M81-A187 WeakPolarHBondContact SD-CB 3.42Å; Y185-A187 PolarHBondContact O-N 3.01Å; A187-F190 PolarHBondContact O-N 3.11Å; A187-K191 PolarHBondContact O-N 3.36Å
188	L	91.2	Very high	89.5	Confident	17 Å²	17	26.9 Å²	26.9	9%	0.089	14%	0.137	C	C	.	.	H	α-helix	trans	-75.4	-27.6	-178.6	-61.7	-176.1	0	0	0	112.1	D159 C160 Y185 P186 F190 K191 Y192	D159-L188 WeakPolarHBondContact O-CD1 3.44Å; C160-L188 HydrophobicContact CB-CB 4.2Å; C160-L188 PolarHBondContact SG-O 3.17Å; C160-L188 VanDerWaalsContact SG-O 3.41Å; Y185-L188 HydrophobicContact CD2-CD1 3.86Å; Y185-L188 HydrophobicContact CG-CD1 4.1Å; Y185-L188 PolarHBondContact O-N 2.85Å; P186-L188 VanDerWaalsContact C-N 3.29Å; P186-L188 PolarHBondContact O-N 3.45Å; L188-F190 PolarHBondContact O-N 3.44Å; L188-K191 HydrophobicContact CD2-CD 3.88Å; L188-K191 WeakPolarHBondContact O-CB 3.3Å; L188-K191 PolarHBondContact O-N 3.45Å; L188-K191 VanDerWaalsContact O-N 3.08Å; L188-Y192 PolarHBondContact O-N 2.78Å
189	A	94.3	Very high	91.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-37.4	172.7	0	0	0	0	0	111.6	W124 M132 I153 C160 Y185 P186 Y192 W193	W124-A189 HydrophobicContact CE3-CB 4.33Å; W124-A189 HydrophobicContact CZ3-CB 4.2Å; M132-A189 HydrophobicContact CE-CB 4.28Å; M132-A189 VanDerWaalsContact CE-O 3.29Å; M132-A189 WeakPolarHBondContact CE-O 3.41Å; I153-A189 HydrophobicContact CG2-CB 3.82Å; C160-A189 VanDerWaalsContact SG-CA 3.58Å; C160-A189 PolarHBondContact SG-N 2.7Å; C160-A189 VanDerWaalsContact SG-N 3.39Å; Y185-A189 PolarHBondContact O-N 3.24Å; P186-A189 WeakPolarHBondContact O-CB 3.27Å; P186-A189 PolarHBondContact O-N 2.86Å; P186-A189 VanDerWaalsContact O-N 3.13Å; A189-Y192 WeakPolarHBondContact O-CB 3.46Å; A189-Y192 PolarHBondContact O-N 3.16Å; A189-W193 PolarHBondContact O-N 2.89Å
190	F	95.3	Very high	93.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-33.1	174.7	-67.7	-65.4	0	0	0	113.2	V131 M132 P186 A187 L188 W193 E194 P252 V272 C350 A352	V131-F190 HydrophobicContact CB-CE1 4.45Å; V131-F190 HydrophobicContact CB-CZ 4.25Å; V131-F190 HydrophobicContact CG1-CE1 3.94Å; V131-F190 HydrophobicContact CG1-CZ 3.89Å; M132-F190 HydrophobicContact CE-CD1 3.8Å; M132-F190 HydrophobicContact CE-CE1 4.08Å; M132-F190 HydrophobicContact CE-CG 4.46Å; M132-F190 HydrophobicContact CG-CD1 4.48Å; M132-F190 HydrophobicContact CG-CE1 4.19Å; P186-F190 VanDerWaalsContact O-CD2 3.3Å; P186-F190 WeakPolarHBondContact O-CD2 3.45Å; P186-F190 PolarHBondContact O-N 2.78Å; A187-F190 PolarHBondContact O-N 3.11Å; L188-F190 PolarHBondContact O-N 3.44Å; F190-W193 HydrophobicContact CD1-CE3 4.05Å; F190-W193 HydrophobicContact CD1-CZ3 4.47Å; F190-W193 PolarHBondContact O-N 3.18Å; F190-E194 PolarHBondContact O-N 2.79Å; F190-P252 HydrophobicContact CB-CB 3.78Å; F190-V272 HydrophobicContact CE2-CB 4.18Å; F190-V272 HydrophobicContact CE2-CG2 4.01Å; F190-V272 HydrophobicContact CZ-CB 4.36Å; F190-V272 HydrophobicContact CZ-CG2 3.78Å; F190-C350 HydrophobicContact CD2-CB 4.34Å; F190-C350 HydrophobicContact CE2-CB 4.31Å; F190-C350 WeakPolarHBondContact CE2-O 3.14Å; F190-A352 HydrophobicContact CB-CB 4.11Å; F190-A352 HydrophobicContact CD1-CB 3.89Å; F190-A352 HydrophobicContact CG-CB 4.3Å
191	K	93.1	Very high	93.9	Very high	43 Å²	43	21.6 Å²	21.6	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-69.3	-37.3	171.9	-65.9	-173.9	-177	171.1	0	112.5	R80 A187 L188 W193 E194 S195 P252	R80-K191 VanDerWaalsContact O-CE 3.23Å; R80-K191 WeakPolarHBondContact O-CE 3.02Å; R80-K191 PolarHBondContact O-NZ 3.16Å; A187-K191 PolarHBondContact O-N 3.36Å; L188-K191 HydrophobicContact CD2-CD 3.88Å; L188-K191 WeakPolarHBondContact O-CB 3.3Å; L188-K191 PolarHBondContact O-N 3.45Å; L188-K191 VanDerWaalsContact O-N 3.08Å; K191-W193 VanDerWaalsContact C-N 3.31Å; K191-E194 PolarHBondContact O-N 3.5Å; K191-S195 WeakPolarHBondContact O-CB 3.33Å; K191-S195 PolarHBondContact O-N 3.32Å; K191-S195 PolarHBondContact O-OG 2.04Å; K191-P252 HydrophobicContact CG-CB 4.32Å; K191-P252 HydrophobicContact CG-CG 3.85Å
192	Y	94.5	Very high	94.3	Very high	18 Å²	18	21.6 Å²	21.6	7%	0.071	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-43.3	172.1	-177.8	-101.1	0	0	0	110.9	D152 C156 C157 L188 A189 E194 S195 K196 G197 V198 R246	D152-Y192 PolarHBondContact OD2-OH 3.12Å; C156-Y192 WeakPolarHBondContact CB-OH 3.3Å; C157-Y192 HydrophobicContact CB-CD1 4.21Å; C157-Y192 HydrophobicContact CB-CD2 3.68Å; C157-Y192 HydrophobicContact CB-CE2 4.06Å; C157-Y192 HydrophobicContact CB-CG 3.77Å; L188-Y192 PolarHBondContact O-N 2.78Å; A189-Y192 WeakPolarHBondContact O-CB 3.46Å; A189-Y192 PolarHBondContact O-N 3.16Å; Y192-E194 VanDerWaalsContact C-N 3.33Å; Y192-E194 PolarHBondContact O-N 2.77Å; Y192-S195 PolarHBondContact O-N 3.04Å; Y192-K196 HydrophobicContact CD2-CB 4.05Å; Y192-K196 HydrophobicContact CD2-CG 3.94Å; Y192-K196 HydrophobicContact CE2-CB 3.77Å; Y192-K196 HydrophobicContact CE2-CG 3.77Å; Y192-K196 PolarHBondContact O-N 3.47Å; Y192-G197 PolarHBondContact O-N 3.45Å; Y192-G197 VanDerWaalsContact O-N 3.14Å; Y192-V198 HydrophobicContact CD1-CG2 3.82Å; Y192-V198 HydrophobicContact CE1-CG2 3.96Å; Y192-R246 PolarHBondContact OH-NH1 3.15Å
193	W	97.7	Very high	94.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-35.7	176.2	-175.6	36.7	0	0	0	113.8	M132 I136 A189 F190 K191 G197 V198 Q247 Y248 G249 A352 A354	M132-W193 HydrophobicContact CB-CD2 4.22Å; M132-W193 HydrophobicContact CB-CE3 4.34Å; M132-W193 HydrophobicContact CB-CH2 4.21Å; M132-W193 HydrophobicContact CB-CZ2 4.14Å; M132-W193 HydrophobicContact CB-CZ3 4.3Å; M132-W193 HydrophobicContact CE-CB 3.55Å; M132-W193 HydrophobicContact CE-CD2 4.22Å; M132-W193 HydrophobicContact CE-CE3 4.24Å; M132-W193 HydrophobicContact CE-CG 3.99Å; M132-W193 HydrophobicContact CG-CD2 3.58Å; M132-W193 HydrophobicContact CG-CE3 3.52Å; M132-W193 HydrophobicContact CG-CG 4.12Å; M132-W193 HydrophobicContact CG-CH2 4.23Å; M132-W193 HydrophobicContact CG-CZ2 4.33Å; M132-W193 HydrophobicContact CG-CZ3 3.83Å; M132-W193 HydrophobicContact SD-CB 3.85Å; M132-W193 HydrophobicContact SD-CD2 3.83Å; M132-W193 HydrophobicContact SD-CE3 4.21Å; M132-W193 HydrophobicContact SD-CG 3.68Å; I136-W193 HydrophobicContact CD1-CZ2 3.75Å; I136-W193 HydrophobicContact CG1-CH2 4.22Å; I136-W193 HydrophobicContact CG1-CZ2 3.62Å; A189-W193 PolarHBondContact O-N 2.89Å; F190-W193 HydrophobicContact CD1-CE3 4.05Å; F190-W193 HydrophobicContact CD1-CZ3 4.47Å; F190-W193 PolarHBondContact O-N 3.18Å; K191-W193 VanDerWaalsContact C-N 3.31Å; W193-G197 WeakPolarHBondContact O-CA 3.46Å; W193-G197 PolarHBondContact O-N 2Å; W193-V198 HydrophobicContact CB-CG2 4.1Å; W193-V198 HydrophobicContact CG-CG2 4.3Å; W193-Q247 PolarHBondContact NE1-O 3.1Å; W193-Y248 VanDerWaalsContact NE1-C 3.29Å; W193-G249 VanDerWaalsContact CD2-CA 3.48Å; W193-G249 VanDerWaalsContact CE2-CA 3.45Å; W193-G249 VanDerWaalsContact CE2-N 3.25Å; W193-G249 VanDerWaalsContact NE1-N 3.19Å; W193-G249 PolarHBondContact O-N 2.8Å; W193-G249 VanDerWaalsContact O-N 3.11Å; W193-A352 HydrophobicContact CE3-CB 3.83Å; W193-A352 HydrophobicContact CZ3-CB 3.82Å; W193-A354 HydrophobicContact CH2-CB 4.09Å; W193-A354 HydrophobicContact CZ2-CB 4.31Å
194	E	96.4	Very high	95.1	Very high	77 Å²	77	27.4 Å²	27.4	36%	0.36	14%	0.135	S	C	.	.	H	α-helix	trans	-69.4	-50.4	172.9	177.2	177.2	-119.8	0	0	112.3	F190 K191 Y192 G249 Q251 P252	F190-E194 PolarHBondContact O-N 2.79Å; K191-E194 PolarHBondContact O-N 3.5Å; Y192-E194 VanDerWaalsContact C-N 3.33Å; Y192-E194 PolarHBondContact O-N 2.77Å; E194-G249 WeakPolarHBondContact CA-O 3.3Å; E194-Q251 PolarHBondContact OE1-N 3.09Å; E194-P252 VanDerWaalsContact OE1-CD 3.3Å; E194-P252 WeakPolarHBondContact OE1-CD 3.13Å; E194-P252 WeakPolarHBondContact OE2-CD 3.23Å
195	S	95	Very high	95.3	Very high	79 Å²	79	30.6 Å²	30.6	55%	0.552	17%	0.168	S	C	*	.	H	α-helix	trans	-82.5	-38.1	-168.8	57.9	0	0	0	0	114.4	K191 Y192	K191-S195 WeakPolarHBondContact O-CB 3.33Å; K191-S195 PolarHBondContact O-N 3.32Å; K191-S195 PolarHBondContact O-OG 2.04Å; Y192-S195 PolarHBondContact O-N 3.04Å
196	K	95.6	Very high	95.5	Very high	112 Å²	112	31.1 Å²	31.1	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-26.2	-175.8	-59.3	-62.2	-176.4	172.9	0	112.4	Y192 R246 Y248	Y192-K196 HydrophobicContact CD2-CB 4.05Å; Y192-K196 HydrophobicContact CD2-CG 3.94Å; Y192-K196 HydrophobicContact CE2-CB 3.77Å; Y192-K196 HydrophobicContact CE2-CG 3.77Å; Y192-K196 PolarHBondContact O-N 3.47Å; K196-R246 WeakPolarHBondContact O-CD 3.37Å; K196-Y248 WeakPolarHBondContact O-CE1 3.33Å; K196-Y248 PolarHBondContact O-OH 3.35Å
197	G	97.7	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.			trans	73.5	163.6	-170.3	0	0	0	0	0	111.6	Y192 W193 R246 Q247	Y192-G197 PolarHBondContact O-N 3.45Å; Y192-G197 VanDerWaalsContact O-N 3.14Å; W193-G197 WeakPolarHBondContact O-CA 3.46Å; W193-G197 PolarHBondContact O-N 2Å; G197-R246 PolarHBondContact O-NH1 3.4Å; G197-Q247 CarbonylContact C-O 3.55Å; G197-Q247 WeakPolarHBondContact CA-O 3.47Å
198	V	98.3	Very high	95.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-129.5	130.9	-178.4	-171.5	0	0	0	0	109.2	M132 I148 S149 D152 I153 Y192 W193 Q247	M132-V198 HydrophobicContact SD-CG2 4.15Å; I148-V198 HydrophobicContact CG2-CB 3.76Å; I148-V198 HydrophobicContact CG2-CG1 3.43Å; I148-V198 VanDerWaalsContact CG2-CG1 3.43Å; S149-V198 WeakPolarHBondContact O-CG1 3.41Å; D152-V198 HydrophobicContact CB-CG1 4.17Å; I153-V198 HydrophobicContact CD1-CG1 4.19Å; I153-V198 HydrophobicContact CD1-CG2 4.17Å; I153-V198 HydrophobicContact CG1-CB 4.46Å; I153-V198 HydrophobicContact CG1-CG1 3.7Å; I153-V198 HydrophobicContact CG1-CG2 3.84Å; Y192-V198 HydrophobicContact CD1-CG2 3.82Å; Y192-V198 HydrophobicContact CE1-CG2 3.96Å; W193-V198 HydrophobicContact CB-CG2 4.1Å; W193-V198 HydrophobicContact CG-CG2 4.3Å; V198-Q247 PolarHBondContact N-O 3.32Å; V198-Q247 WeakPolarHBondContact O-CB 3.14Å; V198-Q247 PolarHBondContact O-N 3.11Å
199	P	98.5	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.			trans	-74.1	175.9	177.7	37.3	-39.5	0	0	0	111.4	S149 D152 C210 K211 L242 D245	S149-P199 WeakPolarHBondContact CB-O 3.48Å; S149-P199 PolarHBondContact N-O 2.78Å; D152-P199 HydrophobicContact CB-CG 3.73Å; D152-P199 WeakPolarHBondContact OD2-CD 3.44Å; P199-C210 HydrophobicContact CB-CB 3.95Å; P199-K211 HydrophobicContact CG-CD 4.2Å; P199-L242 HydrophobicContact CB-CD1 3.71Å; P199-L242 HydrophobicContact CG-CD1 3.63Å; P199-D245 HydrophobicContact CB-CB 4.36Å
200	T	98.7	Very high	96.3	Very high	14 Å²	14	43.4 Å²	43.4	9%	0.086	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-77	156.2	170.9	63.5	0	0	0	0	111.9	P146 F147 G209 C210 K211 Y238 D245	P146-T200 HydrophobicContact CB-CG2 3.94Å; F147-T200 CarbonylContact O-C 3.49Å; F147-T200 WeakPolarHBondContact O-CA 3.3Å; F147-T200 VanDerWaalsContact O-CB 3.29Å; F147-T200 WeakPolarHBondContact O-CB 3.46Å; T200-G209 WeakPolarHBondContact OG1-CA 3.48Å; T200-C210 CarbonylContact O-C 3.6Å; T200-C210 WeakPolarHBondContact O-CA 3.24Å; T200-C210 WeakPolarHBondContact O-CB 3.24Å; T200-C210 PolarHBondContact O-N 3.35Å; T200-C210 PolarHBondContact OG1-N 3.08Å; T200-C210 VanDerWaalsContact OG1-N 3.17Å; T200-K211 PolarHBondContact O-N 3.08Å; T200-Y238 PolarHBondContact OG1-OH 3.21Å; T200-D245 WeakPolarHBondContact CB-OD2 3.48Å; T200-D245 PolarHBondContact N-OD2 3.33Å; T200-D245 PolarHBondContact OG1-OD2 2.98Å
201	G	98.3	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.			trans	-176.6	115.8	-179.6	0	0	0	0	0	111.7	F147 K211	F147-G201 WeakPolarHBondContact CD1-O 3.29Å; F147-G201 VanDerWaalsContact CE1-O 3.31Å; F147-G201 WeakPolarHBondContact CE1-O 3.48Å; F147-G201 PolarHBondContact O-N 3.18Å; G201-K211 VanDerWaalsContact CA-C 3.45Å; G201-K211 WeakPolarHBondContact CA-O 3.34Å
202	G	97.2	Very high	96.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.233	C	C	.	.			trans	-78.9	-171	-177	0	0	0	0	0	114.3	S206 T208 P212 Y213	G202-S206 WeakPolarHBondContact CA-OG 3.41Å; G202-T208 PolarHBondContact N-O 3.39Å; G202-P212 CarbonylContact O-C 3.51Å; G202-P212 VanDerWaalsContact O-CA 3.3Å; G202-P212 WeakPolarHBondContact O-CA 3.01Å; G202-Y213 PolarHBondContact O-N 2.83Å
203	L	97.1	Very high	96.8	Very high	72 Å²	72	42.1 Å²	42.1	38%	0.377	23%	0.232	S	C	.	.	S	Bend	trans	-64.5	164.4	176.7	-60.7	173.4	0	0	0	111.8	K115 F147 G205 S206	K115-L203 HydrophobicContact CB-CD2 4.47Å; K115-L203 HydrophobicContact CG-CD2 4.07Å; F147-L203 HydrophobicContact CE2-CD2 4.42Å; F147-L203 HydrophobicContact CE2-CG 4.24Å; F147-L203 HydrophobicContact CZ-CD2 3.76Å; F147-L203 HydrophobicContact CZ-CG 3.97Å; L203-G205 PolarHBondContact O-N 2.86Å; L203-S206 PolarHBondContact N-OG 2.91Å; L203-S206 WeakPolarHBondContact O-CB 3.35Å; L203-S206 PolarHBondContact O-N 3.43Å; L203-S206 PolarHBondContact O-OG 3.43Å
204	Y	96	Very high	96.7	Very high	107 Å²	107	45.1 Å²	45.1	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	138.8	170.2	174	-96.8	0	0	0	112.2	S206 Y213 R216 P217	Y204-S206 PolarHBondContact O-N 3.47Å; Y204-S206 VanDerWaalsContact O-N 3.13Å; Y204-Y213 VanDerWaalsContact CA-O 3.28Å; Y204-Y213 WeakPolarHBondContact CA-O 3.26Å; Y204-R216 HydrophobicContact CD1-CG 4.44Å; Y204-R216 HydrophobicContact CD2-CB 4.33Å; Y204-R216 HydrophobicContact CE1-CB 4.05Å; Y204-R216 HydrophobicContact CE1-CG 3.67Å; Y204-R216 VanDerWaalsContact CE2-CA 3.48Å; Y204-R216 HydrophobicContact CE2-CB 3.7Å; Y204-R216 HydrophobicContact CE2-CG 4.25Å; Y204-R216 WeakPolarHBondContact OH-CG 2.99Å; Y204-P217 HydrophobicContact CD1-CG 4.27Å
205	G	93.8	Very high	96.6	Very high	67 Å²	67	42.2 Å²	42.2	69%	0.691	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-7.6	-178.8	0	0	0	0	0	114.8	L203	L203-G205 PolarHBondContact O-N 2.86Å
206	S	95.2	Very high	96.5	Very high	34 Å²	34	46 Å²	46	24%	0.238	24%	0.242	C	C	.	.			trans	-77.7	150.8	174.5	78.9	0	0	0	0	111.6	G202 L203 Y204 T208 P212	G202-S206 WeakPolarHBondContact CA-OG 3.41Å; L203-S206 PolarHBondContact N-OG 2.91Å; L203-S206 WeakPolarHBondContact O-CB 3.35Å; L203-S206 PolarHBondContact O-N 3.43Å; L203-S206 PolarHBondContact O-OG 3.43Å; Y204-S206 PolarHBondContact O-N 3.47Å; Y204-S206 VanDerWaalsContact O-N 3.13Å; S206-T208 VanDerWaalsContact C-N 3.33Å; S206-T208 WeakPolarHBondContact CB-OG1 3.09Å; S206-T208 PolarHBondContact OG-OG1 2.98Å; S206-T208 VanDerWaalsContact OG-OG1 3.05Å; S206-P212 WeakPolarHBondContact O-CG 3.36Å
207	K	93.7	Very high	96.2	Very high	190 Å²	190	43.4 Å²	43.4	83%	0.826	24%	0.236	S	C	*	.			trans	-99.9	23.4	167.8	-61.3	-173.4	178.9	-177.1	0	111.8
208	T	94.9	Very high	95.5	Very high	85 Å²	85	43.9 Å²	43.9	52%	0.521	24%	0.24	S	C	.	.			trans	-100.1	130.2	-173.3	55.4	0	0	0	0	111.1	G202 S206	G202-T208 PolarHBondContact N-O 3.39Å; S206-T208 VanDerWaalsContact C-N 3.33Å; S206-T208 WeakPolarHBondContact CB-OG1 3.09Å; S206-T208 PolarHBondContact OG-OG1 2.98Å; S206-T208 VanDerWaalsContact OG-OG1 3.05Å
209	G	97.5	Very high	94.4	Very high	12 Å²	12	51.9 Å²	51.9	12%	0.124	28%	0.277	C	S	.	.	S	Bend	trans	80.7	173.7	-178.7	0	0	0	0	0	113.3	T200	T200-G209 WeakPolarHBondContact OG1-CA 3.48Å
210	C	98.4	Very high	93.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-68.2	-44.7	-175.6	175.6	0	0	0	0	113.1	P199 T200 C234 I235 Y238 L242 D245	P199-C210 HydrophobicContact CB-CB 3.95Å; T200-C210 CarbonylContact O-C 3.6Å; T200-C210 WeakPolarHBondContact O-CA 3.24Å; T200-C210 WeakPolarHBondContact O-CB 3.24Å; T200-C210 PolarHBondContact O-N 3.35Å; T200-C210 PolarHBondContact OG1-N 3.08Å; T200-C210 VanDerWaalsContact OG1-N 3.17Å; C210-C234 HydrophobicContact CB-CB 3.83Å; C210-C234 WeakPolarHBondContact CB-SG 3.31Å; C210-C234 CarbonylContact O-C 3.54Å; C210-C234 VanDerWaalsContact O-CA 3.29Å; C210-C234 WeakPolarHBondContact O-CA 3.4Å; C210-C234 WeakPolarHBondContact O-CB 3.49Å; C210-C234 WeakPolarHBondContact SG-CA 2.93Å; C210-C234 WeakPolarHBondContact SG-CB 3.35Å; C210-C234 CovalentContact SG-SG 2.03Å; C210-C234 PolarHBondContact SG-SG 3.31Å; C210-I235 PolarHBondContact O-N 3.12Å; C210-Y238 HydrophobicContact CB-CD1 3.88Å; C210-Y238 HydrophobicContact CB-CE1 3.7Å; C210-L242 VanDerWaalsContact SG-CD1 3.59Å; C210-D245 HydrophobicContact CB-CB 4.33Å; C210-D245 WeakPolarHBondContact CB-OD2 3.35Å
211	K	97.8	Very high	92.5	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.035	31%	0.308	C	S	.	.	S	Bend	trans	-134.6	77.9	-174.9	-70.6	-175.4	172.5	-170.5	0	112.1	S149 E151 D152 C156 P199 T200 G201 T231 L242	S149-K211 WeakPolarHBondContact CB-O 3.28Å; S149-K211 WeakPolarHBondContact OG-CB 3.06Å; S149-K211 PolarHBondContact OG-O 3.19Å; E151-K211 HydrophobicContact CB-CB 4.45Å; D152-K211 HydrophobicContact CB-CD 3.92Å; D152-K211 WeakPolarHBondContact OD1-CD 3.44Å; D152-K211 WeakPolarHBondContact OD1-CE 3.13Å; D152-K211 IonicContact OD1-NZ 3.36Å; D152-K211 PolarHBondContact OD1-NZ 3.1Å; C156-K211 PolarHBondContact SG-NZ 3.42Å; P199-K211 HydrophobicContact CG-CD 4.2Å; T200-K211 PolarHBondContact O-N 3.08Å; G201-K211 VanDerWaalsContact CA-C 3.45Å; G201-K211 WeakPolarHBondContact CA-O 3.34Å; K211-T231 WeakPolarHBondContact CE-O 3.49Å; K211-T231 WeakPolarHBondContact CE-OG1 3.42Å; K211-T231 PolarHBondContact NZ-O 3.18Å; K211-L242 HydrophobicContact CD-CD1 4.49Å
212	P	97.8	Very high	91.5	Very high	16 Å²	16	62.4 Å²	62.4	10%	0.104	34%	0.337	C	S	.	.			trans	-59.8	154.2	173.8	-15.8	28.6	0	0	0	112	G202 S206 S214 I235	G202-P212 CarbonylContact O-C 3.51Å; G202-P212 VanDerWaalsContact O-CA 3.3Å; G202-P212 WeakPolarHBondContact O-CA 3.01Å; S206-P212 WeakPolarHBondContact O-CG 3.36Å; P212-S214 PolarHBondContact O-N 2.79Å; P212-I235 HydrophobicContact CG-CD1 3.82Å; P212-I235 HydrophobicContact CG-CG2 4.27Å
213	Y	97.6	Very high	90.9	Very high	11 Å²	11	70 Å²	70	4%	0.043	37%	0.366	C	S	.	.			trans	-60	128.4	176.8	-161	-118.3	0	0	0	111.3	Q117 S122 D150 M154 G202 Y204 I215	Q117-Y213 PolarHBondContact O-OH 2.97Å; Q117-Y213 VanDerWaalsContact O-OH 3.11Å; S122-Y213 PolarHBondContact OG-OH 2.81Å; D150-Y213 WeakPolarHBondContact OD2-CD2 3.4Å; M154-Y213 HydrophobicContact CE-CD2 4.23Å; M154-Y213 HydrophobicContact CE-CE2 3.6Å; M154-Y213 HydrophobicContact SD-CE2 4.23Å; G202-Y213 PolarHBondContact O-N 2.83Å; Y204-Y213 VanDerWaalsContact CA-O 3.28Å; Y204-Y213 WeakPolarHBondContact CA-O 3.26Å; Y213-I215 HydrophobicContact CD1-CB 4.26Å; Y213-I215 WeakPolarHBondContact CD1-O 3.01Å; Y213-I215 HydrophobicContact CE1-CB 3.68Å; Y213-I215 HydrophobicContact CE1-CG1 4.38Å
214	S	95.7	Very high	90.3	Very high	63 Å²	63	68.6 Å²	68.6	44%	0.441	36%	0.361	S	S	.	.			trans	-96.3	-17.5	-172.9	65.3	0	0	0	0	114	E151 P212 R216 P228	E151-S214 VanDerWaalsContact CD-OG 3.27Å; E151-S214 VanDerWaalsContact OE1-CB 3.29Å; E151-S214 WeakPolarHBondContact OE1-CB 3.18Å; E151-S214 PolarHBondContact OE1-OG 2.86Å; E151-S214 PolarHBondContact OE2-N 2.81Å; E151-S214 VanDerWaalsContact OE2-N 3.13Å; E151-S214 PolarHBondContact OE2-OG 3.18Å; P212-S214 PolarHBondContact O-N 2.79Å; S214-R216 PolarHBondContact O-N 3.25Å; S214-P228 WeakPolarHBondContact OG-CG 3.17Å
215	I	94.3	Very high	89.9	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.077	35%	0.346	C	S	.	.	S	Bend	trans	-82.1	116.3	-176.9	-51	179.5	0	0	0	109.5	C120 M154 Y213 A225 P228	C120-I215 HydrophobicContact CB-CD1 3.53Å; M154-I215 HydrophobicContact CE-CD1 3.88Å; M154-I215 HydrophobicContact CE-CG1 4.45Å; M154-I215 HydrophobicContact SD-CD1 4.04Å; Y213-I215 HydrophobicContact CD1-CB 4.26Å; Y213-I215 WeakPolarHBondContact CD1-O 3.01Å; Y213-I215 HydrophobicContact CE1-CB 3.68Å; Y213-I215 HydrophobicContact CE1-CG1 4.38Å; I215-A225 HydrophobicContact CD1-CB 4.02Å; I215-A225 HydrophobicContact CG2-CB 3.76Å; I215-P228 HydrophobicContact CD1-CG 4.33Å; I215-P228 HydrophobicContact CG1-CG 4.14Å
216	R	92.4	Very high	89.6	Confident	160 Å²	160	68 Å²	68	60%	0.604	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.1	136.9	178.5	-174	-177.5	67.6	-163.4	-0.9	110.6	S118 Y204 S214 C218	S118-R216 VanDerWaalsContact CB-O 3.28Å; S118-R216 WeakPolarHBondContact CB-O 3.49Å; S118-R216 PolarHBondContact OG-O 2.99Å; Y204-R216 HydrophobicContact CD1-CG 4.44Å; Y204-R216 HydrophobicContact CD2-CB 4.33Å; Y204-R216 HydrophobicContact CE1-CB 4.05Å; Y204-R216 HydrophobicContact CE1-CG 3.67Å; Y204-R216 VanDerWaalsContact CE2-CA 3.48Å; Y204-R216 HydrophobicContact CE2-CB 3.7Å; Y204-R216 HydrophobicContact CE2-CG 4.25Å; Y204-R216 WeakPolarHBondContact OH-CG 2.99Å; S214-R216 PolarHBondContact O-N 3.25Å; R216-C218 PolarHBondContact O-N 3.42Å
217	P	89.6	Confident	89.3	Confident	56 Å²	56	67.2 Å²	67.2	36%	0.364	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-49.2	131.6	164.9	-28.1	36	0	0	0	110.9	Y204	Y204-P217 HydrophobicContact CD1-CG 4.27Å
218	C	82.9	Confident	89.1	Confident	11 Å²	11	59.3 Å²	59.3	7%	0.074	31%	0.306	C	S	.	.			trans	-131.6	124.9	-175.8	-166.5	0	0	0	0	111.3	R65 S118 R216 S220 C221	R65-C218 PolarHBondContact NH2-O 2.77Å; S118-C218 WeakPolarHBondContact OG-CB 3.34Å; S118-C218 PolarHBondContact OG-N 2.82Å; R216-C218 PolarHBondContact O-N 3.42Å; C218-S220 PolarHBondContact SG-O 3.18Å; C218-C221 HydrophobicContact CB-CB 3.87Å; C218-C221 WeakPolarHBondContact CB-SG 3.41Å; C218-C221 WeakPolarHBondContact SG-CB 3Å; C218-C221 CovalentContact SG-SG 2Å; C218-C221 PolarHBondContact SG-SG 2.82Å
219	E	75.5	Confident	88.9	Confident	168 Å²	168	61.4 Å²	61.4	79%	0.785	31%	0.309	S	S	*	.	S	Bend	trans	-88.4	-36.1	176.7	-64.7	177.8	174.5	0	0	111.6	M57	M57-E219 WeakPolarHBondContact CE-O 3.36Å
220	S	74.7	Confident	88.6	Confident	93 Å²	93	63.4 Å²	63.4	65%	0.65	32%	0.321	S	S	*	.	S	Bend	trans	-132	106.4	174.6	-178.2	0	0	0	0	110.3	C218	C218-S220 PolarHBondContact SG-O 3.18Å
221	C	81.4	Confident	88.3	Confident	14 Å²	14	66.8 Å²	66.8	10%	0.095	34%	0.341	C	S	.	.			trans	-148	95.2	-175.4	-90.2	0	0	0	0	110.1	E61 N119 C218 Y223	E61-C221 WeakPolarHBondContact CG-O 3.44Å; E61-C221 PolarHBondContact OE1-N 3.43Å; N119-C221 HydrophobicContact CB-CB 3.6Å; N119-C221 WeakPolarHBondContact ND2-CB 3Å; N119-C221 PolarHBondContact ND2-SG 2.87Å; C218-C221 HydrophobicContact CB-CB 3.87Å; C218-C221 WeakPolarHBondContact CB-SG 3.41Å; C218-C221 WeakPolarHBondContact SG-CB 3Å; C218-C221 CovalentContact SG-SG 2Å; C218-C221 PolarHBondContact SG-SG 2.82Å; C221-Y223 PolarHBondContact O-N 2.87Å; C221-Y223 VanDerWaalsContact O-N 3.12Å
222	E	78.5	Confident	88.1	Confident	127 Å²	127	74.9 Å²	74.9	59%	0.593	38%	0.376	S	S	*	.	S	Bend	trans	-67.2	-12	-176.2	-63.5	-169.9	165.7	0	0	115.7	K60	K60-E222 VanDerWaalsContact CE-O 3.25Å; K60-E222 WeakPolarHBondContact CE-O 3.26Å; K60-E222 PolarHBondContact NZ-O 2.91Å
223	Y	83.8	Confident	88	Confident	162 Å²	162	81.2 Å²	81.2	64%	0.635	41%	0.405	S	S	*	.	S	Bend	trans	-124.1	150.1	-176.4	56	-91.1	0	0	0	111.6	L64 N119 C221 A225	L64-Y223 VanDerWaalsContact CD1-C 3.41Å; L64-Y223 WeakPolarHBondContact CD1-O 3.38Å; N119-Y223 PolarHBondContact ND2-O 3.13Å; C221-Y223 PolarHBondContact O-N 2.87Å; C221-Y223 VanDerWaalsContact O-N 3.12Å; Y223-A225 PolarHBondContact O-N 2.88Å
224	T	84.3	Confident	88	Confident	42 Å²	42	81.9 Å²	81.9	26%	0.258	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.5	133.6	171.3	-44.8	0	0	0	0	109.3	L64 N119 C181	L64-T224 VanDerWaalsContact CD2-OG1 3.22Å; L64-T224 WeakPolarHBondContact CD2-OG1 3.38Å; N119-T224 WeakPolarHBondContact O-CA 3.45Å; C181-T224 HydrophobicContact CB-CG2 3.77Å; C181-T224 WeakPolarHBondContact O-CG2 3.21Å
225	A	88.4	Confident	88	Confident	12 Å²	12	81.7 Å²	81.7	10%	0.099	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-57.5	143.7	169.6	0	0	0	0	0	110.7	N119 C120 C181 I215 Y223 T227	N119-A225 PolarHBondContact ND2-N 3.38Å; N119-A225 PolarHBondContact O-N 2.99Å; C120-A225 HydrophobicContact CB-CB 4.16Å; C181-A225 WeakPolarHBondContact CB-O 3.4Å; I215-A225 HydrophobicContact CD1-CB 4.02Å; I215-A225 HydrophobicContact CG2-CB 3.76Å; Y223-A225 PolarHBondContact O-N 2.88Å; A225-T227 PolarHBondContact O-N 2.91Å
226	K	87.3	Confident	88.1	Confident	149 Å²	149	87.2 Å²	87.2	65%	0.648	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-64.4	134.3	170.7	-171.1	-171.3	167.6	-166.8	0	108.3	P228 E229	K226-P228 WeakPolarHBondContact O-CD 3.35Å; K226-E229 IonicContact NZ-OE1 3.71Å; K226-E229 PolarHBondContact NZ-OE1 3.26Å
227	T	88.7	Confident	88.2	Confident	18 Å²	18	83.4 Å²	83.4	11%	0.11	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-58.6	126.1	169.4	-58.7	0	0	0	0	108.8	M154 C179 S180 C181 A225	M154-T227 HydrophobicContact CG-CG2 4.43Å; C179-T227 PolarHBondContact SG-OG1 3.04Å; S180-T227 PolarHBondContact N-OG1 3.02Å; S180-T227 VanDerWaalsContact N-OG1 3.07Å; C181-T227 PolarHBondContact N-OG1 3.14Å; A225-T227 PolarHBondContact O-N 2.91Å
228	P	90.3	Very high	88.5	Confident	24 Å²	24	83.5 Å²	83.5	16%	0.156	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-59.2	148.6	175.1	-24.7	35.6	0	0	0	111.9	E151 M154 S155 S214 I215 K226	E151-P228 WeakPolarHBondContact OE1-CB 3.34Å; E151-P228 VanDerWaalsContact OE1-CG 3.24Å; E151-P228 WeakPolarHBondContact OE1-CG 3.39Å; M154-P228 HydrophobicContact CE-CG 3.78Å; S155-P228 VanDerWaalsContact CB-O 3.26Å; S155-P228 WeakPolarHBondContact CB-O 3.27Å; S214-P228 WeakPolarHBondContact OG-CG 3.17Å; I215-P228 HydrophobicContact CD1-CG 4.33Å; I215-P228 HydrophobicContact CG1-CG 4.14Å; K226-P228 WeakPolarHBondContact O-CD 3.35Å
229	E	89.8	Confident	89.1	Confident	129 Å²	129	88.3 Å²	88.3	60%	0.603	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-67.4	140.3	176.8	-60	-66	152.4	0	0	110.6	K226 T231	K226-E229 IonicContact NZ-OE1 3.71Å; K226-E229 PolarHBondContact NZ-OE1 3.26Å; E229-T231 PolarHBondContact O-N 3.27Å; E229-T231 VanDerWaalsContact O-N 3.1Å
230	C	91.6	Very high	90	Very high	53 Å²	53	85.2 Å²	85.2	36%	0.358	47%	0.466	S	S	.	.			trans	-69.3	108.5	171.9	179.3	0	0	0	0	110.8	S155 C156	S155-C230 WeakPolarHBondContact O-CB 3.37Å; C156-C230 VanDerWaalsContact CA-SG 3.55Å; C156-C230 HydrophobicContact CB-CB 3.95Å; C156-C230 WeakPolarHBondContact CB-SG 3.03Å; C156-C230 VanDerWaalsContact SG-CA 3.5Å; C156-C230 WeakPolarHBondContact SG-CB 3.29Å; C156-C230 CovalentContact SG-SG 2.04Å; C156-C230 PolarHBondContact SG-SG 3.29Å
231	T	92.2	Very high	91	Very high	71 Å²	71	85 Å²	85	44%	0.436	46%	0.457	S	S	.	.			trans	-89.8	150.1	175.4	63.6	0	0	0	0	112	K211 E229 E233	K211-T231 WeakPolarHBondContact CE-O 3.49Å; K211-T231 WeakPolarHBondContact CE-OG1 3.42Å; K211-T231 PolarHBondContact NZ-O 3.18Å; E229-T231 PolarHBondContact O-N 3.27Å; E229-T231 VanDerWaalsContact O-N 3.1Å; T231-E233 VanDerWaalsContact C-N 3.35Å; T231-E233 PolarHBondContact OG1-O 3.13Å
232	K	93.2	Very high	91.8	Very high	178 Å²	178	85.2 Å²	85.2	77%	0.774	46%	0.457	S	S	*	.	S	Bend	trans	-95.4	9.5	175.6	-65.4	-175.5	179.9	177.8	0	113.4	L242	K232-L242 WeakPolarHBondContact O-CD2 3.37Å
233	E	95.6	Very high	92.7	Very high	149 Å²	149	85 Å²	85	70%	0.696	46%	0.457	S	S	*	.	S	Bend	trans	-132.7	156.8	-174.7	-62.9	-175.9	174.9	0	0	111	T231	T231-E233 VanDerWaalsContact C-N 3.35Å; T231-E233 PolarHBondContact OG1-O 3.13Å
234	C	97.7	Very high	93.3	Very high	25 Å²	25	85 Å²	85	17%	0.169	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-79.9	166.6	169.2	-58.7	0	0	0	0	110.4	C210 Y238 K240 L242	C210-C234 HydrophobicContact CB-CB 3.83Å; C210-C234 WeakPolarHBondContact CB-SG 3.31Å; C210-C234 CarbonylContact O-C 3.54Å; C210-C234 VanDerWaalsContact O-CA 3.29Å; C210-C234 WeakPolarHBondContact O-CA 3.4Å; C210-C234 WeakPolarHBondContact O-CB 3.49Å; C210-C234 WeakPolarHBondContact SG-CA 2.93Å; C210-C234 WeakPolarHBondContact SG-CB 3.35Å; C210-C234 CovalentContact SG-SG 2.03Å; C210-C234 PolarHBondContact SG-SG 3.31Å; C234-Y238 HydrophobicContact CB-CD1 3.86Å; C234-Y238 HydrophobicContact CB-CG 4.4Å; C234-K240 PolarHBondContact SG-O 3.45Å; C234-K240 VanDerWaalsContact SG-O 3.33Å; C234-L242 VanDerWaalsContact SG-CA 3.6Å; C234-L242 PolarHBondContact SG-N 3.47Å
235	I	96.7	Very high	94	Very high	60 Å²	60	83 Å²	83	31%	0.308	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-55.2	149.1	170	60.9	170.7	0	0	0	111.7	C210 P212 G237 Y238	C210-I235 PolarHBondContact O-N 3.12Å; P212-I235 HydrophobicContact CG-CD1 3.82Å; P212-I235 HydrophobicContact CG-CG2 4.27Å; I235-G237 PolarHBondContact O-N 3.08Å; I235-Y238 WeakPolarHBondContact O-CB 3.25Å; I235-Y238 PolarHBondContact O-N 3.39Å; I235-Y238 VanDerWaalsContact O-N 3.17Å
236	S	95.7	Very high	94.4	Very high	130 Å²	130	84.1 Å²	84.1	91%	0.909	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	136.5	176.7	-176	0	0	0	0	111.4	Y238	S236-Y238 VanDerWaalsContact C-N 3.31Å; S236-Y238 PolarHBondContact O-N 3.34Å
237	G	93.6	Very high	94.9	Very high	80 Å²	80	78 Å²	78	83%	0.825	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-6	-178.6	0	0	0	0	0	115.4	I235	I235-G237 PolarHBondContact O-N 3.08Å
238	Y	96.7	Very high	95.4	Very high	59 Å²	59	80.9 Å²	80.9	23%	0.231	43%	0.432	C	S	.	.			trans	-72.7	130.5	171.9	-170	-112.9	0	0	0	110.7	T200 C210 C234 I235 S236 K240 D245	T200-Y238 PolarHBondContact OG1-OH 3.21Å; C210-Y238 HydrophobicContact CB-CD1 3.88Å; C210-Y238 HydrophobicContact CB-CE1 3.7Å; C234-Y238 HydrophobicContact CB-CD1 3.86Å; C234-Y238 HydrophobicContact CB-CG 4.4Å; I235-Y238 WeakPolarHBondContact O-CB 3.25Å; I235-Y238 PolarHBondContact O-N 3.39Å; I235-Y238 VanDerWaalsContact O-N 3.17Å; S236-Y238 VanDerWaalsContact C-N 3.31Å; S236-Y238 PolarHBondContact O-N 3.34Å; Y238-K240 HydrophobicContact CD1-CB 4.3Å; Y238-K240 VanDerWaalsContact CD1-O 3.25Å; Y238-K240 WeakPolarHBondContact CD1-O 3.3Å; Y238-K240 HydrophobicContact CE1-CB 3.8Å; Y238-K240 PolarHBondContact O-N 2.98Å; Y238-D245 HydrophobicContact CE1-CB 4.22Å; Y238-D245 PolarHBondContact OH-OD1 2.01Å
239	S	94.8	Very high	95.8	Very high	112 Å²	112	79.8 Å²	79.8	78%	0.783	43%	0.425	S	S	*	.	S	Bend	trans	-73.5	-22.9	-165.8	63.2	0	0	0	0	114.8
240	K	95.9	Very high	96.1	Very high	102 Å²	102	76.6 Å²	76.6	44%	0.443	41%	0.409	S	S	.	.	S	Bend	trans	-104	141.6	-179.1	-63.8	175.6	-176.3	173.8	0	109.4	C234 Y238 D245	C234-K240 PolarHBondContact SG-O 3.45Å; C234-K240 VanDerWaalsContact SG-O 3.33Å; Y238-K240 HydrophobicContact CD1-CB 4.3Å; Y238-K240 VanDerWaalsContact CD1-O 3.25Å; Y238-K240 WeakPolarHBondContact CD1-O 3.3Å; Y238-K240 HydrophobicContact CE1-CB 3.8Å; Y238-K240 PolarHBondContact O-N 2.98Å; K240-D245 HydrophobicContact CB-CB 4.28Å; K240-D245 WeakPolarHBondContact CD-OD1 3.2Å
241	N	95.9	Very high	96.2	Very high	88 Å²	88	79.9 Å²	79.9	47%	0.471	42%	0.419	S	S	.	.			trans	-70.9	160.2	166.5	69.3	46.5	0	0	0	111	Q243 K244 D245	N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-Q243 PolarHBondContact O-N 3.37Å; N241-Q243 PolarHBondContact OD1-N 3.43Å; N241-K244 PolarHBondContact O-N 3.2Å; N241-K244 WeakPolarHBondContact OD1-CB 3.47Å; N241-K244 WeakPolarHBondContact OD1-CG 3.29Å; N241-K244 PolarHBondContact OD1-N 3.41Å; N241-D245 PolarHBondContact O-N 3Å; N241-D245 VanDerWaalsContact O-N 3.17Å
242	L	97.4	Very high	96.3	Very high	19 Å²	19	77.3 Å²	77.3	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-52.9	-48.6	-175.3	176.2	60.2	0	0	0	112.3	P199 C210 K211 K232 C234 K244 D245 R246	P199-L242 HydrophobicContact CB-CD1 3.71Å; P199-L242 HydrophobicContact CG-CD1 3.63Å; C210-L242 VanDerWaalsContact SG-CD1 3.59Å; K211-L242 HydrophobicContact CD-CD1 4.49Å; K232-L242 WeakPolarHBondContact O-CD2 3.37Å; C234-L242 VanDerWaalsContact SG-CA 3.6Å; C234-L242 PolarHBondContact SG-N 3.47Å; L242-K244 VanDerWaalsContact C-N 3.35Å; L242-K244 PolarHBondContact O-N 2.84Å; L242-D245 PolarHBondContact O-N 2.79Å; L242-D245 VanDerWaalsContact O-N 3.1Å; L242-R246 WeakPolarHBondContact O-CG 3.24Å; L242-R246 PolarHBondContact O-N 2.85Å
243	Q	96.6	Very high	96.4	Very high	124 Å²	124	69.4 Å²	69.4	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-63.4	-39	-175.3	-169.8	60.3	23.2	0	0	112.8	N241 D245 Y248	N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-Q243 PolarHBondContact O-N 3.37Å; N241-Q243 PolarHBondContact OD1-N 3.43Å; Q243-D245 VanDerWaalsContact C-N 3.29Å; Q243-D245 PolarHBondContact O-N 3.41Å; Q243-Y248 PolarHBondContact NE2-OH 3.2Å
244	K	97.1	Very high	96.2	Very high	161 Å²	161	63.1 Å²	63.1	70%	0.7	34%	0.342	S	S	*	.	H	α-helix	trans	-75	-18.3	177.3	-71.2	-178.1	178.7	-179.1	0	113.3	N241 L242	N241-K244 PolarHBondContact O-N 3.2Å; N241-K244 WeakPolarHBondContact OD1-CB 3.47Å; N241-K244 WeakPolarHBondContact OD1-CG 3.29Å; N241-K244 PolarHBondContact OD1-N 3.41Å; L242-K244 VanDerWaalsContact C-N 3.35Å; L242-K244 PolarHBondContact O-N 2.84Å
245	D	98.2	Very high	95.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-91.2	-14.6	179.9	-159.2	67.1	0	0	0	113.4	P199 T200 C210 Y238 K240 N241 L242 Q243 Q247	P199-D245 HydrophobicContact CB-CB 4.36Å; T200-D245 WeakPolarHBondContact CB-OD2 3.48Å; T200-D245 PolarHBondContact N-OD2 3.33Å; T200-D245 PolarHBondContact OG1-OD2 2.98Å; C210-D245 HydrophobicContact CB-CB 4.33Å; C210-D245 WeakPolarHBondContact CB-OD2 3.35Å; Y238-D245 HydrophobicContact CE1-CB 4.22Å; Y238-D245 PolarHBondContact OH-OD1 2.01Å; K240-D245 HydrophobicContact CB-CB 4.28Å; K240-D245 WeakPolarHBondContact CD-OD1 3.2Å; N241-D245 PolarHBondContact O-N 3Å; N241-D245 VanDerWaalsContact O-N 3.17Å; L242-D245 PolarHBondContact O-N 2.79Å; L242-D245 VanDerWaalsContact O-N 3.1Å; Q243-D245 VanDerWaalsContact C-N 3.29Å; Q243-D245 PolarHBondContact O-N 3.41Å; D245-Q247 PolarHBondContact O-N 2.93Å; D245-Q247 PolarHBondContact O-NE2 3.03Å
246	R	98.1	Very high	95.5	Very high	35 Å²	35	62.6 Å²	62.6	13%	0.132	35%	0.347	C	S	.	.			trans	-59.5	133	178.2	-68.1	-160.9	177.7	-84.3	-6.3	111.8	D152 Y192 K196 G197 L242 Y248	D152-R246 IonicContact OD1-NH1 3.03Å; D152-R246 IonicContact OD1-NH2 2.89Å; D152-R246 IonicContact OD2-CZ 2.66Å; D152-R246 IonicContact OD2-NH1 2.66Å; D152-R246 PolarHBondContact OD2-NH1 3.45Å; D152-R246 IonicContact OD2-NH2 3.69Å; Y192-R246 PolarHBondContact OH-NH1 3.15Å; K196-R246 WeakPolarHBondContact O-CD 3.37Å; G197-R246 PolarHBondContact O-NH1 3.4Å; L242-R246 WeakPolarHBondContact O-CG 3.24Å; L242-R246 PolarHBondContact O-N 2.85Å; R246-Y248 HydrophobicContact CB-CE2 3.83Å
247	Q	98.3	Very high	95.2	Very high	20 Å²	20	58.1 Å²	58.1	9%	0.093	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-108.1	136.1	174.5	-52.1	-55	-49	0	0	108.3	I136 P146 I148 W193 G197 V198 D245	I136-Q247 HydrophobicContact CD1-CB 3.81Å; I136-Q247 HydrophobicContact CD1-CG 4.32Å; P146-Q247 HydrophobicContact CB-CG 4.44Å; I148-Q247 HydrophobicContact CD1-CB 3.73Å; I148-Q247 HydrophobicContact CD1-CG 3.59Å; W193-Q247 PolarHBondContact NE1-O 3.1Å; G197-Q247 CarbonylContact C-O 3.55Å; G197-Q247 WeakPolarHBondContact CA-O 3.47Å; V198-Q247 PolarHBondContact N-O 3.32Å; V198-Q247 WeakPolarHBondContact O-CB 3.14Å; V198-Q247 PolarHBondContact O-N 3.11Å; D245-Q247 PolarHBondContact O-N 2.93Å; D245-Q247 PolarHBondContact O-NE2 3.03Å
248	Y	98.3	Very high	95.2	Very high	79 Å²	79	55.4 Å²	55.4	31%	0.31	28%	0.283	S	S	.	.			trans	-110.9	141.3	-173.8	-66.4	-93.5	0	0	0	111.5	W193 K196 Q243 R246 Y355	W193-Y248 VanDerWaalsContact NE1-C 3.29Å; K196-Y248 WeakPolarHBondContact O-CE1 3.33Å; K196-Y248 PolarHBondContact O-OH 3.35Å; Q243-Y248 PolarHBondContact NE2-OH 3.2Å; R246-Y248 HydrophobicContact CB-CE2 3.83Å; Y248-Y355 PolarHBondContact O-N 2.92Å
249	G	97.7	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	177.2	167.8	0	0	0	0	0	110.7	W193 E194 Y353 Y355	W193-G249 VanDerWaalsContact CD2-CA 3.48Å; W193-G249 VanDerWaalsContact CE2-CA 3.45Å; W193-G249 VanDerWaalsContact CE2-N 3.25Å; W193-G249 VanDerWaalsContact NE1-N 3.19Å; W193-G249 PolarHBondContact O-N 2.8Å; W193-G249 VanDerWaalsContact O-N 3.11Å; E194-G249 WeakPolarHBondContact CA-O 3.3Å; G249-Y353 CarbonylContact C-O 3.6Å; G249-Y353 WeakPolarHBondContact CA-O 3.21Å; G249-Y355 WeakPolarHBondContact O-CD2 2.84Å; G249-Y355 VanDerWaalsContact O-CE2 3.27Å; G249-Y355 WeakPolarHBondContact O-CE2 3.44Å
250	K	96.6	Very high	95	Very high	63 Å²	63	50.9 Å²	50.9	27%	0.274	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.3	173.9	66.1	-171.4	176.5	-157.6	0	110.8	Y353 A354 Y355	K250-Y353 PolarHBondContact N-O 2.92Å; K250-Y353 PolarHBondContact O-N 3.45Å; K250-A354 VanDerWaalsContact CE-O 3.25Å; K250-A354 WeakPolarHBondContact CE-O 3.34Å; K250-Y355 HydrophobicContact CB-CD2 3.98Å; K250-Y355 HydrophobicContact CB-CE2 3.81Å; K250-Y355 HydrophobicContact CD-CD1 4.38Å; K250-Y355 HydrophobicContact CD-CD2 4.5Å; K250-Y355 HydrophobicContact CD-CG 4.37Å; K250-Y355 PolarHBondContact NZ-OXT 2.88Å
251	Q	94.5	Very high	95	Very high	121 Å²	121	46 Å²	46	57%	0.565	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.8	70.4	172.6	-58.1	175.8	-2.7	0	0	111.7	E194 F253 Y353	E194-Q251 PolarHBondContact OE1-N 3.09Å; Q251-F253 VanDerWaalsContact O-CD1 3.23Å; Q251-F253 WeakPolarHBondContact O-CD1 3.37Å; Q251-Y353 HydrophobicContact CB-CD2 4.17Å
252	P	94.4	Very high	95	Very high	18 Å²	18	42.3 Å²	42.3	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.8	172.4	30.9	-35.9	0	0	0	110.1	M81 F190 K191 E194 A351 A352	M81-P252 HydrophobicContact CE-CB 3.62Å; M81-P252 HydrophobicContact CE-CG 4.37Å; M81-P252 WeakPolarHBondContact CE-O 3.28Å; F190-P252 HydrophobicContact CB-CB 3.78Å; K191-P252 HydrophobicContact CG-CB 4.32Å; K191-P252 HydrophobicContact CG-CG 3.85Å; E194-P252 VanDerWaalsContact OE1-CD 3.3Å; E194-P252 WeakPolarHBondContact OE1-CD 3.13Å; E194-P252 WeakPolarHBondContact OE2-CD 3.23Å; P252-A351 WeakPolarHBondContact CA-O 3.42Å; P252-A352 HydrophobicContact CB-CB 4.19Å
253	F	93.7	Very high	94.9	Very high	11 Å²	11	43 Å²	43	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.3	-179.5	60.8	-93.1	0	0	0	111.9	M81 A84 Q251 L255 Q264 C350 A351 Y353	M81-F253 VanDerWaalsContact CE-CA 3.42Å; A84-F253 HydrophobicContact CB-CB 4.36Å; A84-F253 HydrophobicContact CB-CD2 4.15Å; A84-F253 HydrophobicContact CB-CG 4.44Å; Q251-F253 VanDerWaalsContact O-CD1 3.23Å; Q251-F253 WeakPolarHBondContact O-CD1 3.37Å; F253-L255 HydrophobicContact CD2-CD2 3.99Å; F253-L255 HydrophobicContact CD2-CG 4.27Å; F253-L255 HydrophobicContact CE2-CD1 4.44Å; F253-L255 HydrophobicContact CE2-CD2 3.91Å; F253-L255 HydrophobicContact CE2-CG 4.18Å; F253-Q264 HydrophobicContact CE2-CG 4.09Å; F253-Q264 HydrophobicContact CZ-CG 4.45Å; F253-C350 WeakPolarHBondContact O-CA 3.21Å; F253-C350 WeakPolarHBondContact O-CB 3.3Å; F253-A351 HydrophobicContact CE2-CB 4.31Å; F253-A351 HydrophobicContact CZ-CB 4.08Å; F253-A351 PolarHBondContact N-O 3.02Å; F253-A351 PolarHBondContact O-N 3.44Å; F253-A351 VanDerWaalsContact O-O 3.06Å; F253-Y353 HydrophobicContact CD1-CD2 4.34Å; F253-Y353 AromaticContact CD1-CE2 3.84Å; F253-Y353 HydrophobicContact CD1-CE2 3.84Å; F253-Y353 AromaticContact CE1-CD2 3.79Å; F253-Y353 HydrophobicContact CE1-CD2 3.79Å; F253-Y353 HydrophobicContact CE1-CE1 4.17Å; F253-Y353 AromaticContact CE1-CE2 3.32Å; F253-Y353 HydrophobicContact CE1-CE2 3.32Å; F253-Y353 HydrophobicContact CE1-CG 4.4Å; F253-Y353 AromaticContact CE1-CZ 3.53Å; F253-Y353 HydrophobicContact CZ-CE1 4.42Å; F253-Y353 HydrophobicContact CZ-CE2 4.22Å; F253-Y353 AromaticContact CZ-CZ 3.97Å
254	C	92.9	Very high	94.9	Very high	18 Å²	18	38.2 Å²	38.2	12%	0.122	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.8	168.1	-58.3	0	0	0	0	110.7	M81 A84 P349 C350	M81-C254 PolarHBondContact SD-SG 3.37Å; A84-C254 PolarHBondContact N-O 3.21Å; C254-P349 CarbonylContact C-O 3.15Å; C254-P349 WeakPolarHBondContact CA-O 3.45Å; C254-C350 HydrophobicContact CB-CB 4.12Å; C254-C350 WeakPolarHBondContact CB-SG 3.41Å; C254-C350 WeakPolarHBondContact SG-CB 3.37Å; C254-C350 CovalentContact SG-SG 2.04Å; C254-C350 PolarHBondContact SG-SG 3.25Å
255	L	91.3	Very high	94.9	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.047	16%	0.16	C	C	.	.			trans	-110.5	159.6	-174	-56.2	165.7	0	0	0	109.8	A84 F253 A260 I261 Q264 I271 P349	A84-L255 HydrophobicContact CB-CD2 4.07Å; F253-L255 HydrophobicContact CD2-CD2 3.99Å; F253-L255 HydrophobicContact CD2-CG 4.27Å; F253-L255 HydrophobicContact CE2-CD1 4.44Å; F253-L255 HydrophobicContact CE2-CD2 3.91Å; F253-L255 HydrophobicContact CE2-CG 4.18Å; L255-A260 HydrophobicContact CB-CB 4.2Å; L255-A260 HydrophobicContact CD2-CB 4.05Å; L255-I261 HydrophobicContact CB-CG1 4.1Å; L255-I261 HydrophobicContact CD1-CG1 4.05Å; L255-Q264 HydrophobicContact CD1-CB 3.8Å; L255-Q264 HydrophobicContact CD1-CG 3.66Å; L255-Q264 HydrophobicContact CD2-CG 3.68Å; L255-Q264 HydrophobicContact CG-CG 4.3Å; L255-I271 HydrophobicContact CD1-CD1 4.01Å; L255-P349 HydrophobicContact CB-CB 4.21Å; L255-P349 HydrophobicContact CB-CG 4.04Å; L255-P349 PolarHBondContact N-O 2.73Å; L255-P349 WeakPolarHBondContact O-CG 3.27Å
256	A	87.4	Confident	94.8	Very high	65 Å²	65	33.5 Å²	33.5	54%	0.537	17%	0.172	S	C	.	.			trans	-135.7	8	-174.2	0	0	0	0	0	113.7	L83	L83-A256 HydrophobicContact CD1-CB 4.35Å; L83-A256 HydrophobicContact CD2-CB 3.93Å; L83-A256 HydrophobicContact CG-CB 4.28Å
257	S	90.4	Very high	94.7	Very high	36 Å²	36	35.7 Å²	35.7	25%	0.252	19%	0.187	S	C	.	.	S	Bend	trans	-148.6	157.5	176.9	94.3	0	0	0	0	112.3	E259 A260 I261	S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 WeakPolarHBondContact CB-OE2 3.43Å; S257-E259 PolarHBondContact O-N 3.26Å; S257-E259 PolarHBondContact OG-N 3.11Å; S257-E259 PolarHBondContact OG-OE2 3.03Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 2.79Å; S257-A260 PolarHBondContact OG-N 2.77Å; S257-A260 VanDerWaalsContact OG-N 3.12Å; S257-I261 WeakPolarHBondContact O-CG1 3.48Å; S257-I261 PolarHBondContact O-N 3.03Å
258	V	93.7	Very high	94.7	Very high	23 Å²	23	38.2 Å²	38.2	14%	0.139	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-45.2	175.3	172.7	0	0	0	0	110.8	A260 I261 Q262 W317 R337 E345	V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.12Å; V258-I261 PolarHBondContact O-N 3.01Å; V258-Q262 HydrophobicContact CG1-CG 4.39Å; V258-Q262 WeakPolarHBondContact O-CG 3.19Å; V258-Q262 PolarHBondContact O-N 3.07Å; V258-W317 HydrophobicContact CB-CZ2 4.44Å; V258-W317 HydrophobicContact CG1-CH2 4.15Å; V258-W317 HydrophobicContact CG1-CZ2 3.89Å; V258-W317 HydrophobicContact CG2-CZ2 4.44Å; V258-R337 HydrophobicContact CG1-CG 4.13Å; V258-E345 HydrophobicContact CG2-CG 4.36Å
259	E	93.4	Very high	94.7	Very high	70 Å²	70	34.5 Å²	34.5	33%	0.327	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-38.8	179.8	-56.2	74.6	-164	0	0	111.2	V94 S257 Q262 N263	V94-E259 HydrophobicContact CG2-CB 3.89Å; V94-E259 HydrophobicContact CG2-CG 4.14Å; S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 WeakPolarHBondContact CB-OE2 3.43Å; S257-E259 PolarHBondContact O-N 3.26Å; S257-E259 PolarHBondContact OG-N 3.11Å; S257-E259 PolarHBondContact OG-OE2 3.03Å; E259-Q262 PolarHBondContact O-N 3.36Å; E259-N263 VanDerWaalsContact O-CB 3.27Å; E259-N263 WeakPolarHBondContact O-CB 3.49Å; E259-N263 VanDerWaalsContact O-CG 3.27Å; E259-N263 PolarHBondContact O-N 3.42Å; E259-N263 PolarHBondContact O-ND2 3.24Å
260	A	92.8	Very high	94.7	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176.4	0	0	0	0	0	111.2	N86 L255 S257 V258 N263 Q264	N86-A260 WeakPolarHBondContact ND2-CB 3.47Å; L255-A260 HydrophobicContact CB-CB 4.2Å; L255-A260 HydrophobicContact CD2-CB 4.05Å; S257-A260 WeakPolarHBondContact O-CB 3.22Å; S257-A260 PolarHBondContact O-N 2.79Å; S257-A260 PolarHBondContact OG-N 2.77Å; S257-A260 VanDerWaalsContact OG-N 3.12Å; V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.12Å; A260-N263 PolarHBondContact O-N 3.19Å; A260-Q264 WeakPolarHBondContact O-CB 3.31Å; A260-Q264 WeakPolarHBondContact O-CG 3.29Å; A260-Q264 PolarHBondContact O-N 2.98Å
261	I	95.6	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-50.7	175	-66.4	166.4	0	0	0	110.4	L255 S257 V258 N263 Q264 L265 I271 L305 W317 E345 P349	L255-I261 HydrophobicContact CB-CG1 4.1Å; L255-I261 HydrophobicContact CD1-CG1 4.05Å; S257-I261 WeakPolarHBondContact O-CG1 3.48Å; S257-I261 PolarHBondContact O-N 3.03Å; V258-I261 PolarHBondContact O-N 3.01Å; I261-N263 PolarHBondContact O-N 3.4Å; I261-Q264 PolarHBondContact O-N 2.99Å; I261-L265 HydrophobicContact CG2-CD1 3.95Å; I261-L265 HydrophobicContact CG2-CG 4.4Å; I261-L265 WeakPolarHBondContact O-CB 3.05Å; I261-L265 WeakPolarHBondContact O-CG 3.03Å; I261-L265 PolarHBondContact O-N 2.88Å; I261-I271 HydrophobicContact CB-CD1 4.41Å; I261-I271 HydrophobicContact CG1-CD1 4.15Å; I261-I271 HydrophobicContact CG2-CD1 3.74Å; I261-L305 HydrophobicContact CG2-CD2 3.56Å; I261-W317 HydrophobicContact CB-CH2 3.75Å; I261-W317 HydrophobicContact CB-CZ2 4.19Å; I261-W317 HydrophobicContact CD1-CZ2 4.4Å; I261-W317 HydrophobicContact CG2-CE3 4.42Å; I261-W317 HydrophobicContact CG2-CH2 3.3Å; I261-W317 HydrophobicContact CG2-CZ2 3.85Å; I261-W317 HydrophobicContact CG2-CZ3 3.65Å; I261-E345 HydrophobicContact CD1-CB 4.45Å; I261-P349 HydrophobicContact CD1-CB 3.8Å; I261-P349 HydrophobicContact CD1-CG 4.24Å; I261-P349 HydrophobicContact CG1-CB 3.93Å
262	Q	96.8	Very high	95	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-45.3	179	-68.7	-179.4	-66.4	0	0	111.7	V94 V258 E259 Q264 L265 K266 W308 W317	V94-Q262 HydrophobicContact CB-CB 3.99Å; V94-Q262 HydrophobicContact CG1-CB 3.8Å; V94-Q262 HydrophobicContact CG2-CB 4.08Å; V258-Q262 HydrophobicContact CG1-CG 4.39Å; V258-Q262 WeakPolarHBondContact O-CG 3.19Å; V258-Q262 PolarHBondContact O-N 3.07Å; E259-Q262 PolarHBondContact O-N 3.36Å; Q262-Q264 PolarHBondContact O-N 2.84Å; Q262-L265 PolarHBondContact O-N 3.25Å; Q262-K266 VanDerWaalsContact O-CB 3.24Å; Q262-K266 WeakPolarHBondContact O-CB 3Å; Q262-K266 PolarHBondContact O-N 2.67Å; Q262-W308 HydrophobicContact CB-CD2 4.39Å; Q262-W308 HydrophobicContact CB-CE3 4.22Å; Q262-W308 HydrophobicContact CB-CH2 4.1Å; Q262-W308 HydrophobicContact CB-CZ2 4.22Å; Q262-W308 HydrophobicContact CB-CZ3 4.09Å; Q262-W308 HydrophobicContact CG-CD2 3.91Å; Q262-W308 HydrophobicContact CG-CE3 4.05Å; Q262-W308 HydrophobicContact CG-CG 4.35Å; Q262-W308 HydrophobicContact CG-CZ2 4.47Å; Q262-W308 HydrophobicContact CG-CZ3 4.42Å; Q262-W308 VanDerWaalsContact NE2-CD1 3.28Å; Q262-W308 VanDerWaalsContact NE2-NE1 3.15Å; Q262-W308 WeakPolarHBondContact O-CH2 3.26Å; Q262-W308 WeakPolarHBondContact O-CZ3 3.1Å; Q262-W317 HydrophobicContact CG-CH2 3.53Å; Q262-W317 HydrophobicContact CG-CZ3 3.78Å
263	N	95.3	Very high	95.1	Very high	34 Å²	34	24.9 Å²	24.9	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-39.4	179.2	-77.4	-42.7	0	0	0	112.2	E259 A260 I261 K266 N267	E259-N263 VanDerWaalsContact O-CB 3.27Å; E259-N263 WeakPolarHBondContact O-CB 3.49Å; E259-N263 VanDerWaalsContact O-CG 3.27Å; E259-N263 PolarHBondContact O-N 3.42Å; E259-N263 PolarHBondContact O-ND2 3.24Å; A260-N263 PolarHBondContact O-N 3.19Å; I261-N263 PolarHBondContact O-N 3.4Å; N263-K266 PolarHBondContact O-N 2.6Å; N263-N267 WeakPolarHBondContact O-CB 3.48Å; N263-N267 PolarHBondContact O-N 2.71Å; N263-N267 PolarHBondContact O-ND2 3.31Å
264	Q	95.9	Very high	95.2	Very high	23 Å²	23	24.3 Å²	24.3	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-47.5	176	-79.4	-65.1	-30.4	0	0	112.2	F253 L255 A260 I261 Q262 K266 N267 H268 G269 I271 Y353	F253-Q264 HydrophobicContact CE2-CG 4.09Å; F253-Q264 HydrophobicContact CZ-CG 4.45Å; L255-Q264 HydrophobicContact CD1-CB 3.8Å; L255-Q264 HydrophobicContact CD1-CG 3.66Å; L255-Q264 HydrophobicContact CD2-CG 3.68Å; L255-Q264 HydrophobicContact CG-CG 4.3Å; A260-Q264 WeakPolarHBondContact O-CB 3.31Å; A260-Q264 WeakPolarHBondContact O-CG 3.29Å; A260-Q264 PolarHBondContact O-N 2.98Å; I261-Q264 PolarHBondContact O-N 2.99Å; Q262-Q264 PolarHBondContact O-N 2.84Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 3.41Å; Q264-N267 PolarHBondContact O-N 3.43Å; Q264-H268 WeakPolarHBondContact O-CA 3.46Å; Q264-H268 PolarHBondContact O-N 2.62Å; Q264-H268 PolarHBondContact OE1-CD2 2.67Å; Q264-G269 PolarHBondContact O-N 2.69Å; Q264-G269 VanDerWaalsContact O-N 3.16Å; Q264-I271 HydrophobicContact CB-CG2 4.38Å; Q264-Y353 PolarHBondContact NE2-OH 3.32Å
265	L	97.9	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-46.4	173.5	-73.8	174.5	0	0	0	111.2	F99 W105 I261 Q262 G269 I271 L305 W308 W317	F99-L265 HydrophobicContact CE1-CB 4.19Å; F99-L265 WeakPolarHBondContact CE1-O 3.5Å; F99-L265 VanDerWaalsContact CZ-O 3.25Å; F99-L265 WeakPolarHBondContact CZ-O 3.14Å; W105-L265 WeakPolarHBondContact CH2-O 3.27Å; I261-L265 HydrophobicContact CG2-CD1 3.95Å; I261-L265 HydrophobicContact CG2-CG 4.4Å; I261-L265 WeakPolarHBondContact O-CB 3.05Å; I261-L265 WeakPolarHBondContact O-CG 3.03Å; I261-L265 PolarHBondContact O-N 2.88Å; Q262-L265 PolarHBondContact O-N 3.25Å; L265-G269 WeakPolarHBondContact CA-O 3.45Å; L265-G269 WeakPolarHBondContact O-CA 3.06Å; L265-G269 PolarHBondContact O-N 2.8Å; L265-G269 VanDerWaalsContact O-N 3.16Å; L265-I271 HydrophobicContact CD2-CG1 4.22Å; L265-L305 HydrophobicContact CD1-CD2 3.92Å; L265-L305 HydrophobicContact CD1-CG 4.13Å; L265-L305 HydrophobicContact CD2-CB 4.37Å; L265-L305 WeakPolarHBondContact CD2-O 3.24Å; L265-W308 HydrophobicContact CB-CE3 4.26Å; L265-W308 HydrophobicContact CB-CZ3 3.7Å; L265-W308 HydrophobicContact CD1-CE3 3.93Å; L265-W308 HydrophobicContact CD1-CZ3 4.22Å; L265-W317 HydrophobicContact CD1-CE3 4.21Å; L265-W317 HydrophobicContact CD1-CZ3 3.79Å
266	K	96.7	Very high	95.6	Very high	62 Å²	62	27.1 Å²	27.1	27%	0.27	14%	0.143	S	C	.	.	H	α-helix	trans	-60.3	-50.3	-179.9	-167.7	177.9	164.6	-177	0	111.9	S95 F99 K104 W105 Q262 N263 Q264 W308	S95-K266 WeakPolarHBondContact O-CD 3.3Å; S95-K266 WeakPolarHBondContact O-CE 3.32Å; S95-K266 PolarHBondContact O-NZ 2.83Å; F99-K266 HydrophobicContact CD2-CG 4.4Å; F99-K266 HydrophobicContact CE2-CB 4.36Å; F99-K266 HydrophobicContact CE2-CG 4.15Å; K104-K266 WeakPolarHBondContact CE-O 3.36Å; K104-K266 PolarHBondContact NZ-O 3.37Å; W105-K266 VanDerWaalsContact CH2-O 3.25Å; W105-K266 WeakPolarHBondContact CH2-O 3.48Å; Q262-K266 VanDerWaalsContact O-CB 3.24Å; Q262-K266 WeakPolarHBondContact O-CB 3Å; Q262-K266 PolarHBondContact O-N 2.67Å; N263-K266 PolarHBondContact O-N 2.6Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 3.41Å; K266-W308 HydrophobicContact CB-CH2 3.94Å; K266-W308 HydrophobicContact CG-CH2 4.48Å
267	N	96.1	Very high	96	Very high	81 Å²	81	24 Å²	24	43%	0.433	12%	0.117	S	C	.	.	H	α-helix	trans	-94.1	-30.7	-164.5	-63.7	-28.9	0	0	0	112.8	N263 Q264	N263-N267 WeakPolarHBondContact O-CB 3.48Å; N263-N267 PolarHBondContact O-N 2.71Å; N263-N267 PolarHBondContact O-ND2 3.31Å; Q264-N267 PolarHBondContact O-N 3.43Å
268	H	97.2	Very high	96.3	Very high	74 Å²	74	24.2 Å²	24.2	34%	0.343	11%	0.113	S	C	.	.	H	α-helix	trans	-129.1	-3.6	-170.6	-56.7	-68.1	0	0	0	113.9	Q264 Y353	Q264-H268 WeakPolarHBondContact O-CA 3.46Å; Q264-H268 PolarHBondContact O-N 2.62Å; Q264-H268 PolarHBondContact OE1-CD2 2.67Å; H268-Y353 HydrophobicContact CB-CE1 4.31Å; H268-Y353 AromaticContact CD2-CE1 3.87Å; H268-Y353 AromaticContact CG-CE1 3.74Å; H268-Y353 AromaticContact ND1-CE1 3.87Å
269	G	98.3	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.			trans	91.4	-166.6	173.7	0	0	0	0	0	114.6	R135 Q264 L265	R135-G269 PolarHBondContact NH2-O 3.42Å; Q264-G269 PolarHBondContact O-N 2.69Å; Q264-G269 VanDerWaalsContact O-N 3.16Å; L265-G269 WeakPolarHBondContact CA-O 3.45Å; L265-G269 WeakPolarHBondContact O-CA 3.06Å; L265-G269 PolarHBondContact O-N 2.8Å; L265-G269 VanDerWaalsContact O-N 3.16Å
270	P	98.8	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.			trans	-50.8	152.8	-168.9	-31.5	38.7	0	0	0	115.1	A101 I111 V131 D134 R135 K304 L305 I306	A101-P270 HydrophobicContact CB-CG 4.26Å; I111-P270 HydrophobicContact CG2-CG 4.12Å; V131-P270 WeakPolarHBondContact CG1-O 3.46Å; V131-P270 HydrophobicContact CG2-CB 4.19Å; D134-P270 HydrophobicContact CB-CG 4.02Å; R135-P270 PolarHBondContact NE-O 2.87Å; R135-P270 PolarHBondContact NH2-O 3.46Å; P270-K304 HydrophobicContact CB-CD 3.9Å; P270-K304 HydrophobicContact CB-CG 3.83Å; P270-K304 HydrophobicContact CG-CD 4.49Å; P270-L305 WeakPolarHBondContact CA-O 3.5Å; P270-L305 WeakPolarHBondContact CB-O 3.19Å; P270-I306 HydrophobicContact CB-CG2 4.16Å; P270-I306 HydrophobicContact CG-CG2 3.97Å
271	I	98.3	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	164.5	173.3	67.1	166.4	0	0	0	110.4	V131 R135 L255 I261 Q264 L265 V273 L305 P349 A351	V131-I271 VanDerWaalsContact CG2-C 3.46Å; R135-I271 VanDerWaalsContact NH2-CG2 3.32Å; L255-I271 HydrophobicContact CD1-CD1 4.01Å; I261-I271 HydrophobicContact CB-CD1 4.41Å; I261-I271 HydrophobicContact CG1-CD1 4.15Å; I261-I271 HydrophobicContact CG2-CD1 3.74Å; Q264-I271 HydrophobicContact CB-CG2 4.38Å; L265-I271 HydrophobicContact CD2-CG1 4.22Å; I271-V273 HydrophobicContact CD1-CG1 3.93Å; I271-V273 HydrophobicContact CG1-CG1 4.25Å; I271-L305 HydrophobicContact CD1-CD2 4.24Å; I271-L305 HydrophobicContact CG1-CB 3.83Å; I271-L305 HydrophobicContact CG1-CD2 4.23Å; I271-L305 PolarHBondContact N-O 3.22Å; I271-L305 VanDerWaalsContact N-O 3.17Å; I271-L305 PolarHBondContact O-N 3.05Å; I271-P349 HydrophobicContact CD1-CB 3.95Å; I271-A351 HydrophobicContact CB-CB 4.31Å; I271-A351 HydrophobicContact CG2-CB 3.92Å
272	V	98	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.8	166.5	177.9	0	0	0	0	108.6	V131 P186 F190 A302 V303 M348 P349 C350	V131-V272 HydrophobicContact CB-CG2 4.2Å; V131-V272 HydrophobicContact CG2-CG2 3.69Å; P186-V272 HydrophobicContact CB-CG1 3.76Å; P186-V272 HydrophobicContact CG-CG1 4.17Å; F190-V272 HydrophobicContact CE2-CB 4.18Å; F190-V272 HydrophobicContact CE2-CG2 4.01Å; F190-V272 HydrophobicContact CZ-CB 4.36Å; F190-V272 HydrophobicContact CZ-CG2 3.78Å; V272-A302 HydrophobicContact CG1-CB 4.12Å; V272-V303 WeakPolarHBondContact CA-O 3.08Å; V272-M348 VanDerWaalsContact O-O 3.04Å; V272-P349 CarbonylContact O-C 3.43Å; V272-P349 VanDerWaalsContact O-CA 3.29Å; V272-P349 WeakPolarHBondContact O-CA 3.35Å; V272-C350 PolarHBondContact N-O 2.84Å; V272-C350 PolarHBondContact O-N 2.89Å
273	V	96.6	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.3	165.5	-64.1	0	0	0	0	108.4	I271 A302 V303 L305 I344 P349	I271-V273 HydrophobicContact CD1-CG1 3.93Å; I271-V273 HydrophobicContact CG1-CG1 4.25Å; V273-A302 WeakPolarHBondContact O-CA 3.44Å; V273-V303 HydrophobicContact CG2-CG2 3.49Å; V273-V303 VanDerWaalsContact CG2-CG2 3.49Å; V273-V303 PolarHBondContact N-O 2.9Å; V273-V303 VanDerWaalsContact N-O 3.1Å; V273-V303 PolarHBondContact O-N 3.42Å; V273-L305 HydrophobicContact CG1-CB 4.36Å; V273-L305 HydrophobicContact CG1-CD2 4Å; V273-L305 HydrophobicContact CG2-CB 4.29Å; V273-L305 HydrophobicContact CG2-CD1 4.19Å; V273-I344 HydrophobicContact CB-CG1 4.06Å; V273-I344 HydrophobicContact CG2-CD1 3.91Å; V273-I344 HydrophobicContact CG2-CG1 3.58Å; V273-P349 HydrophobicContact CG1-CB 3.93Å
274	A	95.8	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	158.7	165.9	0	0	0	0	0	110.7	V69 H301 I344 M347 M348	V69-A274 HydrophobicContact CG1-CB 4.02Å; V69-A274 HydrophobicContact CG2-CB 4.22Å; A274-H301 CarbonylContact C-O 3.45Å; A274-H301 WeakPolarHBondContact CA-O 3.38Å; A274-I344 WeakPolarHBondContact O-CA 3.4Å; A274-M347 HydrophobicContact CB-CB 4.02Å; A274-M347 PolarHBondContact N-O 3.37Å; A274-M348 HydrophobicContact CB-CE 4.06Å
275	L	96.1	Very high	97.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.2	170.6	65.5	151.6	0	0	0	111.1	V277 F281 H301 V303 F333 I335 C342 I344	L275-V277 PolarHBondContact O-N 3.04Å; L275-F281 HydrophobicContact CD1-CZ 4.44Å; L275-H301 PolarHBondContact N-O 3.14Å; L275-H301 PolarHBondContact O-N 3.18Å; L275-V303 HydrophobicContact CD2-CB 4.38Å; L275-V303 HydrophobicContact CD2-CG1 3.73Å; L275-V303 HydrophobicContact CD2-CG2 3.73Å; L275-F333 HydrophobicContact CD2-CZ 4.3Å; L275-I335 HydrophobicContact CD1-CD1 4.38Å; L275-C342 HydrophobicContact CB-CB 4.35Å; L275-I344 HydrophobicContact CB-CB 4.46Å
276	R	96	Very high	97.1	Very high	85 Å²	85	21.3 Å²	21.3	32%	0.321	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.3	164.5	-63.8	-177.4	-174.1	87.2	-2.1	108.8	Y278 F297 L300 C342 M347	R276-Y278 HydrophobicContact CB-CD2 4.33Å; R276-Y278 HydrophobicContact CB-CE2 3.63Å; R276-F297 HydrophobicContact CB-CD2 4.13Å; R276-F297 HydrophobicContact CB-CE2 3.79Å; R276-F297 HydrophobicContact CG-CE2 3.91Å; R276-L300 HydrophobicContact CB-CD2 4.44Å; R276-L300 HydrophobicContact CG-CD2 3.77Å; R276-C342 HydrophobicContact CB-CB 4.41Å; R276-C342 WeakPolarHBondContact CB-O 3.47Å; R276-C342 PolarHBondContact N-O 3.42Å; R276-C342 WeakPolarHBondContact O-CB 3.04Å; R276-M347 HydrophobicContact CG-CE 4.31Å; R276-M347 HydrophobicContact CG-SD 3.83Å
277	V	97.1	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.3	172.9	-178.1	0	0	0	0	108.7	T66 L275 F281 L298 G299 H301 W323	T66-V277 HydrophobicContact CG2-CB 4.13Å; T66-V277 HydrophobicContact CG2-CG1 3.72Å; T66-V277 HydrophobicContact CG2-CG2 4.36Å; L275-V277 PolarHBondContact O-N 3.04Å; V277-F281 HydrophobicContact CG1-CB 4.29Å; V277-F281 HydrophobicContact CG1-CD1 4.07Å; V277-L298 HydrophobicContact CG1-CB 4.35Å; V277-L298 HydrophobicContact CG1-CD1 4.27Å; V277-L298 PolarHBondContact O-N 3.1Å; V277-G299 PolarHBondContact N-O 2.76Å; V277-G299 PolarHBondContact O-N 2.8Å; V277-H301 HydrophobicContact CG2-CB 3.38Å; V277-W323 HydrophobicContact CG1-CH2 4.34Å; V277-W323 HydrophobicContact CG2-CH2 4.41Å
278	Y	96.3	Very high	97.1	Very high	40 Å²	40	15.4 Å²	15.4	16%	0.157	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	160.8	171.4	-65.6	-95.9	0	0	0	109.8	R276 D280 F281 R291 S295 R296 F297	R276-Y278 HydrophobicContact CB-CD2 4.33Å; R276-Y278 HydrophobicContact CB-CE2 3.63Å; Y278-D280 VanDerWaalsContact CB-OD1 3.25Å; Y278-D280 WeakPolarHBondContact CB-OD1 3.48Å; Y278-D280 PolarHBondContact O-N 3.39Å; Y278-F281 WeakPolarHBondContact O-CB 3.38Å; Y278-F281 PolarHBondContact O-N 3.08Å; Y278-F281 VanDerWaalsContact O-N 3.08Å; Y278-R291 HydrophobicContact CD1-CG 4.33Å; Y278-R291 HydrophobicContact CD2-CG 3.9Å; Y278-R291 HydrophobicContact CE2-CG 4.34Å; Y278-R291 VanDerWaalsContact CG-CD 3.42Å; Y278-R291 HydrophobicContact CG-CG 3.89Å; Y278-R291 VanDerWaalsContact CZ-CD 3.42Å; Y278-S295 WeakPolarHBondContact CB-OG 3.34Å; Y278-S295 WeakPolarHBondContact CD1-OG 3.35Å; Y278-R296 CarbonylContact C-O 3.52Å; Y278-R296 VanDerWaalsContact CA-O 3.27Å; Y278-R296 WeakPolarHBondContact CA-O 3.35Å; Y278-F297 HydrophobicContact CD1-CB 4.16Å; Y278-F297 HydrophobicContact CE1-CB 3.98Å; Y278-F297 HydrophobicContact CE1-CD2 4.36Å
279	D	95.5	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.3	-173.1	66.6	-2.2	0	0	0	115.1	R24 I282 Y283 S295 R296 L298	R24-D279 IonicContact CZ-OD2 3.15Å; R24-D279 IonicContact NE-OD1 2.75Å; R24-D279 IonicContact NE-OD2 2.73Å; R24-D279 PolarHBondContact NE-OD2 3.06Å; R24-D279 IonicContact NH2-OD1 3.97Å; R24-D279 PolarHBondContact NH2-OD1 3.3Å; R24-D279 IonicContact NH2-OD2 2.8Å; R24-D279 PolarHBondContact NH2-OD2 2.86Å; D279-I282 VanDerWaalsContact O-CG1 3.29Å; D279-I282 WeakPolarHBondContact O-CG1 3.34Å; D279-Y283 VanDerWaalsContact O-CD2 3.25Å; D279-Y283 WeakPolarHBondContact O-CD2 3.32Å; D279-Y283 WeakPolarHBondContact O-CE2 3.4Å; D279-S295 WeakPolarHBondContact OD1-CA 3.36Å; D279-R296 VanDerWaalsContact CG-N 3.32Å; D279-R296 PolarHBondContact N-O 3.06Å; D279-R296 PolarHBondContact OD1-N 3.05Å; D279-R296 WeakPolarHBondContact OD2-CB 3.28Å; D279-L298 HydrophobicContact CB-CD1 3.9Å; D279-L298 HydrophobicContact CB-CD2 4.05Å; D279-L298 HydrophobicContact CB-CG 3.93Å
280	D	96.4	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-29.3	167.5	59.4	-19.2	0	0	0	112.6	L28 W46 Y278 I282 Y283 Y289 T292 S295	L28-D280 HydrophobicContact CD1-CB 4.1Å; W46-D280 HydrophobicContact CH2-CB 4.14Å; W46-D280 WeakPolarHBondContact CH2-O 3.07Å; W46-D280 HydrophobicContact CZ2-CB 4.37Å; Y278-D280 VanDerWaalsContact CB-OD1 3.25Å; Y278-D280 WeakPolarHBondContact CB-OD1 3.48Å; Y278-D280 PolarHBondContact O-N 3.39Å; D280-I282 VanDerWaalsContact C-N 3.26Å; D280-I282 PolarHBondContact O-N 2.82Å; D280-Y283 WeakPolarHBondContact O-CB 3.43Å; D280-Y283 PolarHBondContact O-N 3.13Å; D280-Y289 PolarHBondContact OD1-OH 2.83Å; D280-Y289 VanDerWaalsContact OD1-OH 3.08Å; D280-T292 WeakPolarHBondContact OD2-CB 3.39Å; D280-T292 WeakPolarHBondContact OD2-CG2 3.31Å; D280-T292 PolarHBondContact OD2-N 3.29Å; D280-T292 PolarHBondContact OD2-OG1 3.33Å; D280-S295 VanDerWaalsContact OD1-CB 3.26Å; D280-S295 WeakPolarHBondContact OD1-CB 3.4Å
281	F	97.7	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-61.8	-31	-179.4	-172.8	-113.9	0	0	0	113.6	L275 V277 Y278 Y283 Y284 Y289 W323 F327 F333	L275-F281 HydrophobicContact CD1-CZ 4.44Å; V277-F281 HydrophobicContact CG1-CB 4.29Å; V277-F281 HydrophobicContact CG1-CD1 4.07Å; Y278-F281 WeakPolarHBondContact O-CB 3.38Å; Y278-F281 PolarHBondContact O-N 3.08Å; Y278-F281 VanDerWaalsContact O-N 3.08Å; F281-Y283 PolarHBondContact O-N 2.83Å; F281-Y283 VanDerWaalsContact O-N 3.14Å; F281-Y284 VanDerWaalsContact O-CB 3.24Å; F281-Y284 WeakPolarHBondContact O-CB 3.25Å; F281-Y284 PolarHBondContact O-N 2.04Å; F281-Y289 HydrophobicContact CB-CE1 4.45Å; F281-Y289 HydrophobicContact CB-CE2 3.98Å; F281-Y289 AromaticContact CD2-CD1 3.63Å; F281-Y289 HydrophobicContact CD2-CD1 3.63Å; F281-Y289 AromaticContact CD2-CD2 3.74Å; F281-Y289 HydrophobicContact CD2-CD2 3.74Å; F281-Y289 AromaticContact CD2-CE1 3.6Å; F281-Y289 HydrophobicContact CD2-CE1 3.6Å; F281-Y289 AromaticContact CD2-CE2 3.71Å; F281-Y289 HydrophobicContact CD2-CE2 3.71Å; F281-Y289 AromaticContact CD2-CG 3.7Å; F281-Y289 HydrophobicContact CD2-CG 3.7Å; F281-Y289 AromaticContact CD2-CZ 3.64Å; F281-Y289 AromaticContact CE2-CD1 3.91Å; F281-Y289 HydrophobicContact CE2-CD1 3.91Å; F281-Y289 HydrophobicContact CE2-CD2 4.44Å; F281-Y289 HydrophobicContact CE2-CE1 4.25Å; F281-Y289 HydrophobicContact CE2-CG 4.02Å; F281-Y289 HydrophobicContact CG-CE1 4.34Å; F281-Y289 HydrophobicContact CG-CE2 4.35Å; F281-W323 AromaticContact CD1-CH2 3.99Å; F281-W323 HydrophobicContact CD1-CH2 3.99Å; F281-W323 AromaticContact CD1-CZ3 3.87Å; F281-W323 HydrophobicContact CD1-CZ3 3.87Å; F281-W323 AromaticContact CE1-CH2 3.96Å; F281-W323 HydrophobicContact CE1-CH2 3.96Å; F281-W323 AromaticContact CE1-CZ3 3.72Å; F281-W323 HydrophobicContact CE1-CZ3 3.72Å; F281-F327 HydrophobicContact CD1-CZ 4.29Å; F281-F327 HydrophobicContact CE1-CE1 4.37Å; F281-F327 AromaticContact CE1-CZ 3.79Å; F281-F327 HydrophobicContact CE1-CZ 3.79Å; F281-F327 HydrophobicContact CE2-CZ 4.42Å; F281-F327 HydrophobicContact CZ-CE1 4.2Å; F281-F327 AromaticContact CZ-CZ 3.87Å; F281-F327 HydrophobicContact CZ-CZ 3.87Å; F281-F333 AromaticContact CE2-CD2 3.8Å; F281-F333 HydrophobicContact CE2-CD2 3.8Å; F281-F333 HydrophobicContact CE2-CE2 4.11Å; F281-F333 HydrophobicContact CE2-CG 4.12Å; F281-F333 HydrophobicContact CZ-CB 4.47Å; F281-F333 AromaticContact CZ-CD1 3.98Å; F281-F333 HydrophobicContact CZ-CD1 3.98Å; F281-F333 AromaticContact CZ-CD2 3.76Å; F281-F333 HydrophobicContact CZ-CD2 3.76Å; F281-F333 HydrophobicContact CZ-CE1 4.07Å; F281-F333 AromaticContact CZ-CE2 3.85Å; F281-F333 HydrophobicContact CZ-CE2 3.85Å; F281-F333 AromaticContact CZ-CG 3.82Å; F281-F333 HydrophobicContact CZ-CG 3.82Å; F281-F333 AromaticContact CZ-CZ 3.98Å; F281-F333 HydrophobicContact CZ-CZ 3.98Å
282	I	96.4	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-67.1	-11.5	176.9	66.8	175.6	0	0	0	112.9	Y21 F54 I62 D279 D280 L298	Y21-I282 HydrophobicContact CD2-CD1 3.79Å; Y21-I282 HydrophobicContact CD2-CG1 4.44Å; Y21-I282 HydrophobicContact CE2-CB 4.4Å; Y21-I282 HydrophobicContact CE2-CD1 3.81Å; Y21-I282 HydrophobicContact CE2-CG1 3.95Å; Y21-I282 PolarHBondContact OH-O 2.84Å; F54-I282 HydrophobicContact CD2-CB 3.69Å; F54-I282 HydrophobicContact CD2-CG2 4.27Å; F54-I282 WeakPolarHBondContact CD2-O 3.22Å; F54-I282 HydrophobicContact CE1-CG2 4.23Å; F54-I282 HydrophobicContact CE2-CB 3.65Å; F54-I282 HydrophobicContact CE2-CG2 3.82Å; F54-I282 HydrophobicContact CG-CB 4.21Å; F54-I282 HydrophobicContact CZ-CB 4.14Å; F54-I282 HydrophobicContact CZ-CG2 3.79Å; I62-I282 HydrophobicContact CD1-CD1 3.8Å; I62-I282 HydrophobicContact CG2-CD1 4.28Å; I62-I282 HydrophobicContact CG2-CG2 4.02Å; D279-I282 VanDerWaalsContact O-CG1 3.29Å; D279-I282 WeakPolarHBondContact O-CG1 3.34Å; D280-I282 VanDerWaalsContact C-N 3.26Å; D280-I282 PolarHBondContact O-N 2.82Å; I282-L298 HydrophobicContact CG2-CD1 4.08Å
283	Y	97.5	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-105.8	12.6	174.5	-53.5	-74.1	0	0	0	112.7	Y21 R24 Y25 L28 F48 G49 D279 D280 F281 K285	Y21-Y283 HydrophobicContact CD1-CE1 4.24Å; Y21-Y283 HydrophobicContact CD2-CD1 4.44Å; Y21-Y283 AromaticContact CD2-CE1 3.52Å; Y21-Y283 HydrophobicContact CD2-CE1 3.52Å; Y21-Y283 AromaticContact CD2-CZ 3.78Å; Y21-Y283 HydrophobicContact CE1-CD1 4.29Å; Y21-Y283 AromaticContact CE1-CE1 3.85Å; Y21-Y283 HydrophobicContact CE1-CE1 3.85Å; Y21-Y283 AromaticContact CE2-CD1 3.55Å; Y21-Y283 HydrophobicContact CE2-CD1 3.55Å; Y21-Y283 AromaticContact CE2-CE1 3.04Å; Y21-Y283 HydrophobicContact CE2-CE1 3.04Å; Y21-Y283 HydrophobicContact CE2-CG 4.47Å; Y21-Y283 AromaticContact CE2-CZ 3.64Å; Y21-Y283 HydrophobicContact CG-CE1 4.09Å; Y21-Y283 AromaticContact CZ-CD1 3.45Å; Y21-Y283 VanDerWaalsContact CZ-CD1 3.45Å; Y21-Y283 AromaticContact CZ-CE1 3.22Å; Y21-Y283 PolarHBondContact O-OH 3.44Å; Y21-Y283 WeakPolarHBondContact OH-CD1 3.32Å; R24-Y283 WeakPolarHBondContact CB-OH 3.31Å; R24-Y283 HydrophobicContact CG-CE2 4.43Å; Y25-Y283 AromaticContact CD2-CD1 3.6Å; Y25-Y283 HydrophobicContact CD2-CD1 3.6Å; Y25-Y283 AromaticContact CD2-CE1 3.91Å; Y25-Y283 HydrophobicContact CD2-CE1 3.91Å; Y25-Y283 HydrophobicContact CD2-CG 4.2Å; Y25-Y283 HydrophobicContact CG-CD1 4.36Å; Y25-Y283 HydrophobicContact CG-CE1 4.21Å; Y25-Y283 PolarHBondContact N-OH 3.16Å; L28-Y283 HydrophobicContact CD1-CD2 3.89Å; L28-Y283 HydrophobicContact CD1-CE2 3.69Å; F48-Y283 HydrophobicContact CD2-CG 4.33Å; F48-Y283 AromaticContact CE2-CD2 3.5Å; F48-Y283 HydrophobicContact CE2-CD2 3.5Å; F48-Y283 HydrophobicContact CE2-CE2 4.48Å; F48-Y283 AromaticContact CE2-CG 3.55Å; F48-Y283 HydrophobicContact CE2-CG 3.55Å; F48-Y283 HydrophobicContact CZ-CD1 4.49Å; F48-Y283 AromaticContact CZ-CD2 3.9Å; F48-Y283 HydrophobicContact CZ-CD2 3.9Å; F48-Y283 AromaticContact CZ-CG 3.86Å; F48-Y283 HydrophobicContact CZ-CG 3.86Å; G49-Y283 PolarHBondContact N-O 2.95Å; G49-Y283 CarbonylContact O-C 3.57Å; G49-Y283 VanDerWaalsContact O-C 3.31Å; G49-Y283 WeakPolarHBondContact O-CA 3.04Å; G49-Y283 WeakPolarHBondContact O-CB 3.43Å; D279-Y283 VanDerWaalsContact O-CD2 3.25Å; D279-Y283 WeakPolarHBondContact O-CD2 3.32Å; D279-Y283 WeakPolarHBondContact O-CE2 3.4Å; D280-Y283 WeakPolarHBondContact O-CB 3.43Å; D280-Y283 PolarHBondContact O-N 3.13Å; F281-Y283 PolarHBondContact O-N 2.83Å; F281-Y283 VanDerWaalsContact O-N 3.14Å; Y283-K285 PolarHBondContact O-N 2.87Å
284	Y	98.1	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.8	174.2	174.3	-92.6	0	0	0	111	W46 F281 G287 Y289 F327 G328 E329 F333 R334	W46-Y284 HydrophobicContact CB-CD2 4.26Å; W46-Y284 HydrophobicContact CB-CE2 4.14Å; W46-Y284 HydrophobicContact CD2-CD2 4.4Å; W46-Y284 AromaticContact CE3-CD2 3.92Å; W46-Y284 HydrophobicContact CE3-CD2 3.92Å; F281-Y284 VanDerWaalsContact O-CB 3.24Å; F281-Y284 WeakPolarHBondContact O-CB 3.25Å; F281-Y284 PolarHBondContact O-N 2.04Å; Y284-G287 WeakPolarHBondContact CE2-O 3.42Å; Y284-G287 PolarHBondContact OH-N 3.39Å; Y284-G287 PolarHBondContact OH-O 3.46Å; Y284-Y289 HydrophobicContact CD2-CD2 4.33Å; Y284-Y289 HydrophobicContact CD2-CG 4.43Å; Y284-F327 HydrophobicContact CD1-CE1 4.28Å; Y284-F327 HydrophobicContact CD1-CZ 4.24Å; Y284-G328 WeakPolarHBondContact O-CA 2.92Å; Y284-E329 HydrophobicContact CE1-CG 4.08Å; Y284-E329 VanDerWaalsContact OH-CD 3.29Å; Y284-E329 PolarHBondContact OH-OE2 2.94Å; Y284-F333 HydrophobicContact CD1-CB 3.82Å; Y284-F333 HydrophobicContact CE1-CB 3.33Å; Y284-R334 PolarHBondContact OH-N 2.99Å
285	K	97.8	Very high	95.3	Very high	76 Å²	76	31.8 Å²	31.8	33%	0.33	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-49.4	172.5	-61.2	-62.3	-66.8	-170.1	0	112.6	Q47 K50 Y283 G328 E329	Q47-K285 HydrophobicContact CB-CB 4.19Å; Q47-K285 WeakPolarHBondContact O-CB 3.4Å; Q47-K285 PolarHBondContact O-N 3.25Å; K50-K285 WeakPolarHBondContact O-CD 3.23Å; K50-K285 PolarHBondContact O-NZ 2.87Å; Y283-K285 PolarHBondContact O-N 2.87Å; K285-G328 CarbonylContact O-C 3.51Å; K285-G328 WeakPolarHBondContact O-CA 3.05Å; K285-E329 PolarHBondContact O-N 3.46Å
286	S	97.4	Very high	95.2	Very high	29 Å²	29	37.6 Å²	37.6	20%	0.203	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	171.1	-176.1	59.6	0	0	0	0	112	W46 Q47 E329	W46-S286 CarbonylContact C-O 3.4Å; W46-S286 VanDerWaalsContact CA-O 3.25Å; W46-S286 WeakPolarHBondContact CA-O 3.36Å; W46-S286 VanDerWaalsContact CB-O 3.31Å; W46-S286 WeakPolarHBondContact CB-O 3.32Å; Q47-S286 PolarHBondContact N-O 2.9Å; Q47-S286 PolarHBondContact OE1-OG 3.41Å; S286-E329 VanDerWaalsContact CA-OE1 3.31Å; S286-E329 WeakPolarHBondContact CA-OE1 3.15Å; S286-E329 VanDerWaalsContact CB-OE1 3.29Å; S286-E329 WeakPolarHBondContact CB-OE1 3.23Å
287	G	96.5	Very high	95.1	Very high	14 Å²	14	38.8 Å²	38.8	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-162.1	178.9	0	0	0	0	0	112.1	T45 Y284 E329 R334	T45-G287 CarbonylContact O-C 3.43Å; Y284-G287 WeakPolarHBondContact CE2-O 3.42Å; Y284-G287 PolarHBondContact OH-N 3.39Å; Y284-G287 PolarHBondContact OH-O 3.46Å; G287-E329 PolarHBondContact N-OE1 2.61Å; G287-R334 WeakPolarHBondContact O-CB 3.41Å
288	I	97.4	Very high	95	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	103	-177.4	-57.3	171.3	0	0	0	108.3	T45 Q290 M314 Y316 R334 V336	T45-I288 CarbonylContact C-O 3.47Å; T45-I288 WeakPolarHBondContact CB-O 3.49Å; T45-I288 PolarHBondContact O-N 3.21Å; T45-I288 PolarHBondContact OG1-O 3.47Å; I288-Q290 PolarHBondContact O-N 3.21Å; I288-M314 HydrophobicContact CD1-CB 3.66Å; I288-M314 WeakPolarHBondContact CD1-O 3.39Å; I288-Y316 HydrophobicContact CD1-CD1 3.65Å; I288-Y316 HydrophobicContact CD1-CG 4.22Å; I288-Y316 HydrophobicContact CG1-CD1 4Å; I288-Y316 HydrophobicContact CG1-CG 4.19Å; I288-R334 HydrophobicContact CG1-CB 4.5Å; I288-V336 HydrophobicContact CG2-CB 4.41Å; I288-V336 HydrophobicContact CG2-CG2 3.66Å
289	Y	97.6	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.5	179.4	174.2	-106.8	0	0	0	111.2	W46 D280 F281 Y284 R334 I335 V336	W46-Y289 HydrophobicContact CD2-CD2 4.1Å; W46-Y289 AromaticContact CE2-CD2 3.85Å; W46-Y289 HydrophobicContact CE3-CD2 4.45Å; W46-Y289 HydrophobicContact CH2-CD2 4.33Å; W46-Y289 HydrophobicContact CH2-CE2 4.29Å; W46-Y289 AromaticContact CZ2-CD2 3.98Å; W46-Y289 HydrophobicContact CZ2-CD2 3.98Å; W46-Y289 AromaticContact CZ2-CE2 3.95Å; W46-Y289 HydrophobicContact CZ2-CE2 3.95Å; D280-Y289 PolarHBondContact OD1-OH 2.83Å; D280-Y289 VanDerWaalsContact OD1-OH 3.08Å; F281-Y289 HydrophobicContact CB-CE1 4.45Å; F281-Y289 HydrophobicContact CB-CE2 3.98Å; F281-Y289 AromaticContact CD2-CD1 3.63Å; F281-Y289 HydrophobicContact CD2-CD1 3.63Å; F281-Y289 AromaticContact CD2-CD2 3.74Å; F281-Y289 HydrophobicContact CD2-CD2 3.74Å; F281-Y289 AromaticContact CD2-CE1 3.6Å; F281-Y289 HydrophobicContact CD2-CE1 3.6Å; F281-Y289 AromaticContact CD2-CE2 3.71Å; F281-Y289 HydrophobicContact CD2-CE2 3.71Å; F281-Y289 AromaticContact CD2-CG 3.7Å; F281-Y289 HydrophobicContact CD2-CG 3.7Å; F281-Y289 AromaticContact CD2-CZ 3.64Å; F281-Y289 AromaticContact CE2-CD1 3.91Å; F281-Y289 HydrophobicContact CE2-CD1 3.91Å; F281-Y289 HydrophobicContact CE2-CD2 4.44Å; F281-Y289 HydrophobicContact CE2-CE1 4.25Å; F281-Y289 HydrophobicContact CE2-CG 4.02Å; F281-Y289 HydrophobicContact CG-CE1 4.34Å; F281-Y289 HydrophobicContact CG-CE2 4.35Å; Y284-Y289 HydrophobicContact CD2-CD2 4.33Å; Y284-Y289 HydrophobicContact CD2-CG 4.43Å; Y289-R334 VanDerWaalsContact CB-O 3.3Å; Y289-R334 WeakPolarHBondContact CB-O 3.35Å; Y289-R334 PolarHBondContact N-O 3.16Å; Y289-I335 HydrophobicContact CD1-CB 4.43Å; Y289-I335 HydrophobicContact CD1-CD1 3.79Å; Y289-I335 HydrophobicContact CD1-CG1 3.87Å; Y289-I335 HydrophobicContact CE1-CD1 4.21Å; Y289-I335 WeakPolarHBondContact O-CA 3.38Å; Y289-V336 PolarHBondContact O-N 3.08Å; Y289-V336 VanDerWaalsContact O-N 3.14Å
290	Q	94.8	Very high	94.7	Very high	60 Å²	60	39.3 Å²	39.3	28%	0.28	18%	0.179	S	C	.	.			trans	-139.4	133.1	167.4	-179.7	172.4	59.1	0	0	107	W46 I288 T292 V336	W46-Q290 PolarHBondContact NE1-O 3.5Å; I288-Q290 PolarHBondContact O-N 3.21Å; Q290-T292 PolarHBondContact O-N 3.01Å; Q290-V336 HydrophobicContact CB-CG2 3.94Å; Q290-V336 HydrophobicContact CG-CG2 4.45Å
291	R	94.6	Very high	94.7	Very high	83 Å²	83	39.3 Å²	39.3	31%	0.313	18%	0.179	S	C	.	.			trans	-61.5	131.2	-177.5	-173.4	-169.2	77.7	92.3	-10.8	111.7	Y278 R293 S295 E341	Y278-R291 HydrophobicContact CD1-CG 4.33Å; Y278-R291 HydrophobicContact CD2-CG 3.9Å; Y278-R291 HydrophobicContact CE2-CG 4.34Å; Y278-R291 VanDerWaalsContact CG-CD 3.42Å; Y278-R291 HydrophobicContact CG-CG 3.89Å; Y278-R291 VanDerWaalsContact CZ-CD 3.42Å; R291-R293 PolarHBondContact NH1-O 3.48Å; R291-S295 VanDerWaalsContact CD-OG 3.29Å; R291-S295 WeakPolarHBondContact CD-OG 3.36Å; R291-S295 WeakPolarHBondContact CG-OG 3.42Å; R291-S295 PolarHBondContact NH1-OG 3.26Å; R291-E341 WeakPolarHBondContact CB-OE1 3.29Å; R291-E341 PolarHBondContact N-OE1 3.17Å
292	T	91.8	Very high	94.7	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	18%	0.179	C	C	.	.			trans	-71.2	144.4	169.8	60.9	0	0	0	0	110.9	I32 W46 D280 Q290 S294 S295	I32-T292 HydrophobicContact CD1-CG2 4.1Å; I32-T292 HydrophobicContact CG1-CG2 4.01Å; W46-T292 HydrophobicContact CZ2-CG2 4.06Å; D280-T292 WeakPolarHBondContact OD2-CB 3.39Å; D280-T292 WeakPolarHBondContact OD2-CG2 3.31Å; D280-T292 PolarHBondContact OD2-N 3.29Å; D280-T292 PolarHBondContact OD2-OG1 3.33Å; Q290-T292 PolarHBondContact O-N 3.01Å; T292-S294 PolarHBondContact O-N 3.37Å; T292-S294 VanDerWaalsContact O-N 3.17Å; T292-S295 WeakPolarHBondContact O-CB 3.17Å; T292-S295 PolarHBondContact O-N 3.45Å; T292-S295 VanDerWaalsContact O-N 3.16Å; T292-S295 PolarHBondContact O-OG 3.01Å
293	R	86.2	Confident	94.8	Very high	218 Å²	218	39.4 Å²	39.4	82%	0.823	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.2	-175.5	-70.5	-177.9	176.6	176.8	-0.9	113.4	R291 S295	R291-R293 PolarHBondContact NH1-O 3.48Å; R293-S295 VanDerWaalsContact C-N 3.33Å
294	S	86.6	Confident	94.8	Very high	37 Å²	37	39.5 Å²	39.5	26%	0.259	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.4	-177	52.2	0	0	0	0	114.5	R24 V31 T292	R24-S294 PolarHBondContact NH2-O 3.09Å; V31-S294 WeakPolarHBondContact CG1-OG 3.44Å; T292-S294 PolarHBondContact O-N 3.37Å; T292-S294 VanDerWaalsContact O-N 3.17Å
295	S	93.2	Very high	94.9	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.5	142.2	-179.8	75.3	0	0	0	0	111.5	Y278 D279 D280 R291 T292 R293	Y278-S295 WeakPolarHBondContact CB-OG 3.34Å; Y278-S295 WeakPolarHBondContact CD1-OG 3.35Å; D279-S295 WeakPolarHBondContact OD1-CA 3.36Å; D280-S295 VanDerWaalsContact OD1-CB 3.26Å; D280-S295 WeakPolarHBondContact OD1-CB 3.4Å; R291-S295 VanDerWaalsContact CD-OG 3.29Å; R291-S295 WeakPolarHBondContact CD-OG 3.36Å; R291-S295 WeakPolarHBondContact CG-OG 3.42Å; R291-S295 PolarHBondContact NH1-OG 3.26Å; T292-S295 WeakPolarHBondContact O-CB 3.17Å; T292-S295 PolarHBondContact O-N 3.45Å; T292-S295 VanDerWaalsContact O-N 3.16Å; T292-S295 PolarHBondContact O-OG 3.01Å; R293-S295 VanDerWaalsContact C-N 3.33Å
296	R	94.7	Very high	94.9	Very high	121 Å²	121	36 Å²	36	46%	0.457	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-101.8	140.6	177.6	-56.1	173.5	-176.9	149.9	8.9	110.2	E27 Y278 D279	E27-R296 IonicContact OE1-CZ 3.82Å; E27-R296 IonicContact OE1-NH2 2.88Å; E27-R296 PolarHBondContact OE1-NH2 3.49Å; E27-R296 IonicContact OE2-NH1 3.67Å; E27-R296 IonicContact OE2-NH2 3.91Å; Y278-R296 CarbonylContact C-O 3.52Å; Y278-R296 VanDerWaalsContact CA-O 3.27Å; Y278-R296 WeakPolarHBondContact CA-O 3.35Å; D279-R296 VanDerWaalsContact CG-N 3.32Å; D279-R296 PolarHBondContact N-O 3.06Å; D279-R296 PolarHBondContact OD1-N 3.05Å; D279-R296 WeakPolarHBondContact OD2-CB 3.28Å
297	F	94.4	Very high	95	Very high	111 Å²	111	34.6 Å²	34.6	49%	0.487	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134	178	178.2	-107	0	0	0	111.2	R276 Y278 G299 L300	R276-F297 HydrophobicContact CB-CD2 4.13Å; R276-F297 HydrophobicContact CB-CE2 3.79Å; R276-F297 HydrophobicContact CG-CE2 3.91Å; Y278-F297 HydrophobicContact CD1-CB 4.16Å; Y278-F297 HydrophobicContact CE1-CB 3.98Å; Y278-F297 HydrophobicContact CE1-CD2 4.36Å; F297-G299 WeakPolarHBondContact CE2-O 3.46Å; F297-G299 VanDerWaalsContact CZ-C 3.46Å; F297-G299 WeakPolarHBondContact CZ-O 3.07Å; F297-L300 HydrophobicContact CE2-CD2 3.99Å; F297-L300 HydrophobicContact CZ-CD2 3.9Å; F297-L300 HydrophobicContact CZ-CG 4.2Å
298	L	93.2	Very high	95.1	Very high	16 Å²	16	34 Å²	34	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-34.2	178.1	-68.3	-177.4	0	0	0	113.1	I62 T66 V277 D279 I282	I62-L298 HydrophobicContact CG2-CD1 3.82Å; T66-L298 HydrophobicContact CG2-CB 4.49Å; T66-L298 PolarHBondContact OG1-O 2.7Å; V277-L298 HydrophobicContact CG1-CB 4.35Å; V277-L298 HydrophobicContact CG1-CD1 4.27Å; V277-L298 PolarHBondContact O-N 3.1Å; D279-L298 HydrophobicContact CB-CD1 3.9Å; D279-L298 HydrophobicContact CB-CD2 4.05Å; D279-L298 HydrophobicContact CB-CG 3.93Å; I282-L298 HydrophobicContact CG2-CD1 4.08Å
299	G	92.7	Very high	95	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-162.4	-179.9	0	0	0	0	0	113.5	T66 V277 F297	T66-G299 CarbonylContact O-C 3.14Å; T66-G299 WeakPolarHBondContact O-CA 3.31Å; V277-G299 PolarHBondContact N-O 2.76Å; V277-G299 PolarHBondContact O-N 2.8Å; F297-G299 WeakPolarHBondContact CE2-O 3.46Å; F297-G299 VanDerWaalsContact CZ-C 3.46Å; F297-G299 WeakPolarHBondContact CZ-O 3.07Å
300	L	93.8	Very high	94.8	Very high	29 Å²	29	37 Å²	37	15%	0.152	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.1	-178.5	-57	179.4	0	0	0	111.1	T66 G68 V69 I71 R276 F297 M347	T66-L300 CarbonylContact C-O 3.43Å; T66-L300 CarbonylContact O-C 3.36Å; T66-L300 PolarHBondContact O-N 3.46Å; G68-L300 PolarHBondContact N-O 3.48Å; V69-L300 HydrophobicContact CB-CB 3.7Å; V69-L300 HydrophobicContact CG1-CB 4.21Å; V69-L300 PolarHBondContact N-O 3.19Å; I71-L300 HydrophobicContact CD1-CD1 3.39Å; I71-L300 HydrophobicContact CG1-CD1 3.69Å; R276-L300 HydrophobicContact CB-CD2 4.44Å; R276-L300 HydrophobicContact CG-CD2 3.77Å; F297-L300 HydrophobicContact CE2-CD2 3.99Å; F297-L300 HydrophobicContact CZ-CD2 3.9Å; F297-L300 HydrophobicContact CZ-CG 4.2Å; L300-M347 HydrophobicContact CD1-CE 4.25Å; L300-M347 HydrophobicContact CD2-CE 3.5Å; L300-M347 VanDerWaalsContact CD2-CE 3.5Å; L300-M347 HydrophobicContact CG-CE 4.42Å
301	H	96.5	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.5	-172.8	-173.6	52.5	0	0	0	111.3	Q117 C123 A274 L275 V277 V303 N321 S322 W323	Q117-H301 PolarHBondContact OE1-CE1 2.79Å; Q117-H301 VanDerWaalsContact OE1-CE1 3.27Å; C123-H301 WeakPolarHBondContact CB-CE1 3.42Å; C123-H301 VanDerWaalsContact CB-ND1 3.29Å; C123-H301 WeakPolarHBondContact CB-ND1 3.46Å; C123-H301 PolarHBondContact SG-ND1 2.79Å; C123-H301 VanDerWaalsContact SG-ND1 3.41Å; A274-H301 CarbonylContact C-O 3.45Å; A274-H301 WeakPolarHBondContact CA-O 3.38Å; L275-H301 PolarHBondContact N-O 3.14Å; L275-H301 PolarHBondContact O-N 3.18Å; V277-H301 HydrophobicContact CG2-CB 3.38Å; H301-V303 VanDerWaalsContact CD2-CG1 3.47Å; H301-V303 WeakPolarHBondContact CD2-CG1 3.12Å; H301-N321 PolarHBondContact NE2-OD1 3.2Å; H301-S322 PolarHBondContact CE1-OG 3.13Å; H301-W323 AromaticContact CD2-CZ2 3.7Å; H301-W323 AromaticContact CE1-CE2 3.73Å; H301-W323 AromaticContact CE1-CZ2 3.79Å; H301-W323 AromaticContact CE1-NE1 3.45Å; H301-W323 PolarHBondContact CE1-NE1 3.4Å; H301-W323 AromaticContact CG-CZ2 3.93Å; H301-W323 AromaticContact NE2-CE2 3.65Å; H301-W323 AromaticContact NE2-CZ2 3.6Å; H301-W323 AromaticContact NE2-NE1 3.77Å
302	A	97.1	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.3	178	0	0	0	0	0	110.7	V69 C123 S127 P186 V272 V273	V69-A302 HydrophobicContact CG2-CB 3.48Å; V69-A302 VanDerWaalsContact CG2-CB 3.48Å; V69-A302 VanDerWaalsContact CG2-N 3.33Å; C123-A302 HydrophobicContact CB-CB 4.44Å; C123-A302 PolarHBondContact SG-N 3.35Å; S127-A302 WeakPolarHBondContact OG-CB 3.32Å; P186-A302 HydrophobicContact CG-CB 3.96Å; V272-A302 HydrophobicContact CG1-CB 4.12Å; V273-A302 WeakPolarHBondContact O-CA 3.44Å
303	V	98.4	Very high	93.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.6	-176.3	-61.7	0	0	0	0	110.5	V272 V273 L275 H301 A319 F333	V272-V303 WeakPolarHBondContact CA-O 3.08Å; V273-V303 HydrophobicContact CG2-CG2 3.49Å; V273-V303 VanDerWaalsContact CG2-CG2 3.49Å; V273-V303 PolarHBondContact N-O 2.9Å; V273-V303 VanDerWaalsContact N-O 3.1Å; V273-V303 PolarHBondContact O-N 3.42Å; L275-V303 HydrophobicContact CD2-CB 4.38Å; L275-V303 HydrophobicContact CD2-CG1 3.73Å; L275-V303 HydrophobicContact CD2-CG2 3.73Å; H301-V303 VanDerWaalsContact CD2-CG1 3.47Å; H301-V303 WeakPolarHBondContact CD2-CG1 3.12Å; V303-A319 HydrophobicContact CG2-CB 4.17Å; V303-F333 HydrophobicContact CB-CE1 4.27Å; V303-F333 HydrophobicContact CB-CZ 4.31Å; V303-F333 HydrophobicContact CG1-CE1 3.89Å; V303-F333 HydrophobicContact CG1-CZ 4.02Å; V303-F333 HydrophobicContact CG2-CE1 4.44Å; V303-F333 HydrophobicContact CG2-CZ 4.01Å
304	K	98.8	Very high	93.2	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.5	175.3	177.3	173.4	71.2	175.2	0	110	Y110 I111 S130 V131 D134 P270 I306 A319 V320	Y110-K304 PolarHBondContact O-NZ 3.34Å; Y110-K304 VanDerWaalsContact O-NZ 3.12Å; I111-K304 WeakPolarHBondContact O-CE 3.18Å; I111-K304 PolarHBondContact O-NZ 2.96Å; S130-K304 VanDerWaalsContact OG-CE 3.32Å; S130-K304 WeakPolarHBondContact OG-CE 3.34Å; S130-K304 PolarHBondContact OG-NZ 2.86Å; V131-K304 HydrophobicContact CG2-CB 4.3Å; V131-K304 HydrophobicContact CG2-CD 3.87Å; V131-K304 HydrophobicContact CG2-CG 3.67Å; D134-K304 IonicContact OD1-NZ 3.77Å; D134-K304 VanDerWaalsContact OD2-CD 3.27Å; D134-K304 WeakPolarHBondContact OD2-CD 3.12Å; D134-K304 WeakPolarHBondContact OD2-CE 3.23Å; D134-K304 IonicContact OD2-NZ 3.87Å; D134-K304 PolarHBondContact OD2-NZ 3.21Å; P270-K304 HydrophobicContact CB-CD 3.9Å; P270-K304 HydrophobicContact CB-CG 3.83Å; P270-K304 HydrophobicContact CG-CD 4.49Å; K304-I306 HydrophobicContact CD-CG2 4.18Å; K304-I306 HydrophobicContact CG-CG2 3.87Å; K304-A319 CarbonylContact O-C 3.31Å; K304-A319 VanDerWaalsContact O-CA 3.31Å; K304-A319 WeakPolarHBondContact O-CA 3.23Å; K304-V320 HydrophobicContact CB-CB 4.33Å; K304-V320 PolarHBondContact N-O 3.16Å; K304-V320 PolarHBondContact O-N 3.28Å
305	L	98.7	Very high	93.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.9	173.6	-151	66.1	0	0	0	109.4	I261 L265 P270 I271 V273 W317 A319 I344	I261-L305 HydrophobicContact CG2-CD2 3.56Å; L265-L305 HydrophobicContact CD1-CD2 3.92Å; L265-L305 HydrophobicContact CD1-CG 4.13Å; L265-L305 HydrophobicContact CD2-CB 4.37Å; L265-L305 WeakPolarHBondContact CD2-O 3.24Å; P270-L305 WeakPolarHBondContact CA-O 3.5Å; P270-L305 WeakPolarHBondContact CB-O 3.19Å; I271-L305 HydrophobicContact CD1-CD2 4.24Å; I271-L305 HydrophobicContact CG1-CB 3.83Å; I271-L305 HydrophobicContact CG1-CD2 4.23Å; I271-L305 PolarHBondContact N-O 3.22Å; I271-L305 VanDerWaalsContact N-O 3.17Å; I271-L305 PolarHBondContact O-N 3.05Å; V273-L305 HydrophobicContact CG1-CB 4.36Å; V273-L305 HydrophobicContact CG1-CD2 4Å; V273-L305 HydrophobicContact CG2-CB 4.29Å; V273-L305 HydrophobicContact CG2-CD1 4.19Å; L305-W317 HydrophobicContact CD1-CB 3.67Å; L305-W317 HydrophobicContact CD1-CD2 4.45Å; L305-W317 HydrophobicContact CD1-CG 4.12Å; L305-W317 HydrophobicContact CD2-CD2 3.94Å; L305-W317 HydrophobicContact CD2-CE3 3.77Å; L305-W317 HydrophobicContact CD2-CG 4.39Å; L305-W317 HydrophobicContact CD2-CZ3 4.2Å; L305-W317 HydrophobicContact CG-CE3 4.3Å; L305-A319 HydrophobicContact CD1-CB 4.04Å; L305-I344 HydrophobicContact CD1-CD1 4.37Å
306	I	98.8	Very high	93.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-8.2	-175.7	64	162.3	0	0	0	114	A101 R102 I111 P270 K304 L318 V320 L332	A101-I306 HydrophobicContact CB-CB 4.37Å; A101-I306 WeakPolarHBondContact CB-O 3.25Å; A101-I306 PolarHBondContact N-O 3.12Å; R102-I306 HydrophobicContact CG-CD1 4.25Å; I111-I306 HydrophobicContact CG2-CB 4.36Å; I111-I306 HydrophobicContact CG2-CG2 4.16Å; P270-I306 HydrophobicContact CB-CG2 4.16Å; P270-I306 HydrophobicContact CG-CG2 3.97Å; K304-I306 HydrophobicContact CD-CG2 4.18Å; K304-I306 HydrophobicContact CG-CG2 3.87Å; I306-L318 HydrophobicContact CD1-CD2 3.8Å; I306-L318 HydrophobicContact CD1-CG 4Å; I306-L318 HydrophobicContact CG1-CB 4.37Å; I306-L318 HydrophobicContact CG1-CD2 3.92Å; I306-L318 HydrophobicContact CG1-CG 3.79Å; I306-L318 WeakPolarHBondContact CG1-O 3.07Å; I306-L318 PolarHBondContact N-O 2.98Å; I306-V320 HydrophobicContact CD1-CG2 3.79Å; I306-V320 HydrophobicContact CG1-CG2 4.14Å; I306-V320 HydrophobicContact CG2-CG2 3.73Å; I306-L332 HydrophobicContact CD1-CD2 4.01Å
307	G	98.6	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-167.9	179.7	0	0	0	0	0	114.4	F99 L318	F99-G307 CarbonylContact O-C 3.42Å; F99-G307 WeakPolarHBondContact O-CA 3.35Å; G307-L318 PolarHBondContact N-O 3.16Å; G307-L318 PolarHBondContact O-N 3.19Å
308	W	98.3	Very high	94.3	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.011	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165.9	179.9	67.9	89.8	0	0	0	110.6	V94 P96 A97 N98 F99 Q262 L265 K266 Y316 W317	V94-W308 HydrophobicContact CG1-CZ2 4.36Å; P96-W308 WeakPolarHBondContact O-CZ2 3.41Å; P96-W308 PolarHBondContact O-NE1 2.89Å; A97-W308 PolarHBondContact O-NE1 3.44Å; N98-W308 WeakPolarHBondContact CA-O 3.25Å; F99-W308 HydrophobicContact CB-CD2 3.69Å; F99-W308 HydrophobicContact CB-CE3 3.68Å; F99-W308 HydrophobicContact CB-CH2 3.3Å; F99-W308 HydrophobicContact CB-CZ2 3.35Å; F99-W308 HydrophobicContact CB-CZ3 3.47Å; F99-W308 VanDerWaalsContact CB-CZ3 3.47Å; F99-W308 AromaticContact CD1-CE3 3.8Å; F99-W308 HydrophobicContact CD1-CE3 3.8Å; F99-W308 AromaticContact CD1-CH2 3.77Å; F99-W308 HydrophobicContact CD1-CH2 3.77Å; F99-W308 AromaticContact CD1-CZ3 3.27Å; F99-W308 HydrophobicContact CD1-CZ3 3.27Å; F99-W308 AromaticContact CD2-CH2 3.91Å; F99-W308 HydrophobicContact CD2-CH2 3.91Å; F99-W308 HydrophobicContact CD2-CZ3 4.28Å; F99-W308 HydrophobicContact CE1-CZ3 4.06Å; F99-W308 HydrophobicContact CG-CE3 4.02Å; F99-W308 AromaticContact CG-CH2 3.38Å; F99-W308 HydrophobicContact CG-CH2 3.38Å; F99-W308 AromaticContact CG-CZ2 3.97Å; F99-W308 HydrophobicContact CG-CZ2 3.97Å; F99-W308 AromaticContact CG-CZ3 3.41Å; F99-W308 HydrophobicContact CG-CZ3 3.41Å; F99-W308 VanDerWaalsContact CG-CZ3 3.41Å; F99-W308 PolarHBondContact N-O 3.12Å; F99-W308 PolarHBondContact O-N 2.99Å; F99-W308 VanDerWaalsContact O-O 3.07Å; Q262-W308 HydrophobicContact CB-CD2 4.39Å; Q262-W308 HydrophobicContact CB-CE3 4.22Å; Q262-W308 HydrophobicContact CB-CH2 4.1Å; Q262-W308 HydrophobicContact CB-CZ2 4.22Å; Q262-W308 HydrophobicContact CB-CZ3 4.09Å; Q262-W308 HydrophobicContact CG-CD2 3.91Å; Q262-W308 HydrophobicContact CG-CE3 4.05Å; Q262-W308 HydrophobicContact CG-CG 4.35Å; Q262-W308 HydrophobicContact CG-CZ2 4.47Å; Q262-W308 HydrophobicContact CG-CZ3 4.42Å; Q262-W308 VanDerWaalsContact NE2-CD1 3.28Å; Q262-W308 VanDerWaalsContact NE2-NE1 3.15Å; Q262-W308 WeakPolarHBondContact O-CH2 3.26Å; Q262-W308 WeakPolarHBondContact O-CZ3 3.1Å; L265-W308 HydrophobicContact CB-CE3 4.26Å; L265-W308 HydrophobicContact CB-CZ3 3.7Å; L265-W308 HydrophobicContact CD1-CE3 3.93Å; L265-W308 HydrophobicContact CD1-CZ3 4.22Å; K266-W308 HydrophobicContact CB-CH2 3.94Å; K266-W308 HydrophobicContact CG-CH2 4.48Å; W308-Y316 CarbonylContact C-O 3.55Å; W308-Y316 WeakPolarHBondContact CA-O 3.29Å; W308-Y316 VanDerWaalsContact CB-O 3.28Å; W308-Y316 WeakPolarHBondContact CB-O 3.34Å; W308-W317 HydrophobicContact CB-CE3 3.72Å; W308-W317 HydrophobicContact CB-CZ3 3.87Å; W308-W317 HydrophobicContact CE3-CZ3 4.27Å; W308-W317 HydrophobicContact CG-CZ3 4.42Å
309	G	97.3	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-168.5	170	0	0	0	0	0	113	N98 P315 Y316 R337	N98-G309 WeakPolarHBondContact OD1-CA 3.43Å; G309-P315 WeakPolarHBondContact O-CA 3.15Å; G309-Y316 VanDerWaalsContact C-CE1 3.48Å; G309-Y316 PolarHBondContact N-O 2.65Å; G309-Y316 PolarHBondContact O-N 3.18Å; G309-R337 PolarHBondContact O-NH2 2.98Å
310	E	92.5	Very high	94.9	Very high	66 Å²	66	24.4 Å²	24.4	31%	0.308	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127	174.4	-64.6	176.2	177	0	0	107.5	K93 N98 P315 R337	K93-E310 WeakPolarHBondContact CE-OE1 3.42Å; K93-E310 IonicContact NZ-OE1 3.95Å; K93-E310 PolarHBondContact NZ-OE1 3.29Å; K93-E310 VanDerWaalsContact NZ-OE1 3.08Å; K93-E310 IonicContact NZ-OE2 3.08Å; N98-E310 PolarHBondContact OD1-N 3.1Å; E310-P315 HydrophobicContact CG-CB 4.43Å; E310-R337 IonicContact OE1-NH2 2.65Å
311	S	84.6	Confident	95.1	Very high	67 Å²	67	23.2 Å²	23.2	47%	0.469	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.3	170.4	-171.1	0	0	0	0	108.2	V313 M314	S311-V313 PolarHBondContact O-N 3.08Å; S311-M314 PolarHBondContact N-O 3.11Å; S311-M314 PolarHBondContact O-N 3.23Å
312	G	82.4	Confident	95.1	Very high	74 Å²	74	23.4 Å²	23.4	76%	0.763	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	-125.1	-165.9	0	0	0	0	0	110.2
313	V	79.3	Confident	95.1	Very high	138 Å²	138	23.4 Å²	23.4	84%	0.836	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.1	178.4	-61.5	0	0	0	0	114	S311 P315	S311-V313 PolarHBondContact O-N 3.08Å; V313-P315 WeakPolarHBondContact O-CD 3.18Å
314	M	88.3	Confident	94.9	Very high	45 Å²	45	25 Å²	25	22%	0.222	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104	-174	-71	-59.2	-73	0	0	111.5	T45 I288 S311 V336	T45-M314 HydrophobicContact CG2-CE 4.19Å; T45-M314 HydrophobicContact CG2-CG 4.09Å; I288-M314 HydrophobicContact CD1-CB 3.66Å; I288-M314 WeakPolarHBondContact CD1-O 3.39Å; S311-M314 PolarHBondContact N-O 3.11Å; S311-M314 PolarHBondContact O-N 3.23Å; M314-V336 HydrophobicContact CE-CG1 4.25Å; M314-V336 HydrophobicContact CE-CG2 3.63Å
315	P	95.7	Very high	94.8	Very high	25 Å²	25	29.2 Å²	29.2	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142.2	170.3	28.8	-36.3	0	0	0	111.1	G309 E310 V313 R337	G309-P315 WeakPolarHBondContact O-CA 3.15Å; E310-P315 HydrophobicContact CG-CB 4.43Å; V313-P315 WeakPolarHBondContact O-CD 3.18Å; P315-R337 HydrophobicContact CB-CB 4.26Å; P315-R337 VanDerWaalsContact CG-O 3.23Å; P315-R337 WeakPolarHBondContact CG-O 3.47Å; P315-R337 PolarHBondContact O-N 3.4Å
316	Y	98.1	Very high	94.6	Very high	38 Å²	38	31.9 Å²	31.9	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156	177.9	65.7	-95.3	0	0	0	112.9	I288 W308 G309 L318 R334 I335 R337	I288-Y316 HydrophobicContact CD1-CD1 3.65Å; I288-Y316 HydrophobicContact CD1-CG 4.22Å; I288-Y316 HydrophobicContact CG1-CD1 4Å; I288-Y316 HydrophobicContact CG1-CG 4.19Å; W308-Y316 CarbonylContact C-O 3.55Å; W308-Y316 WeakPolarHBondContact CA-O 3.29Å; W308-Y316 VanDerWaalsContact CB-O 3.28Å; W308-Y316 WeakPolarHBondContact CB-O 3.34Å; G309-Y316 VanDerWaalsContact C-CE1 3.48Å; G309-Y316 PolarHBondContact N-O 2.65Å; G309-Y316 PolarHBondContact O-N 3.18Å; Y316-L318 HydrophobicContact CE2-CB 4.39Å; Y316-R334 HydrophobicContact CD2-CB 3.82Å; Y316-R334 HydrophobicContact CD2-CG 3.64Å; Y316-R334 HydrophobicContact CE2-CB 4.48Å; Y316-R334 VanDerWaalsContact CE2-CD 3.47Å; Y316-R334 HydrophobicContact CE2-CG 3.83Å; Y316-R334 HydrophobicContact CG-CB 4.11Å; Y316-R334 HydrophobicContact CG-CG 4.34Å; Y316-I335 CarbonylContact C-O 3.58Å; Y316-I335 WeakPolarHBondContact CA-O 3.49Å; Y316-I335 WeakPolarHBondContact CB-O 3.49Å; Y316-R337 PolarHBondContact O-NE 3.16Å
317	W	98.6	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.9	159.7	-66.8	117.2	0	0	0	110.5	V258 I261 Q262 L265 L305 W308 R334 I335 R337 E345	V258-W317 HydrophobicContact CB-CZ2 4.44Å; V258-W317 HydrophobicContact CG1-CH2 4.15Å; V258-W317 HydrophobicContact CG1-CZ2 3.89Å; V258-W317 HydrophobicContact CG2-CZ2 4.44Å; I261-W317 HydrophobicContact CB-CH2 3.75Å; I261-W317 HydrophobicContact CB-CZ2 4.19Å; I261-W317 HydrophobicContact CD1-CZ2 4.4Å; I261-W317 HydrophobicContact CG2-CE3 4.42Å; I261-W317 HydrophobicContact CG2-CH2 3.3Å; I261-W317 HydrophobicContact CG2-CZ2 3.85Å; I261-W317 HydrophobicContact CG2-CZ3 3.65Å; Q262-W317 HydrophobicContact CG-CH2 3.53Å; Q262-W317 HydrophobicContact CG-CZ3 3.78Å; L265-W317 HydrophobicContact CD1-CE3 4.21Å; L265-W317 HydrophobicContact CD1-CZ3 3.79Å; L305-W317 HydrophobicContact CD1-CB 3.67Å; L305-W317 HydrophobicContact CD1-CD2 4.45Å; L305-W317 HydrophobicContact CD1-CG 4.12Å; L305-W317 HydrophobicContact CD2-CD2 3.94Å; L305-W317 HydrophobicContact CD2-CE3 3.77Å; L305-W317 HydrophobicContact CD2-CG 4.39Å; L305-W317 HydrophobicContact CD2-CZ3 4.2Å; L305-W317 HydrophobicContact CG-CE3 4.3Å; W308-W317 HydrophobicContact CB-CE3 3.72Å; W308-W317 HydrophobicContact CB-CZ3 3.87Å; W308-W317 HydrophobicContact CE3-CZ3 4.27Å; W308-W317 HydrophobicContact CG-CZ3 4.42Å; W317-R334 WeakPolarHBondContact O-CA 3.19Å; W317-I335 HydrophobicContact CB-CG2 3.97Å; W317-I335 PolarHBondContact N-O 3.47Å; W317-I335 PolarHBondContact O-N 2.68Å; W317-R337 HydrophobicContact CD2-CB 4.12Å; W317-R337 HydrophobicContact CD2-CG 3.94Å; W317-R337 VanDerWaalsContact CE2-CD 3.41Å; W317-R337 HydrophobicContact CG-CB 3.97Å; W317-R337 HydrophobicContact CG-CG 4.32Å; W317-R337 HydrophobicContact CH2-CG 4.34Å; W317-R337 VanDerWaalsContact CZ2-CD 3.46Å; W317-R337 HydrophobicContact CZ2-CG 3.64Å; W317-E345 PolarHBondContact NE1-OE1 3.43Å
318	L	98.8	Very high	94.5	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.8	172.7	178.1	64.7	0	0	0	109.3	I306 G307 Y316 L332 R334	I306-L318 HydrophobicContact CD1-CD2 3.8Å; I306-L318 HydrophobicContact CD1-CG 4Å; I306-L318 HydrophobicContact CG1-CB 4.37Å; I306-L318 HydrophobicContact CG1-CD2 3.92Å; I306-L318 HydrophobicContact CG1-CG 3.79Å; I306-L318 WeakPolarHBondContact CG1-O 3.07Å; I306-L318 PolarHBondContact N-O 2.98Å; G307-L318 PolarHBondContact N-O 3.16Å; G307-L318 PolarHBondContact O-N 3.19Å; Y316-L318 HydrophobicContact CE2-CB 4.39Å; L318-L332 HydrophobicContact CD1-CD2 3.98Å; L318-L332 HydrophobicContact CG-CD2 4.4Å; L318-R334 HydrophobicContact CD1-CG 3.84Å
319	A	98.9	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.2	-176.1	0	0	0	0	0	112.6	V303 K304 L305 L332 F333	V303-A319 HydrophobicContact CG2-CB 4.17Å; K304-A319 CarbonylContact O-C 3.31Å; K304-A319 VanDerWaalsContact O-CA 3.31Å; K304-A319 WeakPolarHBondContact O-CA 3.23Å; L305-A319 HydrophobicContact CD1-CB 4.04Å; A319-L332 VanDerWaalsContact O-CA 3.27Å; A319-L332 WeakPolarHBondContact O-CA 3.2Å; A319-L332 WeakPolarHBondContact O-CB 3.27Å; A319-F333 HydrophobicContact CB-CD1 4.09Å; A319-F333 HydrophobicContact CB-CD2 4.48Å; A319-F333 HydrophobicContact CB-CE1 3.55Å; A319-F333 HydrophobicContact CB-CE2 4Å; A319-F333 HydrophobicContact CB-CZ 3.52Å; A319-F333 PolarHBondContact N-O 3.04Å; A319-F333 PolarHBondContact O-N 3.38Å
320	V	98.8	Very high	94.5	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.6	172.5	-176	0	0	0	0	107.9	V114 K304 I306 L332	V114-V320 HydrophobicContact CB-CG1 4.43Å; V114-V320 HydrophobicContact CG2-CG1 3.86Å; K304-V320 HydrophobicContact CB-CB 4.33Å; K304-V320 PolarHBondContact N-O 3.16Å; K304-V320 PolarHBondContact O-N 3.28Å; I306-V320 HydrophobicContact CD1-CG2 3.79Å; I306-V320 HydrophobicContact CG1-CG2 4.14Å; I306-V320 HydrophobicContact CG2-CG2 3.73Å; V320-L332 HydrophobicContact CG2-CD2 4.18Å; V320-L332 HydrophobicContact CG2-CG 4.21Å
321	N	98.2	Very high	94.8	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.027	24%	0.237	C	C	.	.			trans	-87.1	175.1	178.7	-153.7	-6.7	0	0	0	111.6	H301 W323 F327 G331 F333	H301-N321 PolarHBondContact NE2-OD1 3.2Å; N321-W323 WeakPolarHBondContact ND2-CZ3 3.02Å; N321-F327 HydrophobicContact CB-CD1 4.06Å; N321-F327 HydrophobicContact CB-CE1 4.36Å; N321-F327 WeakPolarHBondContact ND2-CD1 3.2Å; N321-F327 WeakPolarHBondContact ND2-CE1 2.93Å; N321-G331 WeakPolarHBondContact CB-O 3.41Å; N321-G331 PolarHBondContact N-O 3.39Å; N321-F333 HydrophobicContact CB-CD1 4.23Å; N321-F333 HydrophobicContact CB-CE1 4.28Å
322	S	97.3	Very high	95.5	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	22%	0.218	C	C	.	.	S	Bend	trans	-119.1	29.4	178	51.1	0	0	0	0	112.7	K115 D116 Q117 H301	K115-S322 CarbonylContact O-C 3.37Å; K115-S322 VanDerWaalsContact O-CA 3.3Å; K115-S322 WeakPolarHBondContact O-CA 3.38Å; D116-S322 WeakPolarHBondContact CA-O 3.25Å; Q117-S322 PolarHBondContact N-O 2.85Å; Q117-S322 PolarHBondContact OE1-OG 3.31Å; H301-S322 PolarHBondContact CE1-OG 3.13Å
323	W	96.2	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-119.1	39.5	-176.7	-64.7	-14.7	0	0	0	111.4	Y53 F54 T66 V277 F281 H301 N321 F327	Y53-W323 HydrophobicContact CD1-CB 3.72Å; Y53-W323 HydrophobicContact CD1-CG 4.11Å; Y53-W323 HydrophobicContact CD2-CB 4.23Å; Y53-W323 WeakPolarHBondContact CD2-O 3.31Å; Y53-W323 HydrophobicContact CE1-CB 3.35Å; Y53-W323 AromaticContact CE1-CD1 3.8Å; Y53-W323 HydrophobicContact CE1-CD2 4.04Å; Y53-W323 AromaticContact CE1-CG 3.42Å; Y53-W323 HydrophobicContact CE1-CG 3.42Å; Y53-W323 VanDerWaalsContact CE1-CG 3.42Å; Y53-W323 HydrophobicContact CE2-CB 3.93Å; Y53-W323 WeakPolarHBondContact CE2-O 3.37Å; Y53-W323 HydrophobicContact CG-CB 4.13Å; Y53-W323 VanDerWaalsContact CZ-CB 3.47Å; Y53-W323 AromaticContact CZ-CD1 3.88Å; Y53-W323 AromaticContact CZ-CG 3.77Å; F54-W323 HydrophobicContact CE2-CD2 4.46Å; F54-W323 AromaticContact CE2-CE3 3.69Å; F54-W323 HydrophobicContact CE2-CE3 3.69Å; F54-W323 AromaticContact CE2-CZ3 3.88Å; F54-W323 HydrophobicContact CE2-CZ3 3.88Å; F54-W323 AromaticContact CZ-CD2 3.83Å; F54-W323 HydrophobicContact CZ-CD2 3.83Å; F54-W323 AromaticContact CZ-CE3 3.4Å; F54-W323 HydrophobicContact CZ-CE3 3.4Å; F54-W323 HydrophobicContact CZ-CH2 4.1Å; F54-W323 HydrophobicContact CZ-CZ2 4.44Å; F54-W323 AromaticContact CZ-CZ3 3.56Å; F54-W323 HydrophobicContact CZ-CZ3 3.56Å; T66-W323 HydrophobicContact CG2-CH2 4.16Å; T66-W323 HydrophobicContact CG2-CZ2 3.97Å; V277-W323 HydrophobicContact CG1-CH2 4.34Å; V277-W323 HydrophobicContact CG2-CH2 4.41Å; F281-W323 AromaticContact CD1-CH2 3.99Å; F281-W323 HydrophobicContact CD1-CH2 3.99Å; F281-W323 AromaticContact CD1-CZ3 3.87Å; F281-W323 HydrophobicContact CD1-CZ3 3.87Å; F281-W323 AromaticContact CE1-CH2 3.96Å; F281-W323 HydrophobicContact CE1-CH2 3.96Å; F281-W323 AromaticContact CE1-CZ3 3.72Å; F281-W323 HydrophobicContact CE1-CZ3 3.72Å; H301-W323 AromaticContact CD2-CZ2 3.7Å; H301-W323 AromaticContact CE1-CE2 3.73Å; H301-W323 AromaticContact CE1-CZ2 3.79Å; H301-W323 AromaticContact CE1-NE1 3.45Å; H301-W323 PolarHBondContact CE1-NE1 3.4Å; H301-W323 AromaticContact CG-CZ2 3.93Å; H301-W323 AromaticContact NE2-CE2 3.65Å; H301-W323 AromaticContact NE2-CZ2 3.6Å; H301-W323 AromaticContact NE2-NE1 3.77Å; N321-W323 WeakPolarHBondContact ND2-CZ3 3.02Å; W323-F327 HydrophobicContact CB-CB 4.09Å; W323-F327 HydrophobicContact CB-CG 4.36Å; W323-F327 HydrophobicContact CE3-CD1 4.37Å; W323-F327 AromaticContact CE3-CD2 3.69Å; W323-F327 HydrophobicContact CE3-CD2 3.69Å; W323-F327 HydrophobicContact CE3-CE1 4.36Å; W323-F327 AromaticContact CE3-CE2 3.68Å; W323-F327 HydrophobicContact CE3-CE2 3.68Å; W323-F327 HydrophobicContact CE3-CG 4.04Å; W323-F327 HydrophobicContact CE3-CZ 4.01Å; W323-F327 HydrophobicContact CZ3-CD2 4.26Å; W323-F327 AromaticContact CZ3-CE2 3.76Å; W323-F327 HydrophobicContact CZ3-CE2 3.76Å; W323-F327 AromaticContact CZ3-CZ 3.93Å; W323-F327 HydrophobicContact CZ3-CZ 3.93Å; W323-F327 WeakPolarHBondContact O-CB 3.45Å
324	N	95.1	Very high	97.2	Very high	35 Å²	35	29.5 Å²	29.5	19%	0.187	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-179.8	-176.8	84.2	30.1	0	0	0	115.4	Y53 V114 K115 D116 T326 G331	Y53-N324 VanDerWaalsContact CD2-ND2 3.32Å; Y53-N324 WeakPolarHBondContact CD2-ND2 3.41Å; V114-N324 VanDerWaalsContact CG1-C 3.46Å; V114-N324 WeakPolarHBondContact CG1-O 3.17Å; K115-N324 PolarHBondContact O-N 3.13Å; D116-N324 HydrophobicContact CB-CB 4.08Å; N324-T326 VanDerWaalsContact C-N 3.32Å; N324-T326 PolarHBondContact O-N 2.88Å; N324-T326 WeakPolarHBondContact OD1-CB 3.13Å; N324-T326 PolarHBondContact OD1-N 3.5Å; N324-T326 PolarHBondContact OD1-OG1 3.46Å; N324-G331 WeakPolarHBondContact O-CA 3.44Å
325	T	96.4	Very high	97.6	Very high	90 Å²	90	27.4 Å²	27.4	55%	0.552	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.7	-172.7	51.2	0	0	0	0	114.2	V114 K330 G331	V114-T325 HydrophobicContact CB-CG2 3.98Å; V114-T325 HydrophobicContact CG1-CG2 4.38Å; V114-T325 HydrophobicContact CG2-CG2 4.35Å; T325-K330 CarbonylContact O-C 3.48Å; T325-K330 VanDerWaalsContact O-CA 3.25Å; T325-K330 WeakPolarHBondContact O-CA 3.02Å; T325-G331 PolarHBondContact O-N 2.81Å
326	T	95.3	Very high	97.7	Very high	57 Å²	57	26.2 Å²	26.2	35%	0.35	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.3	176.4	70.7	0	0	0	0	112.4	N51 S52 N324	N51-T326 PolarHBondContact ND2-O 3.16Å; N51-T326 VanDerWaalsContact ND2-O 3.09Å; N51-T326 PolarHBondContact OD1-O 3.05Å; S52-T326 VanDerWaalsContact OG-CB 3.29Å; S52-T326 WeakPolarHBondContact OG-CB 3.46Å; S52-T326 PolarHBondContact OG-OG1 3.19Å; N324-T326 VanDerWaalsContact C-N 3.32Å; N324-T326 PolarHBondContact O-N 2.88Å; N324-T326 WeakPolarHBondContact OD1-CB 3.13Å; N324-T326 PolarHBondContact OD1-N 3.5Å; N324-T326 PolarHBondContact OD1-OG1 3.46Å
327	F	96.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-68.6	136.8	172	-178.3	-98.5	0	0	0	112.4	N51 F54 F281 Y284 N321 W323 E329 G331 F333	N51-F327 VanDerWaalsContact ND2-CA 3.3Å; N51-F327 WeakPolarHBondContact ND2-CA 3.36Å; N51-F327 WeakPolarHBondContact OD1-CA 3.18Å; F54-F327 AromaticContact CE2-CD2 3.88Å; F54-F327 HydrophobicContact CE2-CD2 3.88Å; F54-F327 AromaticContact CE2-CE2 3.99Å; F54-F327 HydrophobicContact CE2-CE2 3.99Å; F281-F327 HydrophobicContact CD1-CZ 4.29Å; F281-F327 HydrophobicContact CE1-CE1 4.37Å; F281-F327 AromaticContact CE1-CZ 3.79Å; F281-F327 HydrophobicContact CE1-CZ 3.79Å; F281-F327 HydrophobicContact CE2-CZ 4.42Å; F281-F327 HydrophobicContact CZ-CE1 4.2Å; F281-F327 AromaticContact CZ-CZ 3.87Å; F281-F327 HydrophobicContact CZ-CZ 3.87Å; Y284-F327 HydrophobicContact CD1-CE1 4.28Å; Y284-F327 HydrophobicContact CD1-CZ 4.24Å; N321-F327 HydrophobicContact CB-CD1 4.06Å; N321-F327 HydrophobicContact CB-CE1 4.36Å; N321-F327 WeakPolarHBondContact ND2-CD1 3.2Å; N321-F327 WeakPolarHBondContact ND2-CE1 2.93Å; W323-F327 HydrophobicContact CB-CB 4.09Å; W323-F327 HydrophobicContact CB-CG 4.36Å; W323-F327 HydrophobicContact CE3-CD1 4.37Å; W323-F327 AromaticContact CE3-CD2 3.69Å; W323-F327 HydrophobicContact CE3-CD2 3.69Å; W323-F327 HydrophobicContact CE3-CE1 4.36Å; W323-F327 AromaticContact CE3-CE2 3.68Å; W323-F327 HydrophobicContact CE3-CE2 3.68Å; W323-F327 HydrophobicContact CE3-CG 4.04Å; W323-F327 HydrophobicContact CE3-CZ 4.01Å; W323-F327 HydrophobicContact CZ3-CD2 4.26Å; W323-F327 AromaticContact CZ3-CE2 3.76Å; W323-F327 HydrophobicContact CZ3-CE2 3.76Å; W323-F327 AromaticContact CZ3-CZ 3.93Å; W323-F327 HydrophobicContact CZ3-CZ 3.93Å; W323-F327 WeakPolarHBondContact O-CB 3.45Å; F327-E329 PolarHBondContact O-N 2.95Å; F327-G331 WeakPolarHBondContact O-CA 3.48Å; F327-G331 PolarHBondContact O-N 3.21Å; F327-F333 HydrophobicContact CE1-CB 4.38Å; F327-F333 HydrophobicContact CE1-CD1 4.38Å
328	G	97.9	Very high	97.4	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-131.9	168.8	0	0	0	0	0	116.2	N51 Y284 K285 K330	N51-G328 PolarHBondContact ND2-N 3.41Å; Y284-G328 WeakPolarHBondContact O-CA 2.92Å; K285-G328 CarbonylContact O-C 3.51Å; K285-G328 WeakPolarHBondContact O-CA 3.05Å; G328-K330 VanDerWaalsContact C-N 3.34Å; G328-K330 PolarHBondContact O-N 3.44Å; G328-K330 VanDerWaalsContact O-N 3.1Å
329	E	98	Very high	97.2	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-87.1	69.2	-177.2	-58.5	-174.8	143.2	0	0	110.5	Y284 K285 S286 G287 F327 G331 L332 R334	Y284-E329 HydrophobicContact CE1-CG 4.08Å; Y284-E329 VanDerWaalsContact OH-CD 3.29Å; Y284-E329 PolarHBondContact OH-OE2 2.94Å; K285-E329 PolarHBondContact O-N 3.46Å; S286-E329 VanDerWaalsContact CA-OE1 3.31Å; S286-E329 WeakPolarHBondContact CA-OE1 3.15Å; S286-E329 VanDerWaalsContact CB-OE1 3.29Å; S286-E329 WeakPolarHBondContact CB-OE1 3.23Å; G287-E329 PolarHBondContact N-OE1 2.61Å; F327-E329 PolarHBondContact O-N 2.95Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.88Å; E329-L332 HydrophobicContact CB-CB 4.46Å; E329-L332 PolarHBondContact N-O 3.34Å; E329-L332 WeakPolarHBondContact O-CB 3.49Å; E329-L332 PolarHBondContact O-N 3.24Å; E329-R334 IonicContact OE1-CZ 3.02Å; E329-R334 IonicContact OE1-NE 2.78Å; E329-R334 PolarHBondContact OE1-NE 3.25Å; E329-R334 IonicContact OE1-NH2 2.7Å; E329-R334 PolarHBondContact OE1-NH2 2.97Å; E329-R334 IonicContact OE2-CZ 3.96Å; E329-R334 IonicContact OE2-NE 2.85Å; E329-R334 PolarHBondContact OE2-NE 2.82Å; E329-R334 IonicContact OE2-NH2 2.66Å
330	K	97.8	Very high	97.1	Very high	171 Å²	171	37.4 Å²	37.4	74%	0.743	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	39.9	-174.9	-57.1	-179.4	179.7	179.4	0	113.1	V114 T325 G328	V114-K330 WeakPolarHBondContact CG2-O 3.32Å; T325-K330 CarbonylContact O-C 3.48Å; T325-K330 VanDerWaalsContact O-CA 3.25Å; T325-K330 WeakPolarHBondContact O-CA 3.02Å; G328-K330 VanDerWaalsContact C-N 3.34Å; G328-K330 PolarHBondContact O-N 3.44Å; G328-K330 VanDerWaalsContact O-N 3.1Å
331	G	98.2	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	0.3	-177.1	0	0	0	0	0	114.7	N321 N324 T325 F327 E329	N321-G331 WeakPolarHBondContact CB-O 3.41Å; N321-G331 PolarHBondContact N-O 3.39Å; N324-G331 WeakPolarHBondContact O-CA 3.44Å; T325-G331 PolarHBondContact O-N 2.81Å; F327-G331 WeakPolarHBondContact O-CA 3.48Å; F327-G331 PolarHBondContact O-N 3.21Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.88Å
332	L	98.7	Very high	96.9	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	164.6	173.6	-67.7	83	0	0	0	110.6	V114 I306 L318 A319 V320 E329	V114-L332 HydrophobicContact CG2-CD1 3.93Å; I306-L332 HydrophobicContact CD1-CD2 4.01Å; L318-L332 HydrophobicContact CD1-CD2 3.98Å; L318-L332 HydrophobicContact CG-CD2 4.4Å; A319-L332 VanDerWaalsContact O-CA 3.27Å; A319-L332 WeakPolarHBondContact O-CA 3.2Å; A319-L332 WeakPolarHBondContact O-CB 3.27Å; V320-L332 HydrophobicContact CG2-CD2 4.18Å; V320-L332 HydrophobicContact CG2-CG 4.21Å; E329-L332 HydrophobicContact CB-CB 4.46Å; E329-L332 PolarHBondContact N-O 3.34Å; E329-L332 WeakPolarHBondContact O-CB 3.49Å; E329-L332 PolarHBondContact O-N 3.24Å
333	F	98.7	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.1	167.7	66.7	-81.2	0	0	0	110.6	L275 F281 Y284 V303 A319 N321 F327 I335	L275-F333 HydrophobicContact CD2-CZ 4.3Å; F281-F333 AromaticContact CE2-CD2 3.8Å; F281-F333 HydrophobicContact CE2-CD2 3.8Å; F281-F333 HydrophobicContact CE2-CE2 4.11Å; F281-F333 HydrophobicContact CE2-CG 4.12Å; F281-F333 HydrophobicContact CZ-CB 4.47Å; F281-F333 AromaticContact CZ-CD1 3.98Å; F281-F333 HydrophobicContact CZ-CD1 3.98Å; F281-F333 AromaticContact CZ-CD2 3.76Å; F281-F333 HydrophobicContact CZ-CD2 3.76Å; F281-F333 HydrophobicContact CZ-CE1 4.07Å; F281-F333 AromaticContact CZ-CE2 3.85Å; F281-F333 HydrophobicContact CZ-CE2 3.85Å; F281-F333 AromaticContact CZ-CG 3.82Å; F281-F333 HydrophobicContact CZ-CG 3.82Å; F281-F333 AromaticContact CZ-CZ 3.98Å; F281-F333 HydrophobicContact CZ-CZ 3.98Å; Y284-F333 HydrophobicContact CD1-CB 3.82Å; Y284-F333 HydrophobicContact CE1-CB 3.33Å; V303-F333 HydrophobicContact CB-CE1 4.27Å; V303-F333 HydrophobicContact CB-CZ 4.31Å; V303-F333 HydrophobicContact CG1-CE1 3.89Å; V303-F333 HydrophobicContact CG1-CZ 4.02Å; V303-F333 HydrophobicContact CG2-CE1 4.44Å; V303-F333 HydrophobicContact CG2-CZ 4.01Å; A319-F333 HydrophobicContact CB-CD1 4.09Å; A319-F333 HydrophobicContact CB-CD2 4.48Å; A319-F333 HydrophobicContact CB-CE1 3.55Å; A319-F333 HydrophobicContact CB-CE2 4Å; A319-F333 HydrophobicContact CB-CZ 3.52Å; A319-F333 PolarHBondContact N-O 3.04Å; A319-F333 PolarHBondContact O-N 3.38Å; N321-F333 HydrophobicContact CB-CD1 4.23Å; N321-F333 HydrophobicContact CB-CE1 4.28Å; F327-F333 HydrophobicContact CE1-CB 4.38Å; F327-F333 HydrophobicContact CE1-CD1 4.38Å; F333-I335 HydrophobicContact CD2-CB 4.19Å; F333-I335 HydrophobicContact CD2-CG2 4.34Å; F333-I335 HydrophobicContact CE2-CB 4.1Å; F333-I335 HydrophobicContact CE2-CG2 3.92Å
334	R	98.5	Very high	96.8	Very high	53 Å²	53	38.7 Å²	38.7	20%	0.2	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.8	169.1	-61.3	171.2	-77.2	158.8	-1.8	109	Y284 G287 I288 Y289 Y316 W317 L318 E329	Y284-R334 PolarHBondContact OH-N 2.99Å; G287-R334 WeakPolarHBondContact O-CB 3.41Å; I288-R334 HydrophobicContact CG1-CB 4.5Å; Y289-R334 VanDerWaalsContact CB-O 3.3Å; Y289-R334 WeakPolarHBondContact CB-O 3.35Å; Y289-R334 PolarHBondContact N-O 3.16Å; Y316-R334 HydrophobicContact CD2-CB 3.82Å; Y316-R334 HydrophobicContact CD2-CG 3.64Å; Y316-R334 HydrophobicContact CE2-CB 4.48Å; Y316-R334 VanDerWaalsContact CE2-CD 3.47Å; Y316-R334 HydrophobicContact CE2-CG 3.83Å; Y316-R334 HydrophobicContact CG-CB 4.11Å; Y316-R334 HydrophobicContact CG-CG 4.34Å; W317-R334 WeakPolarHBondContact O-CA 3.19Å; L318-R334 HydrophobicContact CD1-CG 3.84Å; E329-R334 IonicContact OE1-CZ 3.02Å; E329-R334 IonicContact OE1-NE 2.78Å; E329-R334 PolarHBondContact OE1-NE 3.25Å; E329-R334 IonicContact OE1-NH2 2.7Å; E329-R334 PolarHBondContact OE1-NH2 2.97Å; E329-R334 IonicContact OE2-CZ 3.96Å; E329-R334 IonicContact OE2-NE 2.85Å; E329-R334 PolarHBondContact OE2-NE 2.82Å; E329-R334 IonicContact OE2-NH2 2.66Å
335	I	98.3	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.3	-178.1	-177.5	169.1	0	0	0	109	L275 Y289 Y316 W317 F333 R337 E341 C342 I344	L275-I335 HydrophobicContact CD1-CD1 4.38Å; Y289-I335 HydrophobicContact CD1-CB 4.43Å; Y289-I335 HydrophobicContact CD1-CD1 3.79Å; Y289-I335 HydrophobicContact CD1-CG1 3.87Å; Y289-I335 HydrophobicContact CE1-CD1 4.21Å; Y289-I335 WeakPolarHBondContact O-CA 3.38Å; Y316-I335 CarbonylContact C-O 3.58Å; Y316-I335 WeakPolarHBondContact CA-O 3.49Å; Y316-I335 WeakPolarHBondContact CB-O 3.49Å; W317-I335 HydrophobicContact CB-CG2 3.97Å; W317-I335 PolarHBondContact N-O 3.47Å; W317-I335 PolarHBondContact O-N 2.68Å; F333-I335 HydrophobicContact CD2-CB 4.19Å; F333-I335 HydrophobicContact CD2-CG2 4.34Å; F333-I335 HydrophobicContact CE2-CB 4.1Å; F333-I335 HydrophobicContact CE2-CG2 3.92Å; I335-R337 PolarHBondContact O-N 3.17Å; I335-E341 HydrophobicContact CD1-CB 4.36Å; I335-E341 HydrophobicContact CD1-CG 3.98Å; I335-E341 HydrophobicContact CG1-CB 4.11Å; I335-E341 HydrophobicContact CG1-CG 3.75Å; I335-C342 HydrophobicContact CD1-CB 4.26Å; I335-I344 HydrophobicContact CD1-CD1 4.33Å; I335-I344 HydrophobicContact CG2-CD1 3.46Å; I335-I344 VanDerWaalsContact CG2-CD1 3.46Å
336	V	97.1	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	135.7	-179.4	175.4	0	0	0	0	111.2	I288 Y289 Q290 M314 Y339 E341	I288-V336 HydrophobicContact CG2-CB 4.41Å; I288-V336 HydrophobicContact CG2-CG2 3.66Å; Y289-V336 PolarHBondContact O-N 3.08Å; Y289-V336 VanDerWaalsContact O-N 3.14Å; Q290-V336 HydrophobicContact CB-CG2 3.94Å; Q290-V336 HydrophobicContact CG-CG2 4.45Å; M314-V336 HydrophobicContact CE-CG1 4.25Å; M314-V336 HydrophobicContact CE-CG2 3.63Å; V336-Y339 HydrophobicContact CG1-CD2 3.5Å; V336-Y339 VanDerWaalsContact CG1-CD2 3.5Å; V336-Y339 HydrophobicContact CG1-CE2 4.29Å; V336-Y339 HydrophobicContact CG1-CG 4.21Å; V336-E341 HydrophobicContact CB-CB 3.94Å; V336-E341 HydrophobicContact CB-CG 4.14Å
337	R	96.9	Very high	96.2	Very high	22 Å²	22	34.9 Å²	34.9	8%	0.083	18%	0.179	C	C	.	.			trans	-111.7	147.9	176.5	169.4	174.1	65.2	77.1	-0.3	110.4	V258 G309 E310 P315 Y316 W317 I335 Y339 E345	V258-R337 HydrophobicContact CG1-CG 4.13Å; G309-R337 PolarHBondContact O-NH2 2.98Å; E310-R337 IonicContact OE1-NH2 2.65Å; P315-R337 HydrophobicContact CB-CB 4.26Å; P315-R337 VanDerWaalsContact CG-O 3.23Å; P315-R337 WeakPolarHBondContact CG-O 3.47Å; P315-R337 PolarHBondContact O-N 3.4Å; Y316-R337 PolarHBondContact O-NE 3.16Å; W317-R337 HydrophobicContact CD2-CB 4.12Å; W317-R337 HydrophobicContact CD2-CG 3.94Å; W317-R337 VanDerWaalsContact CE2-CD 3.41Å; W317-R337 HydrophobicContact CG-CB 3.97Å; W317-R337 HydrophobicContact CG-CG 4.32Å; W317-R337 HydrophobicContact CH2-CG 4.34Å; W317-R337 VanDerWaalsContact CZ2-CD 3.46Å; W317-R337 HydrophobicContact CZ2-CG 3.64Å; I335-R337 PolarHBondContact O-N 3.17Å; R337-Y339 WeakPolarHBondContact O-CD2 3.28Å; R337-E345 WeakPolarHBondContact CA-OE1 3.45Å
338	G	94.5	Very high	95.7	Very high	45 Å²	45	36.7 Å²	36.7	46%	0.464	19%	0.188	S	C	.	.	S	Bend	trans	90.8	0.9	176.9	0	0	0	0	0	114.6	E345	G338-E345 PolarHBondContact N-OE1 2.74Å
339	Y	94.4	Very high	95.5	Very high	166 Å²	166	36.1 Å²	36.1	65%	0.651	18%	0.182	S	C	*	.	S	Bend	trans	-128.1	10.3	-175.9	-64.2	-87.1	0	0	0	112.5	V336 R337 E341 E345	V336-Y339 HydrophobicContact CG1-CD2 3.5Å; V336-Y339 VanDerWaalsContact CG1-CD2 3.5Å; V336-Y339 HydrophobicContact CG1-CE2 4.29Å; V336-Y339 HydrophobicContact CG1-CG 4.21Å; R337-Y339 WeakPolarHBondContact O-CD2 3.28Å; Y339-E341 PolarHBondContact O-N 2.87Å; Y339-E341 VanDerWaalsContact O-N 3.16Å; Y339-E345 PolarHBondContact N-OE2 2.76Å
340	D	95.4	Very high	95.4	Very high	57 Å²	57	33.9 Å²	33.9	31%	0.305	17%	0.171	S	C	.	.			trans	46.6	41.6	-172.4	-162.9	28.6	0	0	0	112.8	C342 G343 I344 E345 S346	D340-C342 PolarHBondContact O-N 3.3Å; D340-G343 WeakPolarHBondContact O-CA 3.38Å; D340-G343 PolarHBondContact O-N 3.32Å; D340-G343 WeakPolarHBondContact OD1-CA 3.46Å; D340-I344 PolarHBondContact OD1-N 3.4Å; D340-E345 WeakPolarHBondContact CA-OE2 3.19Å; D340-E345 HydrophobicContact CB-CB 4.3Å; D340-E345 PolarHBondContact N-OE2 2.86Å; D340-E345 WeakPolarHBondContact OD1-CA 3.41Å; D340-E345 WeakPolarHBondContact OD1-CB 3.46Å; D340-E345 PolarHBondContact OD1-N 2.97Å; D340-S346 VanDerWaalsContact CG-OG 3.31Å; D340-S346 PolarHBondContact OD1-N 3.39Å; D340-S346 PolarHBondContact OD1-OG 2.94Å; D340-S346 VanDerWaalsContact OD2-CB 3.27Å; D340-S346 WeakPolarHBondContact OD2-CB 3.34Å; D340-S346 PolarHBondContact OD2-OG 3.36Å
341	E	96.8	Very high	95.3	Very high	26 Å²	26	25.7 Å²	25.7	12%	0.121	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-56.8	125.3	-175.8	179.7	60.7	-147.1	0	0	109.8	R291 I335 V336 Y339 G343 I344	R291-E341 WeakPolarHBondContact CB-OE1 3.29Å; R291-E341 PolarHBondContact N-OE1 3.17Å; I335-E341 HydrophobicContact CD1-CB 4.36Å; I335-E341 HydrophobicContact CD1-CG 3.98Å; I335-E341 HydrophobicContact CG1-CB 4.11Å; I335-E341 HydrophobicContact CG1-CG 3.75Å; V336-E341 HydrophobicContact CB-CB 3.94Å; V336-E341 HydrophobicContact CB-CG 4.14Å; Y339-E341 PolarHBondContact O-N 2.87Å; Y339-E341 VanDerWaalsContact O-N 3.16Å; E341-G343 PolarHBondContact O-N 3.26Å; E341-I344 WeakPolarHBondContact O-CG2 3.35Å; E341-I344 PolarHBondContact O-N 3.24Å; E341-I344 VanDerWaalsContact O-N 3.1Å
342	C	96.3	Very high	95.3	Very high	12 Å²	12	25.7 Å²	25.7	8%	0.081	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	54.9	18.6	-173.5	-64.4	0	0	0	0	114.9	L275 R276 I335 D340	L275-C342 HydrophobicContact CB-CB 4.35Å; R276-C342 HydrophobicContact CB-CB 4.41Å; R276-C342 WeakPolarHBondContact CB-O 3.47Å; R276-C342 PolarHBondContact N-O 3.42Å; R276-C342 WeakPolarHBondContact O-CB 3.04Å; I335-C342 HydrophobicContact CD1-CB 4.26Å; D340-C342 PolarHBondContact O-N 3.3Å
343	G	95.4	Very high	95.2	Very high	2 Å²	2	28 Å²	28	2%	0.021	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	79.1	11.6	-177.2	0	0	0	0	0	115	D340 E341 E345 S346 M347	D340-G343 WeakPolarHBondContact O-CA 3.38Å; D340-G343 PolarHBondContact O-N 3.32Å; D340-G343 WeakPolarHBondContact OD1-CA 3.46Å; E341-G343 PolarHBondContact O-N 3.26Å; G343-E345 PolarHBondContact O-N 3.21Å; G343-S346 PolarHBondContact O-N 3.43Å; G343-S346 PolarHBondContact O-OG 2.82Å; G343-M347 WeakPolarHBondContact O-CB 3.39Å; G343-M347 WeakPolarHBondContact O-CG 3.38Å; G343-M347 PolarHBondContact O-N 3.16Å
344	I	96	Very high	95	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.5	-169.7	-162.6	169.9	0	0	0	114.7	V273 A274 L275 L305 I335 D340 E341	V273-I344 HydrophobicContact CB-CG1 4.06Å; V273-I344 HydrophobicContact CG2-CD1 3.91Å; V273-I344 HydrophobicContact CG2-CG1 3.58Å; A274-I344 WeakPolarHBondContact O-CA 3.4Å; L275-I344 HydrophobicContact CB-CB 4.46Å; L305-I344 HydrophobicContact CD1-CD1 4.37Å; I335-I344 HydrophobicContact CD1-CD1 4.33Å; I335-I344 HydrophobicContact CG2-CD1 3.46Å; I335-I344 VanDerWaalsContact CG2-CD1 3.46Å; D340-I344 PolarHBondContact OD1-N 3.4Å; E341-I344 WeakPolarHBondContact O-CG2 3.35Å; E341-I344 PolarHBondContact O-N 3.24Å; E341-I344 VanDerWaalsContact O-N 3.1Å
345	E	95	Very high	94.5	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.089	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-27.2	-176.9	-58.3	175.2	158.7	0	0	111.8	V258 I261 W317 R337 G338 Y339 D340 G343	V258-E345 HydrophobicContact CG2-CG 4.36Å; I261-E345 HydrophobicContact CD1-CB 4.45Å; W317-E345 PolarHBondContact NE1-OE1 3.43Å; R337-E345 WeakPolarHBondContact CA-OE1 3.45Å; G338-E345 PolarHBondContact N-OE1 2.74Å; Y339-E345 PolarHBondContact N-OE2 2.76Å; D340-E345 WeakPolarHBondContact CA-OE2 3.19Å; D340-E345 HydrophobicContact CB-CB 4.3Å; D340-E345 PolarHBondContact N-OE2 2.86Å; D340-E345 WeakPolarHBondContact OD1-CA 3.41Å; D340-E345 WeakPolarHBondContact OD1-CB 3.46Å; D340-E345 PolarHBondContact OD1-N 2.97Å; G343-E345 PolarHBondContact O-N 3.21Å
346	S	90.9	Very high	94.3	Very high	72 Å²	72	35.4 Å²	35.4	50%	0.503	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-25.5	177.4	59.9	0	0	0	0	113.7	D340 G343 M348	D340-S346 VanDerWaalsContact CG-OG 3.31Å; D340-S346 PolarHBondContact OD1-N 3.39Å; D340-S346 PolarHBondContact OD1-OG 2.94Å; D340-S346 VanDerWaalsContact OD2-CB 3.27Å; D340-S346 WeakPolarHBondContact OD2-CB 3.34Å; D340-S346 PolarHBondContact OD2-OG 3.36Å; G343-S346 PolarHBondContact O-N 3.43Å; G343-S346 PolarHBondContact O-OG 2.82Å; S346-M348 PolarHBondContact O-N 2.75Å; S346-M348 VanDerWaalsContact O-N 3.13Å
347	M	89.7	Confident	94.2	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-89.2	88.6	-171.5	-62.8	-177.4	70	0	0	111.9	I71 A274 R276 L300 G343	I71-M347 HydrophobicContact CD1-CE 3.36Å; A274-M347 HydrophobicContact CB-CB 4.02Å; A274-M347 PolarHBondContact N-O 3.37Å; R276-M347 HydrophobicContact CG-CE 4.31Å; R276-M347 HydrophobicContact CG-SD 3.83Å; L300-M347 HydrophobicContact CD1-CE 4.25Å; L300-M347 HydrophobicContact CD2-CE 3.5Å; L300-M347 VanDerWaalsContact CD2-CE 3.5Å; L300-M347 HydrophobicContact CG-CE 4.42Å; G343-M347 WeakPolarHBondContact O-CB 3.39Å; G343-M347 WeakPolarHBondContact O-CG 3.38Å; G343-M347 PolarHBondContact O-N 3.16Å
348	M	86.2	Confident	94	Very high	37 Å²	37	38.1 Å²	38.1	18%	0.182	19%	0.192	C	C	.	.			trans	52.5	53.3	172.9	-64.9	-178.8	-76.5	0	0	115.1	V69 I71 V272 A274 S346 C350	V69-M348 HydrophobicContact CG1-CE 3.22Å; I71-M348 HydrophobicContact CG1-CE 4.14Å; V272-M348 VanDerWaalsContact O-O 3.04Å; A274-M348 HydrophobicContact CB-CE 4.06Å; S346-M348 PolarHBondContact O-N 2.75Å; S346-M348 VanDerWaalsContact O-N 3.13Å; M348-C350 VanDerWaalsContact C-N 3.28Å; M348-C350 PolarHBondContact O-N 3.01Å; M348-C350 PolarHBondContact O-SG 2.8Å
349	P	93.7	Very high	94	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	18%	0.176	C	C	.	.			trans	-69.7	86.9	167.5	33.6	-38	0	0	0	109.9	C254 L255 I261 I271 V272 V273	C254-P349 CarbonylContact C-O 3.15Å; C254-P349 WeakPolarHBondContact CA-O 3.45Å; L255-P349 HydrophobicContact CB-CB 4.21Å; L255-P349 HydrophobicContact CB-CG 4.04Å; L255-P349 PolarHBondContact N-O 2.73Å; L255-P349 WeakPolarHBondContact O-CG 3.27Å; I261-P349 HydrophobicContact CD1-CB 3.8Å; I261-P349 HydrophobicContact CD1-CG 4.24Å; I261-P349 HydrophobicContact CG1-CB 3.93Å; I271-P349 HydrophobicContact CD1-CB 3.95Å; V272-P349 CarbonylContact O-C 3.43Å; V272-P349 VanDerWaalsContact O-CA 3.29Å; V272-P349 WeakPolarHBondContact O-CA 3.35Å; V273-P349 HydrophobicContact CG1-CB 3.93Å
350	C	95.1	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.1	-167.7	-52.9	0	0	0	0	112.5	F190 F253 C254 V272 M348	F190-C350 HydrophobicContact CD2-CB 4.34Å; F190-C350 HydrophobicContact CE2-CB 4.31Å; F190-C350 WeakPolarHBondContact CE2-O 3.14Å; F253-C350 WeakPolarHBondContact O-CA 3.21Å; F253-C350 WeakPolarHBondContact O-CB 3.3Å; C254-C350 HydrophobicContact CB-CB 4.12Å; C254-C350 WeakPolarHBondContact CB-SG 3.41Å; C254-C350 WeakPolarHBondContact SG-CB 3.37Å; C254-C350 CovalentContact SG-SG 2.04Å; C254-C350 PolarHBondContact SG-SG 3.25Å; V272-C350 PolarHBondContact N-O 2.84Å; V272-C350 PolarHBondContact O-N 2.89Å; M348-C350 VanDerWaalsContact C-N 3.28Å; M348-C350 PolarHBondContact O-N 3.01Å; M348-C350 PolarHBondContact O-SG 2.8Å
351	A	96.6	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	-177.8	173.5	0	0	0	0	0	111.6	R135 P252 F253 I271	R135-A351 VanDerWaalsContact NH1-CB 3.34Å; P252-A351 WeakPolarHBondContact CA-O 3.42Å; F253-A351 HydrophobicContact CE2-CB 4.31Å; F253-A351 HydrophobicContact CZ-CB 4.08Å; F253-A351 PolarHBondContact N-O 3.02Å; F253-A351 PolarHBondContact O-N 3.44Å; F253-A351 VanDerWaalsContact O-O 3.06Å; I271-A351 HydrophobicContact CB-CB 4.31Å; I271-A351 HydrophobicContact CG2-CB 3.92Å
352	A	96.2	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	165.5	165	0	0	0	0	0	109.3	R135 F190 W193 P252	R135-A352 WeakPolarHBondContact CD-O 3.36Å; R135-A352 PolarHBondContact NH1-O 2.96Å; F190-A352 HydrophobicContact CB-CB 4.11Å; F190-A352 HydrophobicContact CD1-CB 3.89Å; F190-A352 HydrophobicContact CG-CB 4.3Å; W193-A352 HydrophobicContact CE3-CB 3.83Å; W193-A352 HydrophobicContact CZ3-CB 3.82Å; P252-A352 HydrophobicContact CB-CB 4.19Å
353	Y	97.2	Very high	93.5	Very high	60 Å²	60	29.2 Å²	29.2	24%	0.235	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	151.6	170.4	-60.2	-74.6	0	0	0	110	G249 K250 Q251 F253 Q264 H268	G249-Y353 CarbonylContact C-O 3.6Å; G249-Y353 WeakPolarHBondContact CA-O 3.21Å; K250-Y353 PolarHBondContact N-O 2.92Å; K250-Y353 PolarHBondContact O-N 3.45Å; Q251-Y353 HydrophobicContact CB-CD2 4.17Å; F253-Y353 HydrophobicContact CD1-CD2 4.34Å; F253-Y353 AromaticContact CD1-CE2 3.84Å; F253-Y353 HydrophobicContact CD1-CE2 3.84Å; F253-Y353 AromaticContact CE1-CD2 3.79Å; F253-Y353 HydrophobicContact CE1-CD2 3.79Å; F253-Y353 HydrophobicContact CE1-CE1 4.17Å; F253-Y353 AromaticContact CE1-CE2 3.32Å; F253-Y353 HydrophobicContact CE1-CE2 3.32Å; F253-Y353 HydrophobicContact CE1-CG 4.4Å; F253-Y353 AromaticContact CE1-CZ 3.53Å; F253-Y353 HydrophobicContact CZ-CE1 4.42Å; F253-Y353 HydrophobicContact CZ-CE2 4.22Å; F253-Y353 AromaticContact CZ-CZ 3.97Å; Q264-Y353 PolarHBondContact NE2-OH 3.32Å; H268-Y353 HydrophobicContact CB-CE1 4.31Å; H268-Y353 AromaticContact CD2-CE1 3.87Å; H268-Y353 AromaticContact CG-CE1 3.74Å; H268-Y353 AromaticContact ND1-CE1 3.87Å
354	A	95.4	Very high	93.3	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	151.8	166.1	0	0	0	0	0	110	I136 A139 W193 K250	I136-A354 HydrophobicContact CB-CB 4.33Å; I136-A354 HydrophobicContact CG1-CB 3.84Å; A139-A354 HydrophobicContact CB-CB 3.82Å; W193-A354 HydrophobicContact CH2-CB 4.09Å; W193-A354 HydrophobicContact CZ2-CB 4.31Å; K250-A354 VanDerWaalsContact CE-O 3.25Å; K250-A354 WeakPolarHBondContact CE-O 3.34Å
355	Y	88.2	Confident	93.1	Very high	166 Å²	166	34.3 Å²	34.3	65%	0.651	16%	0.164	S	C	*	.			trans	-62.5	0	178.4	-119.1	-80.2	0	0	0	113.6	Y140 Y248 G249 K250	Y140-Y355 WeakPolarHBondContact CE2-O 3.33Å; Y140-Y355 PolarHBondContact OH-O 3.11Å; Y248-Y355 PolarHBondContact O-N 2.92Å; G249-Y355 WeakPolarHBondContact O-CD2 2.84Å; G249-Y355 VanDerWaalsContact O-CE2 3.27Å; G249-Y355 WeakPolarHBondContact O-CE2 3.44Å; K250-Y355 HydrophobicContact CB-CD2 3.98Å; K250-Y355 HydrophobicContact CB-CE2 3.81Å; K250-Y355 HydrophobicContact CD-CD1 4.38Å; K250-Y355 HydrophobicContact CD-CD2 4.5Å; K250-Y355 HydrophobicContact CD-CG 4.37Å; K250-Y355 PolarHBondContact NZ-OXT 2.88Å

Retrieved 355 of 355 residues in 222.5 ms (Link to these results)

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